data_11605 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11605 _Entry.Title ; Solution structure of the chromodomain of HP1alpha with the phosphorylated N-terminal tail ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-18 _Entry.Accession_date 2015-12-21 _Entry.Last_release_date 2015-12-21 _Entry.Original_release_date 2015-12-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ayumi Kawaguchi . . . . 11605 2 Yoshifumi Nishimura . . . . 11605 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 'not applicable' 'not applicable' . 11605 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chromodomain . 11605 hp1alpha . 11605 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11605 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 374 11605 '15N chemical shifts' 88 11605 '1H chemical shifts' 570 11605 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-09-01 2015-12-17 update BMRB 'update entry citation' 11605 1 . . 2021-07-16 2015-12-17 original author 'original release' 11605 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11604 'Solution structure of the chromodomain of HP1alpha with the N-terminal tail' 11605 BMRB 11606 'Solution structure of the chromodomain of HP1a with the phosphorylated N-terminal tail complexed with H3K9me3 peptide' 11605 PDB 2RVM 'BMRB Entry Tracking System' 11605 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 11605 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 26934956 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Extended string-like binding of the phosphorylated HP1? N-terminal tail to the lysine 9-methylated histone H3 tail ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 22527 _Citation.Page_last 22527 _Citation.Year 2016 _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 Hideaki Shimojo H. . . . 11605 1 2 Ayumi Kawaguchi A. . . . 11605 1 3 Takashi Oda T. . . . 11605 1 4 Nobuto Hashiguchi N. . . . 11605 1 5 Satoshi Omori S. . . . 11605 1 6 Kei Moritsugu K. . . . 11605 1 7 Akinori Kidera A. . . . 11605 1 8 Kyoko Hiragami-Hamada K. . . . 11605 1 9 Jun-Ichi Nakayama J. . . . 11605 1 10 Mamoru Sato M. . . . 11605 1 11 Yoshifumi Nishimura Y. . . . 11605 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11605 _Assembly.ID 1 _Assembly.Name 'Chromodomain of HP1alpha with the phosphorylated N-terminal tail' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 $entity A . yes native no no . . . 11605 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11605 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GSHMGKKTKRTADXXXXEDE EEYVVEKVLDRRMVKGQVEY LLKWKGFSEEHNTWEPEKNL DCPELISEFMKKYKKMKEGE NNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10169.125 _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 1 GLY . 11605 1 2 2 SER . 11605 1 3 3 HIS . 11605 1 4 4 MET . 11605 1 5 5 GLY . 11605 1 6 6 LYS . 11605 1 7 7 LYS . 11605 1 8 8 THR . 11605 1 9 9 LYS . 11605 1 10 10 ARG . 11605 1 11 11 THR . 11605 1 12 12 ALA . 11605 1 13 13 ASP . 11605 1 14 14 SEP . 11605 1 15 15 SEP . 11605 1 16 16 SEP . 11605 1 17 17 SEP . 11605 1 18 18 GLU . 11605 1 19 19 ASP . 11605 1 20 20 GLU . 11605 1 21 21 GLU . 11605 1 22 22 GLU . 11605 1 23 23 TYR . 11605 1 24 24 VAL . 11605 1 25 25 VAL . 11605 1 26 26 GLU . 11605 1 27 27 LYS . 11605 1 28 28 VAL . 11605 1 29 29 LEU . 11605 1 30 30 ASP . 11605 1 31 31 ARG . 11605 1 32 32 ARG . 11605 1 33 33 MET . 11605 1 34 34 VAL . 11605 1 35 35 LYS . 11605 1 36 36 GLY . 11605 1 37 37 GLN . 11605 1 38 38 VAL . 11605 1 39 39 GLU . 11605 1 40 40 TYR . 11605 1 41 41 LEU . 11605 1 42 42 LEU . 11605 1 43 43 LYS . 11605 1 44 44 TRP . 11605 1 45 45 LYS . 11605 1 46 46 GLY . 11605 1 47 47 PHE . 11605 1 48 48 SER . 11605 1 49 49 GLU . 11605 1 50 50 GLU . 11605 1 51 51 HIS . 11605 1 52 52 ASN . 11605 1 53 53 THR . 11605 1 54 54 TRP . 11605 1 55 55 GLU . 11605 1 56 56 PRO . 11605 1 57 57 GLU . 11605 1 58 58 LYS . 11605 1 59 59 ASN . 11605 1 60 60 LEU . 11605 1 61 61 ASP . 11605 1 62 62 CYS . 11605 1 63 63 PRO . 11605 1 64 64 GLU . 11605 1 65 65 LEU . 11605 1 66 66 ILE . 11605 1 67 67 SER . 11605 1 68 68 GLU . 11605 1 69 69 PHE . 11605 1 70 70 MET . 11605 1 71 71 LYS . 11605 1 72 72 LYS . 11605 1 73 73 TYR . 11605 1 74 74 LYS . 11605 1 75 75 LYS . 11605 1 76 76 MET . 11605 1 77 77 LYS . 11605 1 78 78 GLU . 11605 1 79 79 GLY . 11605 1 80 80 GLU . 11605 1 81 81 ASN . 11605 1 82 82 ASN . 11605 1 83 83 LYS . 11605 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 . GLY 1 1 11605 1 . SER 2 2 11605 1 . HIS 3 3 11605 1 . MET 4 4 11605 1 . GLY 5 5 11605 1 . LYS 6 6 11605 1 . LYS 7 7 11605 1 . THR 8 8 11605 1 . LYS 9 9 11605 1 . ARG 10 10 11605 1 . THR 11 11 11605 1 . ALA 12 12 11605 1 . ASP 13 13 11605 1 . SEP 14 14 11605 1 . SEP 15 15 11605 1 . SEP 16 16 11605 1 . SEP 17 17 11605 1 . GLU 18 18 11605 1 . ASP 19 19 11605 1 . GLU 20 20 11605 1 . GLU 21 21 11605 1 . GLU 22 22 11605 1 . TYR 23 23 11605 1 . VAL 24 24 11605 1 . VAL 25 25 11605 1 . GLU 26 26 11605 1 . LYS 27 27 11605 1 . VAL 28 28 11605 1 . LEU 29 29 11605 1 . ASP 30 30 11605 1 . ARG 31 31 11605 1 . ARG 32 32 11605 1 . MET 33 33 11605 1 . VAL 34 34 11605 1 . LYS 35 35 11605 1 . GLY 36 36 11605 1 . GLN 37 37 11605 1 . VAL 38 38 11605 1 . GLU 39 39 11605 1 . TYR 40 40 11605 1 . LEU 41 41 11605 1 . LEU 42 42 11605 1 . LYS 43 43 11605 1 . TRP 44 44 11605 1 . LYS 45 45 11605 1 . GLY 46 46 11605 1 . PHE 47 47 11605 1 . SER 48 48 11605 1 . GLU 49 49 11605 1 . GLU 50 50 11605 1 . HIS 51 51 11605 1 . ASN 52 52 11605 1 . THR 53 53 11605 1 . TRP 54 54 11605 1 . GLU 55 55 11605 1 . PRO 56 56 11605 1 . GLU 57 57 11605 1 . LYS 58 58 11605 1 . ASN 59 59 11605 1 . LEU 60 60 11605 1 . ASP 61 61 11605 1 . CYS 62 62 11605 1 . PRO 63 63 11605 1 . GLU 64 64 11605 1 . LEU 65 65 11605 1 . ILE 66 66 11605 1 . SER 67 67 11605 1 . GLU 68 68 11605 1 . PHE 69 69 11605 1 . MET 70 70 11605 1 . LYS 71 71 11605 1 . LYS 72 72 11605 1 . TYR 73 73 11605 1 . LYS 74 74 11605 1 . LYS 75 75 11605 1 . MET 76 76 11605 1 . LYS 77 77 11605 1 . GLU 78 78 11605 1 . GLY 79 79 11605 1 . GLU 80 80 11605 1 . ASN 81 81 11605 1 . ASN 82 82 11605 1 . LYS 83 83 11605 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11605 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 11605 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 11605 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pCold . . 'For phosphorylation of Ser the expression with pRSFduet (CK2)' 11605 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 11605 _Chem_comp.ID SEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOSERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SEP _Chem_comp.PDB_code SEP _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 S _Chem_comp.Three_letter_code SEP _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 11 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 _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 SER _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 PHOSPHONOSERINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H8 N O6 P' _Chem_comp.Formula_weight 185.072 _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 1BX6 _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 BZQFBWGGLXLEPQ-REOHCLBHSA-N InChIKey InChI 1.03 11605 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 11605 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11605 SEP InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 InChI InChI 1.03 11605 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 11605 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 11605 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 11605 SEP 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 '(2S)-2-amino-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11605 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 11605 SEP 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 N N N N . N . . N 0 . . . 1 no no . . . . 12.751 . 44.134 . -4.949 . 1.855 0.421 1.751 1 . 11605 SEP CA CA CA CA . C . . S 0 . . . 1 no no . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 11605 SEP CB CB CB CB . C . . N 0 . . . 1 no no . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 11605 SEP OG OG OG OG . O . . N 0 . . . 1 no no . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 11605 SEP C C C C . C . . N 0 . . . 1 no no . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 11605 SEP O O O O . O . . N 0 . . . 1 no no . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 11605 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 11605 SEP P P P P . P . . N 0 . . . 1 no no . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 11605 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 11605 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 11605 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 11605 SEP H H H H . H . . N 0 . . . 1 no no . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 11605 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 11605 SEP HA HA HA HA . H . . N 0 . . . 1 no no . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 11605 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 11605 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 11605 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 11605 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 11605 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 11605 SEP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 11605 SEP 2 . SING N H no N 2 . 11605 SEP 3 . SING N H2 no N 3 . 11605 SEP 4 . SING CA CB no N 4 . 11605 SEP 5 . SING CA C no N 5 . 11605 SEP 6 . SING CA HA no N 6 . 11605 SEP 7 . SING CB OG no N 7 . 11605 SEP 8 . SING CB HB2 no N 8 . 11605 SEP 9 . SING CB HB3 no N 9 . 11605 SEP 10 . SING OG P no N 10 . 11605 SEP 11 . DOUB C O no N 11 . 11605 SEP 12 . SING C OXT no N 12 . 11605 SEP 13 . SING OXT HXT no N 13 . 11605 SEP 14 . DOUB P O1P no N 14 . 11605 SEP 15 . SING P O2P no N 15 . 11605 SEP 16 . SING P O3P no N 16 . 11605 SEP 17 . SING O2P HOP2 no N 17 . 11605 SEP 18 . SING O3P HOP3 no N 18 . 11605 SEP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11605 _Sample.ID 1 _Sample.Name . _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 HP1alpha '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein . . . mM . . . . 11605 1 2 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11605 1 3 'sodium chloride' 'natural abundance' . . . . . salt 10 . . mM . . . . 11605 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 11605 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11605 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11605 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11605 _Sample.ID 2 _Sample.Name . _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 HP1alpha '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein . . . mM . . . . 11605 2 2 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11605 2 3 'sodium chloride' 'natural abundance' . . . . . salt 10 . . mM . . . . 11605 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 11605 2 5 D2O [U-2H] . . . . . solvent 100 . . % . . . . 11605 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11605 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 11605 1 pressure 1 . atm 11605 1 temperature 298 . K 11605 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11605 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11605 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 11605 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11605 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11605 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 11605 2 stop_ save_ save_Olivia _Software.Sf_category software _Software.Sf_framecode Olivia _Software.Entry_ID 11605 _Software.ID 3 _Software.Type . _Software.Name Olivia _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yokochi, M., Sekiguchi, S. and Inagaki, F.' . . 11605 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 11605 3 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 11605 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11605 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11605 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11605 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 11605 1 2 spectrometer_2 Bruker Avance . 700 . . . 11605 1 3 spectrometer_3 Bruker Avance . 600 . . . 11605 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 11605 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 8 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 10 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 11 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11605 1 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 11605 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 11605 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 11605 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 11605 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 11605 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '3D HNCO' 1 $sample_1 isotropic 11605 1 6 '3D HNCACB' 1 $sample_1 isotropic 11605 1 9 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11605 1 12 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11605 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 HIS HA H 1 4.638 0.040 . 1 . . . . A 0 HIS HA . 11605 1 2 . 1 . 1 3 3 HIS HB2 H 1 3.059 0.040 . 2 . . . . A 0 HIS HB2 . 11605 1 3 . 1 . 1 3 3 HIS HB3 H 1 3.117 0.040 . 2 . . . . A 0 HIS HB3 . 11605 1 4 . 1 . 1 3 3 HIS HD2 H 1 7.008 0.040 . 1 . . . . A 0 HIS HD2 . 11605 1 5 . 1 . 1 3 3 HIS C C 13 174.660 0.450 . 1 . . . . A 0 HIS C . 11605 1 6 . 1 . 1 3 3 HIS CA C 13 55.791 0.450 . 1 . . . . A 0 HIS CA . 11605 1 7 . 1 . 1 3 3 HIS CB C 13 29.362 0.450 . 1 . . . . A 0 HIS CB . 11605 1 8 . 1 . 1 3 3 HIS CD2 C 13 120.518 0.450 . 1 . . . . A 0 HIS CD2 . 11605 1 9 . 1 . 1 4 4 MET H H 1 8.442 0.040 . 1 . . . . A 1 MET H . 11605 1 10 . 1 . 1 4 4 MET HA H 1 4.414 0.040 . 1 . . . . A 1 MET HA . 11605 1 11 . 1 . 1 4 4 MET HB2 H 1 1.971 0.040 . 2 . . . . A 1 MET HB2 . 11605 1 12 . 1 . 1 4 4 MET HB3 H 1 1.971 0.040 . 2 . . . . A 1 MET HB3 . 11605 1 13 . 1 . 1 4 4 MET HG2 H 1 2.341 0.040 . 2 . . . . A 1 MET HG2 . 11605 1 14 . 1 . 1 4 4 MET HG3 H 1 2.341 0.040 . 2 . . . . A 1 MET HG3 . 11605 1 15 . 1 . 1 4 4 MET HE1 H 1 2.042 0.040 . 1 . . . . A 1 MET HE1 . 11605 1 16 . 1 . 1 4 4 MET HE2 H 1 2.042 0.040 . 1 . . . . A 1 MET HE2 . 11605 1 17 . 1 . 1 4 4 MET HE3 H 1 2.042 0.040 . 1 . . . . A 1 MET HE3 . 11605 1 18 . 1 . 1 4 4 MET C C 13 176.524 0.450 . 1 . . . . A 1 MET C . 11605 1 19 . 1 . 1 4 4 MET CA C 13 55.454 0.450 . 1 . . . . A 1 MET CA . 11605 1 20 . 1 . 1 4 4 MET CB C 13 32.982 0.450 . 1 . . . . A 1 MET CB . 11605 1 21 . 1 . 1 4 4 MET CG C 13 31.940 0.450 . 1 . . . . A 1 MET CG . 11605 1 22 . 1 . 1 4 4 MET CE C 13 15.664 0.450 . 1 . . . . A 1 MET CE . 11605 1 23 . 1 . 1 4 4 MET N N 15 121.214 0.450 . 1 . . . . A 1 MET N . 11605 1 24 . 1 . 1 5 5 GLY H H 1 8.565 0.040 . 1 . . . . A 2 GLY H . 11605 1 25 . 1 . 1 5 5 GLY HA2 H 1 3.939 0.040 . 2 . . . . A 2 GLY HA2 . 11605 1 26 . 1 . 1 5 5 GLY HA3 H 1 3.939 0.040 . 2 . . . . A 2 GLY HA3 . 11605 1 27 . 1 . 1 5 5 GLY C C 13 173.684 0.450 . 1 . . . . A 2 GLY C . 11605 1 28 . 1 . 1 5 5 GLY CA C 13 45.224 0.450 . 1 . . . . A 2 GLY CA . 11605 1 29 . 1 . 1 5 5 GLY N N 15 109.977 0.450 . 1 . . . . A 2 GLY N . 11605 1 30 . 1 . 1 6 6 LYS H H 1 8.176 0.040 . 1 . . . . A 3 LYS H . 11605 1 31 . 1 . 1 6 6 LYS HA H 1 4.330 0.040 . 1 . . . . A 3 LYS HA . 11605 1 32 . 1 . 1 6 6 LYS HB2 H 1 1.767 0.040 . 2 . . . . A 3 LYS HB2 . 11605 1 33 . 1 . 1 6 6 LYS HB3 H 1 1.767 0.040 . 2 . . . . A 3 LYS HB3 . 11605 1 34 . 1 . 1 6 6 LYS HG2 H 1 1.345 0.040 . 2 . . . . A 3 LYS HG2 . 11605 1 35 . 1 . 1 6 6 LYS HG3 H 1 1.345 0.040 . 2 . . . . A 3 LYS HG3 . 11605 1 36 . 1 . 1 6 6 LYS HD2 H 1 1.567 0.040 . 2 . . . . A 3 LYS HD2 . 11605 1 37 . 1 . 1 6 6 LYS HD3 H 1 1.632 0.040 . 2 . . . . A 3 LYS HD3 . 11605 1 38 . 1 . 1 6 6 LYS HE2 H 1 2.884 0.040 . 2 . . . . A 3 LYS HE2 . 11605 1 39 . 1 . 1 6 6 LYS HE3 H 1 2.884 0.040 . 2 . . . . A 3 LYS HE3 . 11605 1 40 . 1 . 1 6 6 LYS C C 13 176.535 0.450 . 1 . . . . A 3 LYS C . 11605 1 41 . 1 . 1 6 6 LYS CA C 13 56.219 0.450 . 1 . . . . A 3 LYS CA . 11605 1 42 . 1 . 1 6 6 LYS CB C 13 33.143 0.450 . 1 . . . . A 3 LYS CB . 11605 1 43 . 1 . 1 6 6 LYS CG C 13 24.408 0.450 . 1 . . . . A 3 LYS CG . 11605 1 44 . 1 . 1 6 6 LYS CD C 13 28.936 0.450 . 1 . . . . A 3 LYS CD . 11605 1 45 . 1 . 1 6 6 LYS CE C 13 42.143 0.450 . 1 . . . . A 3 LYS CE . 11605 1 46 . 1 . 1 6 6 LYS N N 15 120.927 0.450 . 1 . . . . A 3 LYS N . 11605 1 47 . 1 . 1 7 7 LYS H H 1 8.503 0.040 . 1 . . . . A 4 LYS H . 11605 1 48 . 1 . 1 7 7 LYS HA H 1 4.320 0.040 . 1 . . . . A 4 LYS HA . 11605 1 49 . 1 . 1 7 7 LYS HB2 H 1 1.806 0.040 . 2 . . . . A 4 LYS HB2 . 11605 1 50 . 1 . 1 7 7 LYS HB3 H 1 1.806 0.040 . 2 . . . . A 4 LYS HB3 . 11605 1 51 . 1 . 1 7 7 LYS HG2 H 1 1.270 0.040 . 2 . . . . A 4 LYS HG2 . 11605 1 52 . 1 . 1 7 7 LYS HG3 H 1 1.357 0.040 . 2 . . . . A 4 LYS HG3 . 11605 1 53 . 1 . 1 7 7 LYS HD2 H 1 1.561 0.040 . 2 . . . . A 4 LYS HD2 . 11605 1 54 . 1 . 1 7 7 LYS HD3 H 1 1.561 0.040 . 2 . . . . A 4 LYS HD3 . 11605 1 55 . 1 . 1 7 7 LYS HE2 H 1 2.924 0.040 . 2 . . . . A 4 LYS HE2 . 11605 1 56 . 1 . 1 7 7 LYS HE3 H 1 2.924 0.040 . 2 . . . . A 4 LYS HE3 . 11605 1 57 . 1 . 1 7 7 LYS C C 13 176.672 0.450 . 1 . . . . A 4 LYS C . 11605 1 58 . 1 . 1 7 7 LYS CA C 13 56.283 0.450 . 1 . . . . A 4 LYS CA . 11605 1 59 . 1 . 1 7 7 LYS CB C 13 33.081 0.450 . 1 . . . . A 4 LYS CB . 11605 1 60 . 1 . 1 7 7 LYS CG C 13 25.424 0.450 . 1 . . . . A 4 LYS CG . 11605 1 61 . 1 . 1 7 7 LYS CD C 13 28.481 0.450 . 1 . . . . A 4 LYS CD . 11605 1 62 . 1 . 1 7 7 LYS CE C 13 41.862 0.450 . 1 . . . . A 4 LYS CE . 11605 1 63 . 1 . 1 7 7 LYS N N 15 122.915 0.450 . 1 . . . . A 4 LYS N . 11605 1 64 . 1 . 1 8 8 THR H H 1 8.268 0.040 . 1 . . . . A 5 THR H . 11605 1 65 . 1 . 1 8 8 THR HA H 1 4.276 0.040 . 1 . . . . A 5 THR HA . 11605 1 66 . 1 . 1 8 8 THR HB H 1 4.128 0.040 . 1 . . . . A 5 THR HB . 11605 1 67 . 1 . 1 8 8 THR HG21 H 1 1.150 0.040 . 1 . . . . A 5 THR HG21 . 11605 1 68 . 1 . 1 8 8 THR HG22 H 1 1.150 0.040 . 1 . . . . A 5 THR HG22 . 11605 1 69 . 1 . 1 8 8 THR HG23 H 1 1.150 0.040 . 1 . . . . A 5 THR HG23 . 11605 1 70 . 1 . 1 8 8 THR C C 13 174.200 0.450 . 1 . . . . A 5 THR C . 11605 1 71 . 1 . 1 8 8 THR CA C 13 61.960 0.450 . 1 . . . . A 5 THR CA . 11605 1 72 . 1 . 1 8 8 THR CB C 13 69.745 0.450 . 1 . . . . A 5 THR CB . 11605 1 73 . 1 . 1 8 8 THR CG2 C 13 21.574 0.450 . 1 . . . . A 5 THR CG2 . 11605 1 74 . 1 . 1 8 8 THR N N 15 116.353 0.450 . 1 . . . . A 5 THR N . 11605 1 75 . 1 . 1 9 9 LYS H H 1 8.404 0.040 . 1 . . . . A 6 LYS H . 11605 1 76 . 1 . 1 9 9 LYS HA H 1 4.310 0.040 . 1 . . . . A 6 LYS HA . 11605 1 77 . 1 . 1 9 9 LYS HB2 H 1 1.706 0.040 . 2 . . . . A 6 LYS HB2 . 11605 1 78 . 1 . 1 9 9 LYS HB3 H 1 1.706 0.040 . 2 . . . . A 6 LYS HB3 . 11605 1 79 . 1 . 1 9 9 LYS HG2 H 1 1.280 0.040 . 2 . . . . A 6 LYS HG2 . 11605 1 80 . 1 . 1 9 9 LYS HG3 H 1 1.350 0.040 . 2 . . . . A 6 LYS HG3 . 11605 1 81 . 1 . 1 9 9 LYS HD2 H 1 1.573 0.040 . 2 . . . . A 6 LYS HD2 . 11605 1 82 . 1 . 1 9 9 LYS HD3 H 1 1.573 0.040 . 2 . . . . A 6 LYS HD3 . 11605 1 83 . 1 . 1 9 9 LYS HE2 H 1 2.907 0.040 . 2 . . . . A 6 LYS HE2 . 11605 1 84 . 1 . 1 9 9 LYS HE3 H 1 2.907 0.040 . 2 . . . . A 6 LYS HE3 . 11605 1 85 . 1 . 1 9 9 LYS C C 13 176.305 0.450 . 1 . . . . A 6 LYS C . 11605 1 86 . 1 . 1 9 9 LYS CA C 13 56.207 0.450 . 1 . . . . A 6 LYS CA . 11605 1 87 . 1 . 1 9 9 LYS CB C 13 33.095 0.450 . 1 . . . . A 6 LYS CB . 11605 1 88 . 1 . 1 9 9 LYS CG C 13 24.374 0.450 . 1 . . . . A 6 LYS CG . 11605 1 89 . 1 . 1 9 9 LYS CD C 13 29.271 0.450 . 1 . . . . A 6 LYS CD . 11605 1 90 . 1 . 1 9 9 LYS CE C 13 41.024 0.450 . 1 . . . . A 6 LYS CE . 11605 1 91 . 1 . 1 9 9 LYS N N 15 124.388 0.450 . 1 . . . . A 6 LYS N . 11605 1 92 . 1 . 1 10 10 ARG H H 1 8.862 0.040 . 1 . . . . A 7 ARG H . 11605 1 93 . 1 . 1 10 10 ARG HA H 1 4.342 0.040 . 1 . . . . A 7 ARG HA . 11605 1 94 . 1 . 1 10 10 ARG HB2 H 1 1.780 0.040 . 2 . . . . A 7 ARG HB2 . 11605 1 95 . 1 . 1 10 10 ARG HB3 H 1 1.780 0.040 . 2 . . . . A 7 ARG HB3 . 11605 1 96 . 1 . 1 10 10 ARG HG2 H 1 1.614 0.040 . 2 . . . . A 7 ARG HG2 . 11605 1 97 . 1 . 1 10 10 ARG HG3 H 1 1.614 0.040 . 2 . . . . A 7 ARG HG3 . 11605 1 98 . 1 . 1 10 10 ARG HD2 H 1 3.084 0.040 . 2 . . . . A 7 ARG HD2 . 11605 1 99 . 1 . 1 10 10 ARG HD3 H 1 3.084 0.040 . 2 . . . . A 7 ARG HD3 . 11605 1 100 . 1 . 1 10 10 ARG HE H 1 7.436 0.040 . 1 . . . . A 7 ARG HE . 11605 1 101 . 1 . 1 10 10 ARG C C 13 176.744 0.450 . 1 . . . . A 7 ARG C . 11605 1 102 . 1 . 1 10 10 ARG CA C 13 56.598 0.450 . 1 . . . . A 7 ARG CA . 11605 1 103 . 1 . 1 10 10 ARG CB C 13 31.075 0.450 . 1 . . . . A 7 ARG CB . 11605 1 104 . 1 . 1 10 10 ARG CG C 13 27.049 0.450 . 1 . . . . A 7 ARG CG . 11605 1 105 . 1 . 1 10 10 ARG CD C 13 42.722 0.450 . 1 . . . . A 7 ARG CD . 11605 1 106 . 1 . 1 10 10 ARG CZ C 13 159.454 0.450 . 1 . . . . A 7 ARG CZ . 11605 1 107 . 1 . 1 10 10 ARG N N 15 123.694 0.450 . 1 . . . . A 7 ARG N . 11605 1 108 . 1 . 1 10 10 ARG NE N 15 84.784 0.450 . 1 . . . . A 7 ARG NE . 11605 1 109 . 1 . 1 11 11 THR H H 1 8.436 0.040 . 1 . . . . A 8 THR H . 11605 1 110 . 1 . 1 11 11 THR HA H 1 4.356 0.040 . 1 . . . . A 8 THR HA . 11605 1 111 . 1 . 1 11 11 THR HB H 1 4.278 0.040 . 1 . . . . A 8 THR HB . 11605 1 112 . 1 . 1 11 11 THR HG21 H 1 1.178 0.040 . 1 . . . . A 8 THR HG21 . 11605 1 113 . 1 . 1 11 11 THR HG22 H 1 1.178 0.040 . 1 . . . . A 8 THR HG22 . 11605 1 114 . 1 . 1 11 11 THR HG23 H 1 1.178 0.040 . 1 . . . . A 8 THR HG23 . 11605 1 115 . 1 . 1 11 11 THR C C 13 174.441 0.450 . 1 . . . . A 8 THR C . 11605 1 116 . 1 . 1 11 11 THR CA C 13 61.646 0.450 . 1 . . . . A 8 THR CA . 11605 1 117 . 1 . 1 11 11 THR CB C 13 70.255 0.450 . 1 . . . . A 8 THR CB . 11605 1 118 . 1 . 1 11 11 THR CG2 C 13 21.679 0.450 . 1 . . . . A 8 THR CG2 . 11605 1 119 . 1 . 1 11 11 THR N N 15 114.334 0.450 . 1 . . . . A 8 THR N . 11605 1 120 . 1 . 1 12 12 ALA H H 1 8.443 0.040 . 1 . . . . A 9 ALA H . 11605 1 121 . 1 . 1 12 12 ALA HA H 1 4.270 0.040 . 1 . . . . A 9 ALA HA . 11605 1 122 . 1 . 1 12 12 ALA HB1 H 1 1.368 0.040 . 1 . . . . A 9 ALA HB1 . 11605 1 123 . 1 . 1 12 12 ALA HB2 H 1 1.368 0.040 . 1 . . . . A 9 ALA HB2 . 11605 1 124 . 1 . 1 12 12 ALA HB3 H 1 1.368 0.040 . 1 . . . . A 9 ALA HB3 . 11605 1 125 . 1 . 1 12 12 ALA C C 13 177.439 0.450 . 1 . . . . A 9 ALA C . 11605 1 126 . 1 . 1 12 12 ALA CA C 13 52.759 0.450 . 1 . . . . A 9 ALA CA . 11605 1 127 . 1 . 1 12 12 ALA CB C 13 19.066 0.450 . 1 . . . . A 9 ALA CB . 11605 1 128 . 1 . 1 12 12 ALA N N 15 124.069 0.450 . 1 . . . . A 9 ALA N . 11605 1 129 . 1 . 1 13 13 ASP H H 1 8.127 0.040 . 1 . . . . A 10 ASP H . 11605 1 130 . 1 . 1 13 13 ASP HA H 1 4.582 0.040 . 1 . . . . A 10 ASP HA . 11605 1 131 . 1 . 1 13 13 ASP HB2 H 1 2.582 0.040 . 2 . . . . A 10 ASP HB2 . 11605 1 132 . 1 . 1 13 13 ASP HB3 H 1 2.692 0.040 . 2 . . . . A 10 ASP HB3 . 11605 1 133 . 1 . 1 13 13 ASP CA C 13 54.245 0.450 . 1 . . . . A 10 ASP CA . 11605 1 134 . 1 . 1 13 13 ASP CB C 13 41.316 0.450 . 1 . . . . A 10 ASP CB . 11605 1 135 . 1 . 1 13 13 ASP N N 15 117.578 0.450 . 1 . . . . A 10 ASP N . 11605 1 136 . 1 . 1 14 14 SEP CA C 13 57.410 0.450 . 1 . . . . A 11 SEP CA . 11605 1 137 . 1 . 1 14 14 SEP CB C 13 66.299 0.450 . 1 . . . . A 11 SEP CB . 11605 1 138 . 1 . 1 14 14 SEP H H 1 8.239 0.040 . 1 . . . . A 11 SEP H . 11605 1 139 . 1 . 1 14 14 SEP HA H 1 4.549 0.040 . 1 . . . . A 11 SEP HA . 11605 1 140 . 1 . 1 14 14 SEP N N 15 115.652 0.450 . 1 . . . . A 11 SEP N . 11605 1 141 . 1 . 1 15 15 SEP CA C 13 57.524 0.450 . 1 . . . . A 12 SEP CA . 11605 1 142 . 1 . 1 15 15 SEP CB C 13 66.487 0.450 . 1 . . . . A 12 SEP CB . 11605 1 143 . 1 . 1 15 15 SEP H H 1 8.759 0.040 . 1 . . . . A 12 SEP H . 11605 1 144 . 1 . 1 15 15 SEP HA H 1 4.553 0.040 . 1 . . . . A 12 SEP HA . 11605 1 145 . 1 . 1 15 15 SEP N N 15 118.316 0.450 . 1 . . . . A 12 SEP N . 11605 1 146 . 1 . 1 16 16 SEP CA C 13 57.530 0.450 . 1 . . . . A 13 SEP CA . 11605 1 147 . 1 . 1 16 16 SEP CB C 13 66.464 0.450 . 1 . . . . A 13 SEP CB . 11605 1 148 . 1 . 1 16 16 SEP H H 1 8.845 0.040 . 1 . . . . A 13 SEP H . 11605 1 149 . 1 . 1 16 16 SEP HA H 1 4.558 0.040 . 1 . . . . A 13 SEP HA . 11605 1 150 . 1 . 1 16 16 SEP N N 15 118.685 0.450 . 1 . . . . A 13 SEP N . 11605 1 151 . 1 . 1 17 17 SEP C C 13 173.881 0.450 . 1 . . . . A 14 SEP C . 11605 1 152 . 1 . 1 17 17 SEP CA C 13 57.562 0.450 . 1 . . . . A 14 SEP CA . 11605 1 153 . 1 . 1 17 17 SEP CB C 13 66.467 0.450 . 1 . . . . A 14 SEP CB . 11605 1 154 . 1 . 1 17 17 SEP H H 1 8.768 0.040 . 1 . . . . A 14 SEP H . 11605 1 155 . 1 . 1 17 17 SEP HA H 1 4.543 0.040 . 1 . . . . A 14 SEP HA . 11605 1 156 . 1 . 1 17 17 SEP N N 15 118.355 0.450 . 1 . . . . A 14 SEP N . 11605 1 157 . 1 . 1 18 18 GLU H H 1 8.533 0.040 . 1 . . . . A 15 GLU H . 11605 1 158 . 1 . 1 18 18 GLU HA H 1 4.235 0.040 . 1 . . . . A 15 GLU HA . 11605 1 159 . 1 . 1 18 18 GLU HB2 H 1 1.845 0.040 . 2 . . . . A 15 GLU HB2 . 11605 1 160 . 1 . 1 18 18 GLU HB3 H 1 1.845 0.040 . 2 . . . . A 15 GLU HB3 . 11605 1 161 . 1 . 1 18 18 GLU HG2 H 1 2.195 0.040 . 2 . . . . A 15 GLU HG2 . 11605 1 162 . 1 . 1 18 18 GLU HG3 H 1 2.195 0.040 . 2 . . . . A 15 GLU HG3 . 11605 1 163 . 1 . 1 18 18 GLU C C 13 175.965 0.450 . 1 . . . . A 15 GLU C . 11605 1 164 . 1 . 1 18 18 GLU CA C 13 56.184 0.450 . 1 . . . . A 15 GLU CA . 11605 1 165 . 1 . 1 18 18 GLU CB C 13 30.844 0.450 . 1 . . . . A 15 GLU CB . 11605 1 166 . 1 . 1 18 18 GLU CG C 13 35.543 0.450 . 1 . . . . A 15 GLU CG . 11605 1 167 . 1 . 1 18 18 GLU N N 15 122.459 0.450 . 1 . . . . A 15 GLU N . 11605 1 168 . 1 . 1 19 19 ASP H H 1 8.454 0.040 . 1 . . . . A 16 ASP H . 11605 1 169 . 1 . 1 19 19 ASP HA H 1 4.216 0.040 . 1 . . . . A 16 ASP HA . 11605 1 170 . 1 . 1 19 19 ASP HB2 H 1 2.705 0.040 . 2 . . . . A 16 ASP HB2 . 11605 1 171 . 1 . 1 19 19 ASP HB3 H 1 2.559 0.040 . 2 . . . . A 16 ASP HB3 . 11605 1 172 . 1 . 1 19 19 ASP C C 13 176.112 0.450 . 1 . . . . A 16 ASP C . 11605 1 173 . 1 . 1 19 19 ASP CA C 13 54.269 0.450 . 1 . . . . A 16 ASP CA . 11605 1 174 . 1 . 1 19 19 ASP CB C 13 41.297 0.450 . 1 . . . . A 16 ASP CB . 11605 1 175 . 1 . 1 19 19 ASP N N 15 122.178 0.450 . 1 . . . . A 16 ASP N . 11605 1 176 . 1 . 1 20 20 GLU H H 1 8.380 0.040 . 1 . . . . A 17 GLU H . 11605 1 177 . 1 . 1 20 20 GLU HA H 1 4.251 0.040 . 1 . . . . A 17 GLU HA . 11605 1 178 . 1 . 1 20 20 GLU HB2 H 1 1.841 0.040 . 2 . . . . A 17 GLU HB2 . 11605 1 179 . 1 . 1 20 20 GLU HB3 H 1 2.013 0.040 . 2 . . . . A 17 GLU HB3 . 11605 1 180 . 1 . 1 20 20 GLU HG2 H 1 2.211 0.040 . 2 . . . . A 17 GLU HG2 . 11605 1 181 . 1 . 1 20 20 GLU HG3 H 1 2.211 0.040 . 2 . . . . A 17 GLU HG3 . 11605 1 182 . 1 . 1 20 20 GLU C C 13 176.305 0.450 . 1 . . . . A 17 GLU C . 11605 1 183 . 1 . 1 20 20 GLU CA C 13 56.181 0.450 . 1 . . . . A 17 GLU CA . 11605 1 184 . 1 . 1 20 20 GLU CB C 13 30.617 0.450 . 1 . . . . A 17 GLU CB . 11605 1 185 . 1 . 1 20 20 GLU CG C 13 35.228 0.450 . 1 . . . . A 17 GLU CG . 11605 1 186 . 1 . 1 20 20 GLU N N 15 121.562 0.450 . 1 . . . . A 17 GLU N . 11605 1 187 . 1 . 1 21 21 GLU H H 1 8.332 0.040 . 1 . . . . A 18 GLU H . 11605 1 188 . 1 . 1 21 21 GLU HA H 1 4.259 0.040 . 1 . . . . A 18 GLU HA . 11605 1 189 . 1 . 1 21 21 GLU HB2 H 1 2.013 0.040 . 2 . . . . A 18 GLU HB2 . 11605 1 190 . 1 . 1 21 21 GLU HB3 H 1 1.822 0.040 . 2 . . . . A 18 GLU HB3 . 11605 1 191 . 1 . 1 21 21 GLU HG2 H 1 2.221 0.040 . 2 . . . . A 18 GLU HG2 . 11605 1 192 . 1 . 1 21 21 GLU HG3 H 1 2.221 0.040 . 2 . . . . A 18 GLU HG3 . 11605 1 193 . 1 . 1 21 21 GLU C C 13 175.428 0.450 . 1 . . . . A 18 GLU C . 11605 1 194 . 1 . 1 21 21 GLU CA C 13 56.245 0.450 . 1 . . . . A 18 GLU CA . 11605 1 195 . 1 . 1 21 21 GLU CB C 13 30.234 0.450 . 1 . . . . A 18 GLU CB . 11605 1 196 . 1 . 1 21 21 GLU CG C 13 36.224 0.450 . 1 . . . . A 18 GLU CG . 11605 1 197 . 1 . 1 21 21 GLU N N 15 121.817 0.450 . 1 . . . . A 18 GLU N . 11605 1 198 . 1 . 1 22 22 GLU H H 1 8.252 0.040 . 1 . . . . A 19 GLU H . 11605 1 199 . 1 . 1 22 22 GLU HA H 1 4.298 0.040 . 1 . . . . A 19 GLU HA . 11605 1 200 . 1 . 1 22 22 GLU HB2 H 1 1.791 0.040 . 2 . . . . A 19 GLU HB2 . 11605 1 201 . 1 . 1 22 22 GLU HB3 H 1 1.791 0.040 . 2 . . . . A 19 GLU HB3 . 11605 1 202 . 1 . 1 22 22 GLU HG2 H 1 2.149 0.040 . 2 . . . . A 19 GLU HG2 . 11605 1 203 . 1 . 1 22 22 GLU HG3 H 1 2.149 0.040 . 2 . . . . A 19 GLU HG3 . 11605 1 204 . 1 . 1 22 22 GLU C C 13 175.757 0.450 . 1 . . . . A 19 GLU C . 11605 1 205 . 1 . 1 22 22 GLU CA C 13 56.128 0.450 . 1 . . . . A 19 GLU CA . 11605 1 206 . 1 . 1 22 22 GLU CB C 13 30.930 0.450 . 1 . . . . A 19 GLU CB . 11605 1 207 . 1 . 1 22 22 GLU CG C 13 36.233 0.450 . 1 . . . . A 19 GLU CG . 11605 1 208 . 1 . 1 22 22 GLU N N 15 121.691 0.450 . 1 . . . . A 19 GLU N . 11605 1 209 . 1 . 1 23 23 TYR H H 1 8.504 0.040 . 1 . . . . A 20 TYR H . 11605 1 210 . 1 . 1 23 23 TYR HA H 1 4.511 0.040 . 1 . . . . A 20 TYR HA . 11605 1 211 . 1 . 1 23 23 TYR HB2 H 1 2.280 0.040 . 2 . . . . A 20 TYR HB2 . 11605 1 212 . 1 . 1 23 23 TYR HB3 H 1 2.280 0.040 . 2 . . . . A 20 TYR HB3 . 11605 1 213 . 1 . 1 23 23 TYR HD1 H 1 6.297 0.040 . 1 . . . . A 20 TYR HD1 . 11605 1 214 . 1 . 1 23 23 TYR HD2 H 1 6.297 0.040 . 1 . . . . A 20 TYR HD2 . 11605 1 215 . 1 . 1 23 23 TYR HE1 H 1 6.063 0.040 . 1 . . . . A 20 TYR HE1 . 11605 1 216 . 1 . 1 23 23 TYR HE2 H 1 6.063 0.040 . 1 . . . . A 20 TYR HE2 . 11605 1 217 . 1 . 1 23 23 TYR C C 13 174.807 0.450 . 1 . . . . A 20 TYR C . 11605 1 218 . 1 . 1 23 23 TYR CA C 13 57.761 0.450 . 1 . . . . A 20 TYR CA . 11605 1 219 . 1 . 1 23 23 TYR CB C 13 38.668 0.450 . 1 . . . . A 20 TYR CB . 11605 1 220 . 1 . 1 23 23 TYR CD1 C 13 132.724 0.450 . 1 . . . . A 20 TYR CD1 . 11605 1 221 . 1 . 1 23 23 TYR CD2 C 13 132.724 0.450 . 1 . . . . A 20 TYR CD2 . 11605 1 222 . 1 . 1 23 23 TYR CE1 C 13 118.205 0.450 . 1 . . . . A 20 TYR CE1 . 11605 1 223 . 1 . 1 23 23 TYR CE2 C 13 118.205 0.450 . 1 . . . . A 20 TYR CE2 . 11605 1 224 . 1 . 1 23 23 TYR N N 15 123.615 0.450 . 1 . . . . A 20 TYR N . 11605 1 225 . 1 . 1 24 24 VAL H H 1 9.415 0.040 . 1 . . . . A 21 VAL H . 11605 1 226 . 1 . 1 24 24 VAL HA H 1 4.498 0.040 . 1 . . . . A 21 VAL HA . 11605 1 227 . 1 . 1 24 24 VAL HB H 1 2.009 0.040 . 1 . . . . A 21 VAL HB . 11605 1 228 . 1 . 1 24 24 VAL HG11 H 1 0.990 0.040 . 2 . . . . A 21 VAL HG11 . 11605 1 229 . 1 . 1 24 24 VAL HG12 H 1 0.990 0.040 . 2 . . . . A 21 VAL HG12 . 11605 1 230 . 1 . 1 24 24 VAL HG13 H 1 0.990 0.040 . 2 . . . . A 21 VAL HG13 . 11605 1 231 . 1 . 1 24 24 VAL HG21 H 1 0.948 0.040 . 2 . . . . A 21 VAL HG21 . 11605 1 232 . 1 . 1 24 24 VAL HG22 H 1 0.948 0.040 . 2 . . . . A 21 VAL HG22 . 11605 1 233 . 1 . 1 24 24 VAL HG23 H 1 0.948 0.040 . 2 . . . . A 21 VAL HG23 . 11605 1 234 . 1 . 1 24 24 VAL C C 13 175.537 0.450 . 1 . . . . A 21 VAL C . 11605 1 235 . 1 . 1 24 24 VAL CA C 13 61.188 0.450 . 1 . . . . A 21 VAL CA . 11605 1 236 . 1 . 1 24 24 VAL CB C 13 34.770 0.450 . 1 . . . . A 21 VAL CB . 11605 1 237 . 1 . 1 24 24 VAL CG1 C 13 21.164 0.450 . 1 . . . . A 21 VAL CG1 . 11605 1 238 . 1 . 1 24 24 VAL CG2 C 13 21.162 0.450 . 1 . . . . A 21 VAL CG2 . 11605 1 239 . 1 . 1 24 24 VAL N N 15 125.720 0.450 . 1 . . . . A 21 VAL N . 11605 1 240 . 1 . 1 25 25 VAL H H 1 8.891 0.040 . 1 . . . . A 22 VAL H . 11605 1 241 . 1 . 1 25 25 VAL HA H 1 3.365 0.040 . 1 . . . . A 22 VAL HA . 11605 1 242 . 1 . 1 25 25 VAL HB H 1 1.757 0.040 . 1 . . . . A 22 VAL HB . 11605 1 243 . 1 . 1 25 25 VAL HG11 H 1 0.527 0.040 . 2 . . . . A 22 VAL HG11 . 11605 1 244 . 1 . 1 25 25 VAL HG12 H 1 0.527 0.040 . 2 . . . . A 22 VAL HG12 . 11605 1 245 . 1 . 1 25 25 VAL HG13 H 1 0.527 0.040 . 2 . . . . A 22 VAL HG13 . 11605 1 246 . 1 . 1 25 25 VAL HG21 H 1 0.686 0.040 . 2 . . . . A 22 VAL HG21 . 11605 1 247 . 1 . 1 25 25 VAL HG22 H 1 0.686 0.040 . 2 . . . . A 22 VAL HG22 . 11605 1 248 . 1 . 1 25 25 VAL HG23 H 1 0.686 0.040 . 2 . . . . A 22 VAL HG23 . 11605 1 249 . 1 . 1 25 25 VAL C C 13 174.770 0.450 . 1 . . . . A 22 VAL C . 11605 1 250 . 1 . 1 25 25 VAL CA C 13 64.715 0.450 . 1 . . . . A 22 VAL CA . 11605 1 251 . 1 . 1 25 25 VAL CB C 13 32.647 0.450 . 1 . . . . A 22 VAL CB . 11605 1 252 . 1 . 1 25 25 VAL CG1 C 13 22.608 0.450 . 1 . . . . A 22 VAL CG1 . 11605 1 253 . 1 . 1 25 25 VAL CG2 C 13 22.985 0.450 . 1 . . . . A 22 VAL CG2 . 11605 1 254 . 1 . 1 25 25 VAL N N 15 129.152 0.450 . 1 . . . . A 22 VAL N . 11605 1 255 . 1 . 1 26 26 GLU H H 1 9.334 0.040 . 1 . . . . A 23 GLU H . 11605 1 256 . 1 . 1 26 26 GLU HA H 1 4.306 0.040 . 1 . . . . A 23 GLU HA . 11605 1 257 . 1 . 1 26 26 GLU HB2 H 1 1.691 0.040 . 2 . . . . A 23 GLU HB2 . 11605 1 258 . 1 . 1 26 26 GLU HB3 H 1 1.691 0.040 . 2 . . . . A 23 GLU HB3 . 11605 1 259 . 1 . 1 26 26 GLU HG2 H 1 2.223 0.040 . 2 . . . . A 23 GLU HG2 . 11605 1 260 . 1 . 1 26 26 GLU HG3 H 1 2.223 0.040 . 2 . . . . A 23 GLU HG3 . 11605 1 261 . 1 . 1 26 26 GLU C C 13 175.685 0.450 . 1 . . . . A 23 GLU C . 11605 1 262 . 1 . 1 26 26 GLU CA C 13 56.964 0.450 . 1 . . . . A 23 GLU CA . 11605 1 263 . 1 . 1 26 26 GLU CB C 13 32.526 0.450 . 1 . . . . A 23 GLU CB . 11605 1 264 . 1 . 1 26 26 GLU CG C 13 36.182 0.450 . 1 . . . . A 23 GLU CG . 11605 1 265 . 1 . 1 26 26 GLU N N 15 127.072 0.450 . 1 . . . . A 23 GLU N . 11605 1 266 . 1 . 1 27 27 LYS H H 1 7.571 0.040 . 1 . . . . A 24 LYS H . 11605 1 267 . 1 . 1 27 27 LYS HA H 1 4.327 0.040 . 1 . . . . A 24 LYS HA . 11605 1 268 . 1 . 1 27 27 LYS HB2 H 1 1.529 0.040 . 2 . . . . A 24 LYS HB2 . 11605 1 269 . 1 . 1 27 27 LYS HB3 H 1 1.606 0.040 . 2 . . . . A 24 LYS HB3 . 11605 1 270 . 1 . 1 27 27 LYS HG2 H 1 1.240 0.040 . 2 . . . . A 24 LYS HG2 . 11605 1 271 . 1 . 1 27 27 LYS HG3 H 1 1.240 0.040 . 2 . . . . A 24 LYS HG3 . 11605 1 272 . 1 . 1 27 27 LYS HD2 H 1 1.626 0.040 . 2 . . . . A 24 LYS HD2 . 11605 1 273 . 1 . 1 27 27 LYS HD3 H 1 1.626 0.040 . 2 . . . . A 24 LYS HD3 . 11605 1 274 . 1 . 1 27 27 LYS HE2 H 1 2.898 0.040 . 2 . . . . A 24 LYS HE2 . 11605 1 275 . 1 . 1 27 27 LYS HE3 H 1 2.898 0.040 . 2 . . . . A 24 LYS HE3 . 11605 1 276 . 1 . 1 27 27 LYS C C 13 172.614 0.450 . 1 . . . . A 24 LYS C . 11605 1 277 . 1 . 1 27 27 LYS CA C 13 55.502 0.450 . 1 . . . . A 24 LYS CA . 11605 1 278 . 1 . 1 27 27 LYS CB C 13 37.204 0.450 . 1 . . . . A 24 LYS CB . 11605 1 279 . 1 . 1 27 27 LYS CG C 13 23.817 0.450 . 1 . . . . A 24 LYS CG . 11605 1 280 . 1 . 1 27 27 LYS CD C 13 28.451 0.450 . 1 . . . . A 24 LYS CD . 11605 1 281 . 1 . 1 27 27 LYS CE C 13 41.319 0.450 . 1 . . . . A 24 LYS CE . 11605 1 282 . 1 . 1 27 27 LYS N N 15 115.155 0.450 . 1 . . . . A 24 LYS N . 11605 1 283 . 1 . 1 28 28 VAL H H 1 8.327 0.040 . 1 . . . . A 25 VAL H . 11605 1 284 . 1 . 1 28 28 VAL HA H 1 3.932 0.040 . 1 . . . . A 25 VAL HA . 11605 1 285 . 1 . 1 28 28 VAL HB H 1 1.546 0.040 . 1 . . . . A 25 VAL HB . 11605 1 286 . 1 . 1 28 28 VAL HG11 H 1 0.098 0.040 . 2 . . . . A 25 VAL HG11 . 11605 1 287 . 1 . 1 28 28 VAL HG12 H 1 0.098 0.040 . 2 . . . . A 25 VAL HG12 . 11605 1 288 . 1 . 1 28 28 VAL HG13 H 1 0.098 0.040 . 2 . . . . A 25 VAL HG13 . 11605 1 289 . 1 . 1 28 28 VAL HG21 H 1 0.337 0.040 . 2 . . . . A 25 VAL HG21 . 11605 1 290 . 1 . 1 28 28 VAL HG22 H 1 0.337 0.040 . 2 . . . . A 25 VAL HG22 . 11605 1 291 . 1 . 1 28 28 VAL HG23 H 1 0.337 0.040 . 2 . . . . A 25 VAL HG23 . 11605 1 292 . 1 . 1 28 28 VAL C C 13 174.989 0.450 . 1 . . . . A 25 VAL C . 11605 1 293 . 1 . 1 28 28 VAL CA C 13 61.671 0.450 . 1 . . . . A 25 VAL CA . 11605 1 294 . 1 . 1 28 28 VAL CB C 13 32.147 0.450 . 1 . . . . A 25 VAL CB . 11605 1 295 . 1 . 1 28 28 VAL CG1 C 13 21.908 0.450 . 1 . . . . A 25 VAL CG1 . 11605 1 296 . 1 . 1 28 28 VAL CG2 C 13 21.039 0.450 . 1 . . . . A 25 VAL CG2 . 11605 1 297 . 1 . 1 28 28 VAL N N 15 123.385 0.450 . 1 . . . . A 25 VAL N . 11605 1 298 . 1 . 1 29 29 LEU H H 1 8.990 0.040 . 1 . . . . A 26 LEU H . 11605 1 299 . 1 . 1 29 29 LEU HA H 1 4.336 0.040 . 1 . . . . A 26 LEU HA . 11605 1 300 . 1 . 1 29 29 LEU HB2 H 1 1.321 0.040 . 2 . . . . A 26 LEU HB2 . 11605 1 301 . 1 . 1 29 29 LEU HB3 H 1 1.097 0.040 . 2 . . . . A 26 LEU HB3 . 11605 1 302 . 1 . 1 29 29 LEU HG H 1 1.616 0.040 . 1 . . . . A 26 LEU HG . 11605 1 303 . 1 . 1 29 29 LEU HD11 H 1 0.583 0.040 . 2 . . . . A 26 LEU HD11 . 11605 1 304 . 1 . 1 29 29 LEU HD12 H 1 0.583 0.040 . 2 . . . . A 26 LEU HD12 . 11605 1 305 . 1 . 1 29 29 LEU HD13 H 1 0.583 0.040 . 2 . . . . A 26 LEU HD13 . 11605 1 306 . 1 . 1 29 29 LEU HD21 H 1 0.674 0.040 . 2 . . . . A 26 LEU HD21 . 11605 1 307 . 1 . 1 29 29 LEU HD22 H 1 0.674 0.040 . 2 . . . . A 26 LEU HD22 . 11605 1 308 . 1 . 1 29 29 LEU HD23 H 1 0.674 0.040 . 2 . . . . A 26 LEU HD23 . 11605 1 309 . 1 . 1 29 29 LEU C C 13 176.634 0.450 . 1 . . . . A 26 LEU C . 11605 1 310 . 1 . 1 29 29 LEU CA C 13 55.630 0.450 . 1 . . . . A 26 LEU CA . 11605 1 311 . 1 . 1 29 29 LEU CB C 13 44.377 0.450 . 1 . . . . A 26 LEU CB . 11605 1 312 . 1 . 1 29 29 LEU CG C 13 26.798 0.450 . 1 . . . . A 26 LEU CG . 11605 1 313 . 1 . 1 29 29 LEU CD1 C 13 26.310 0.450 . 1 . . . . A 26 LEU CD1 . 11605 1 314 . 1 . 1 29 29 LEU CD2 C 13 23.355 0.450 . 1 . . . . A 26 LEU CD2 . 11605 1 315 . 1 . 1 29 29 LEU N N 15 123.720 0.450 . 1 . . . . A 26 LEU N . 11605 1 316 . 1 . 1 30 30 ASP H H 1 7.139 0.040 . 1 . . . . A 27 ASP H . 11605 1 317 . 1 . 1 30 30 ASP HA H 1 4.836 0.040 . 1 . . . . A 27 ASP HA . 11605 1 318 . 1 . 1 30 30 ASP HB2 H 1 2.582 0.040 . 2 . . . . A 27 ASP HB2 . 11605 1 319 . 1 . 1 30 30 ASP HB3 H 1 2.500 0.040 . 2 . . . . A 27 ASP HB3 . 11605 1 320 . 1 . 1 30 30 ASP C C 13 172.796 0.450 . 1 . . . . A 27 ASP C . 11605 1 321 . 1 . 1 30 30 ASP CA C 13 52.703 0.450 . 1 . . . . A 27 ASP CA . 11605 1 322 . 1 . 1 30 30 ASP CB C 13 43.432 0.450 . 1 . . . . A 27 ASP CB . 11605 1 323 . 1 . 1 30 30 ASP N N 15 114.903 0.450 . 1 . . . . A 27 ASP N . 11605 1 324 . 1 . 1 31 31 ARG H H 1 9.547 0.040 . 1 . . . . A 28 ARG H . 11605 1 325 . 1 . 1 31 31 ARG HA H 1 5.263 0.040 . 1 . . . . A 28 ARG HA . 11605 1 326 . 1 . 1 31 31 ARG HB2 H 1 1.447 0.040 . 2 . . . . A 28 ARG HB2 . 11605 1 327 . 1 . 1 31 31 ARG HB3 H 1 1.447 0.040 . 2 . . . . A 28 ARG HB3 . 11605 1 328 . 1 . 1 31 31 ARG HG2 H 1 0.921 0.040 . 2 . . . . A 28 ARG HG2 . 11605 1 329 . 1 . 1 31 31 ARG HG3 H 1 0.921 0.040 . 2 . . . . A 28 ARG HG3 . 11605 1 330 . 1 . 1 31 31 ARG HD2 H 1 2.692 0.040 . 2 . . . . A 28 ARG HD2 . 11605 1 331 . 1 . 1 31 31 ARG HD3 H 1 2.977 0.040 . 2 . . . . A 28 ARG HD3 . 11605 1 332 . 1 . 1 31 31 ARG HE H 1 6.889 0.040 . 1 . . . . A 28 ARG HE . 11605 1 333 . 1 . 1 31 31 ARG C C 13 173.563 0.450 . 1 . . . . A 28 ARG C . 11605 1 334 . 1 . 1 31 31 ARG CA C 13 54.891 0.450 . 1 . . . . A 28 ARG CA . 11605 1 335 . 1 . 1 31 31 ARG CB C 13 35.960 0.450 . 1 . . . . A 28 ARG CB . 11605 1 336 . 1 . 1 31 31 ARG CG C 13 27.198 0.450 . 1 . . . . A 28 ARG CG . 11605 1 337 . 1 . 1 31 31 ARG CD C 13 43.853 0.450 . 1 . . . . A 28 ARG CD . 11605 1 338 . 1 . 1 31 31 ARG CZ C 13 158.868 0.450 . 1 . . . . A 28 ARG CZ . 11605 1 339 . 1 . 1 31 31 ARG N N 15 122.152 0.450 . 1 . . . . A 28 ARG N . 11605 1 340 . 1 . 1 31 31 ARG NE N 15 84.494 0.450 . 1 . . . . A 28 ARG NE . 11605 1 341 . 1 . 1 32 32 ARG H H 1 9.247 0.040 . 1 . . . . A 29 ARG H . 11605 1 342 . 1 . 1 32 32 ARG HA H 1 4.699 0.040 . 1 . . . . A 29 ARG HA . 11605 1 343 . 1 . 1 32 32 ARG HB2 H 1 1.509 0.040 . 2 . . . . A 29 ARG HB2 . 11605 1 344 . 1 . 1 32 32 ARG HB3 H 1 1.509 0.040 . 2 . . . . A 29 ARG HB3 . 11605 1 345 . 1 . 1 32 32 ARG HG2 H 1 1.268 0.040 . 2 . . . . A 29 ARG HG2 . 11605 1 346 . 1 . 1 32 32 ARG HG3 H 1 1.268 0.040 . 2 . . . . A 29 ARG HG3 . 11605 1 347 . 1 . 1 32 32 ARG HD2 H 1 2.956 0.040 . 2 . . . . A 29 ARG HD2 . 11605 1 348 . 1 . 1 32 32 ARG HD3 H 1 2.956 0.040 . 2 . . . . A 29 ARG HD3 . 11605 1 349 . 1 . 1 32 32 ARG HE H 1 6.057 0.040 . 1 . . . . A 29 ARG HE . 11605 1 350 . 1 . 1 32 32 ARG C C 13 171.918 0.450 . 1 . . . . A 29 ARG C . 11605 1 351 . 1 . 1 32 32 ARG CA C 13 54.043 0.450 . 1 . . . . A 29 ARG CA . 11605 1 352 . 1 . 1 32 32 ARG CB C 13 32.558 0.450 . 1 . . . . A 29 ARG CB . 11605 1 353 . 1 . 1 32 32 ARG CG C 13 25.033 0.450 . 1 . . . . A 29 ARG CG . 11605 1 354 . 1 . 1 32 32 ARG CD C 13 42.078 0.450 . 1 . . . . A 29 ARG CD . 11605 1 355 . 1 . 1 32 32 ARG CZ C 13 158.199 0.450 . 1 . . . . A 29 ARG CZ . 11605 1 356 . 1 . 1 32 32 ARG N N 15 123.618 0.450 . 1 . . . . A 29 ARG N . 11605 1 357 . 1 . 1 32 32 ARG NE N 15 83.953 0.450 . 1 . . . . A 29 ARG NE . 11605 1 358 . 1 . 1 33 33 MET H H 1 8.287 0.040 . 1 . . . . A 30 MET H . 11605 1 359 . 1 . 1 33 33 MET HA H 1 5.170 0.040 . 1 . . . . A 30 MET HA . 11605 1 360 . 1 . 1 33 33 MET HB2 H 1 1.700 0.040 . 2 . . . . A 30 MET HB2 . 11605 1 361 . 1 . 1 33 33 MET HB3 H 1 2.213 0.040 . 2 . . . . A 30 MET HB3 . 11605 1 362 . 1 . 1 33 33 MET HG2 H 1 2.902 0.040 . 2 . . . . A 30 MET HG2 . 11605 1 363 . 1 . 1 33 33 MET HG3 H 1 2.902 0.040 . 2 . . . . A 30 MET HG3 . 11605 1 364 . 1 . 1 33 33 MET HE1 H 1 1.839 0.040 . 1 . . . . A 30 MET HE1 . 11605 1 365 . 1 . 1 33 33 MET HE2 H 1 1.839 0.040 . 1 . . . . A 30 MET HE2 . 11605 1 366 . 1 . 1 33 33 MET HE3 H 1 1.839 0.040 . 1 . . . . A 30 MET HE3 . 11605 1 367 . 1 . 1 33 33 MET C C 13 175.866 0.450 . 1 . . . . A 30 MET C . 11605 1 368 . 1 . 1 33 33 MET CA C 13 53.685 0.450 . 1 . . . . A 30 MET CA . 11605 1 369 . 1 . 1 33 33 MET CB C 13 33.898 0.450 . 1 . . . . A 30 MET CB . 11605 1 370 . 1 . 1 33 33 MET CG C 13 32.633 0.450 . 1 . . . . A 30 MET CG . 11605 1 371 . 1 . 1 33 33 MET CE C 13 16.324 0.450 . 1 . . . . A 30 MET CE . 11605 1 372 . 1 . 1 33 33 MET N N 15 118.314 0.450 . 1 . . . . A 30 MET N . 11605 1 373 . 1 . 1 34 34 VAL H H 1 8.844 0.040 . 1 . . . . A 31 VAL H . 11605 1 374 . 1 . 1 34 34 VAL HA H 1 4.056 0.040 . 1 . . . . A 31 VAL HA . 11605 1 375 . 1 . 1 34 34 VAL HB H 1 1.692 0.040 . 1 . . . . A 31 VAL HB . 11605 1 376 . 1 . 1 34 34 VAL HG11 H 1 0.505 0.040 . 2 . . . . A 31 VAL HG11 . 11605 1 377 . 1 . 1 34 34 VAL HG12 H 1 0.505 0.040 . 2 . . . . A 31 VAL HG12 . 11605 1 378 . 1 . 1 34 34 VAL HG13 H 1 0.505 0.040 . 2 . . . . A 31 VAL HG13 . 11605 1 379 . 1 . 1 34 34 VAL HG21 H 1 0.715 0.040 . 2 . . . . A 31 VAL HG21 . 11605 1 380 . 1 . 1 34 34 VAL HG22 H 1 0.715 0.040 . 2 . . . . A 31 VAL HG22 . 11605 1 381 . 1 . 1 34 34 VAL HG23 H 1 0.715 0.040 . 2 . . . . A 31 VAL HG23 . 11605 1 382 . 1 . 1 34 34 VAL C C 13 175.976 0.450 . 1 . . . . A 31 VAL C . 11605 1 383 . 1 . 1 34 34 VAL CA C 13 61.228 0.450 . 1 . . . . A 31 VAL CA . 11605 1 384 . 1 . 1 34 34 VAL CB C 13 34.151 0.450 . 1 . . . . A 31 VAL CB . 11605 1 385 . 1 . 1 34 34 VAL CG1 C 13 20.174 0.450 . 1 . . . . A 31 VAL CG1 . 11605 1 386 . 1 . 1 34 34 VAL CG2 C 13 20.783 0.450 . 1 . . . . A 31 VAL CG2 . 11605 1 387 . 1 . 1 34 34 VAL N N 15 124.596 0.450 . 1 . . . . A 31 VAL N . 11605 1 388 . 1 . 1 35 35 LYS H H 1 9.507 0.040 . 1 . . . . A 32 LYS H . 11605 1 389 . 1 . 1 35 35 LYS HA H 1 3.797 0.040 . 1 . . . . A 32 LYS HA . 11605 1 390 . 1 . 1 35 35 LYS HB2 H 1 1.725 0.040 . 2 . . . . A 32 LYS HB2 . 11605 1 391 . 1 . 1 35 35 LYS HB3 H 1 1.937 0.040 . 2 . . . . A 32 LYS HB3 . 11605 1 392 . 1 . 1 35 35 LYS HG2 H 1 1.341 0.040 . 2 . . . . A 32 LYS HG2 . 11605 1 393 . 1 . 1 35 35 LYS HG3 H 1 1.341 0.040 . 2 . . . . A 32 LYS HG3 . 11605 1 394 . 1 . 1 35 35 LYS HD2 H 1 1.636 0.040 . 2 . . . . A 32 LYS HD2 . 11605 1 395 . 1 . 1 35 35 LYS HD3 H 1 1.636 0.040 . 2 . . . . A 32 LYS HD3 . 11605 1 396 . 1 . 1 35 35 LYS HE2 H 1 2.897 0.040 . 2 . . . . A 32 LYS HE2 . 11605 1 397 . 1 . 1 35 35 LYS HE3 H 1 2.897 0.040 . 2 . . . . A 32 LYS HE3 . 11605 1 398 . 1 . 1 35 35 LYS C C 13 176.562 0.450 . 1 . . . . A 32 LYS C . 11605 1 399 . 1 . 1 35 35 LYS CA C 13 56.931 0.450 . 1 . . . . A 32 LYS CA . 11605 1 400 . 1 . 1 35 35 LYS CB C 13 30.176 0.450 . 1 . . . . A 32 LYS CB . 11605 1 401 . 1 . 1 35 35 LYS CG C 13 25.298 0.450 . 1 . . . . A 32 LYS CG . 11605 1 402 . 1 . 1 35 35 LYS CD C 13 29.769 0.450 . 1 . . . . A 32 LYS CD . 11605 1 403 . 1 . 1 35 35 LYS CE C 13 41.026 0.450 . 1 . . . . A 32 LYS CE . 11605 1 404 . 1 . 1 35 35 LYS N N 15 128.484 0.450 . 1 . . . . A 32 LYS N . 11605 1 405 . 1 . 1 36 36 GLY H H 1 8.491 0.040 . 1 . . . . A 33 GLY H . 11605 1 406 . 1 . 1 36 36 GLY HA2 H 1 4.069 0.040 . 2 . . . . A 33 GLY HA2 . 11605 1 407 . 1 . 1 36 36 GLY HA3 H 1 3.558 0.040 . 2 . . . . A 33 GLY HA3 . 11605 1 408 . 1 . 1 36 36 GLY C C 13 173.392 0.450 . 1 . . . . A 33 GLY C . 11605 1 409 . 1 . 1 36 36 GLY CA C 13 45.319 0.450 . 1 . . . . A 33 GLY CA . 11605 1 410 . 1 . 1 36 36 GLY N N 15 103.604 0.450 . 1 . . . . A 33 GLY N . 11605 1 411 . 1 . 1 37 37 GLN H H 1 7.888 0.040 . 1 . . . . A 34 GLN H . 11605 1 412 . 1 . 1 37 37 GLN HA H 1 4.595 0.040 . 1 . . . . A 34 GLN HA . 11605 1 413 . 1 . 1 37 37 GLN HB2 H 1 2.014 0.040 . 2 . . . . A 34 GLN HB2 . 11605 1 414 . 1 . 1 37 37 GLN HB3 H 1 2.219 0.040 . 2 . . . . A 34 GLN HB3 . 11605 1 415 . 1 . 1 37 37 GLN HG2 H 1 2.292 0.040 . 2 . . . . A 34 GLN HG2 . 11605 1 416 . 1 . 1 37 37 GLN HG3 H 1 2.292 0.040 . 2 . . . . A 34 GLN HG3 . 11605 1 417 . 1 . 1 37 37 GLN HE21 H 1 7.803 0.040 . 2 . . . . A 34 GLN HE21 . 11605 1 418 . 1 . 1 37 37 GLN HE22 H 1 6.908 0.040 . 2 . . . . A 34 GLN HE22 . 11605 1 419 . 1 . 1 37 37 GLN C C 13 174.221 0.450 . 1 . . . . A 34 GLN C . 11605 1 420 . 1 . 1 37 37 GLN CA C 13 53.759 0.450 . 1 . . . . A 34 GLN CA . 11605 1 421 . 1 . 1 37 37 GLN CB C 13 30.849 0.450 . 1 . . . . A 34 GLN CB . 11605 1 422 . 1 . 1 37 37 GLN CG C 13 33.424 0.450 . 1 . . . . A 34 GLN CG . 11605 1 423 . 1 . 1 37 37 GLN CD C 13 180.620 0.450 . 1 . . . . A 34 GLN CD . 11605 1 424 . 1 . 1 37 37 GLN N N 15 119.780 0.450 . 1 . . . . A 34 GLN N . 11605 1 425 . 1 . 1 37 37 GLN NE2 N 15 112.522 0.450 . 1 . . . . A 34 GLN NE2 . 11605 1 426 . 1 . 1 38 38 VAL H H 1 8.677 0.040 . 1 . . . . A 35 VAL H . 11605 1 427 . 1 . 1 38 38 VAL HA H 1 4.244 0.040 . 1 . . . . A 35 VAL HA . 11605 1 428 . 1 . 1 38 38 VAL HB H 1 1.840 0.040 . 1 . . . . A 35 VAL HB . 11605 1 429 . 1 . 1 38 38 VAL HG11 H 1 0.445 0.040 . 2 . . . . A 35 VAL HG11 . 11605 1 430 . 1 . 1 38 38 VAL HG12 H 1 0.445 0.040 . 2 . . . . A 35 VAL HG12 . 11605 1 431 . 1 . 1 38 38 VAL HG13 H 1 0.445 0.040 . 2 . . . . A 35 VAL HG13 . 11605 1 432 . 1 . 1 38 38 VAL HG21 H 1 0.884 0.040 . 2 . . . . A 35 VAL HG21 . 11605 1 433 . 1 . 1 38 38 VAL HG22 H 1 0.884 0.040 . 2 . . . . A 35 VAL HG22 . 11605 1 434 . 1 . 1 38 38 VAL HG23 H 1 0.884 0.040 . 2 . . . . A 35 VAL HG23 . 11605 1 435 . 1 . 1 38 38 VAL C C 13 176.195 0.450 . 1 . . . . A 35 VAL C . 11605 1 436 . 1 . 1 38 38 VAL CA C 13 62.792 0.450 . 1 . . . . A 35 VAL CA . 11605 1 437 . 1 . 1 38 38 VAL CB C 13 32.093 0.450 . 1 . . . . A 35 VAL CB . 11605 1 438 . 1 . 1 38 38 VAL CG1 C 13 22.014 0.450 . 1 . . . . A 35 VAL CG1 . 11605 1 439 . 1 . 1 38 38 VAL CG2 C 13 22.316 0.450 . 1 . . . . A 35 VAL CG2 . 11605 1 440 . 1 . 1 38 38 VAL N N 15 124.605 0.450 . 1 . . . . A 35 VAL N . 11605 1 441 . 1 . 1 39 39 GLU H H 1 8.989 0.040 . 1 . . . . A 36 GLU H . 11605 1 442 . 1 . 1 39 39 GLU HA H 1 5.051 0.040 . 1 . . . . A 36 GLU HA . 11605 1 443 . 1 . 1 39 39 GLU HB2 H 1 1.795 0.040 . 2 . . . . A 36 GLU HB2 . 11605 1 444 . 1 . 1 39 39 GLU HB3 H 1 1.795 0.040 . 2 . . . . A 36 GLU HB3 . 11605 1 445 . 1 . 1 39 39 GLU HG2 H 1 2.053 0.040 . 2 . . . . A 36 GLU HG2 . 11605 1 446 . 1 . 1 39 39 GLU HG3 H 1 2.053 0.040 . 2 . . . . A 36 GLU HG3 . 11605 1 447 . 1 . 1 39 39 GLU C C 13 174.259 0.450 . 1 . . . . A 36 GLU C . 11605 1 448 . 1 . 1 39 39 GLU CA C 13 54.099 0.450 . 1 . . . . A 36 GLU CA . 11605 1 449 . 1 . 1 39 39 GLU CB C 13 35.066 0.450 . 1 . . . . A 36 GLU CB . 11605 1 450 . 1 . 1 39 39 GLU CG C 13 36.308 0.450 . 1 . . . . A 36 GLU CG . 11605 1 451 . 1 . 1 39 39 GLU N N 15 126.540 0.450 . 1 . . . . A 36 GLU N . 11605 1 452 . 1 . 1 40 40 TYR H H 1 8.883 0.040 . 1 . . . . A 37 TYR H . 11605 1 453 . 1 . 1 40 40 TYR HA H 1 5.236 0.040 . 1 . . . . A 37 TYR HA . 11605 1 454 . 1 . 1 40 40 TYR HB2 H 1 2.207 0.040 . 2 . . . . A 37 TYR HB2 . 11605 1 455 . 1 . 1 40 40 TYR HB3 H 1 2.675 0.040 . 2 . . . . A 37 TYR HB3 . 11605 1 456 . 1 . 1 40 40 TYR HD1 H 1 6.697 0.040 . 1 . . . . A 37 TYR HD1 . 11605 1 457 . 1 . 1 40 40 TYR HD2 H 1 6.697 0.040 . 1 . . . . A 37 TYR HD2 . 11605 1 458 . 1 . 1 40 40 TYR HE1 H 1 6.552 0.040 . 1 . . . . A 37 TYR HE1 . 11605 1 459 . 1 . 1 40 40 TYR HE2 H 1 6.552 0.040 . 1 . . . . A 37 TYR HE2 . 11605 1 460 . 1 . 1 40 40 TYR C C 13 173.333 0.450 . 1 . . . . A 37 TYR C . 11605 1 461 . 1 . 1 40 40 TYR CA C 13 56.868 0.450 . 1 . . . . A 37 TYR CA . 11605 1 462 . 1 . 1 40 40 TYR CB C 13 42.810 0.450 . 1 . . . . A 37 TYR CB . 11605 1 463 . 1 . 1 40 40 TYR CD1 C 13 133.229 0.450 . 1 . . . . A 37 TYR CD1 . 11605 1 464 . 1 . 1 40 40 TYR CD2 C 13 133.229 0.450 . 1 . . . . A 37 TYR CD2 . 11605 1 465 . 1 . 1 40 40 TYR CE1 C 13 117.830 0.450 . 1 . . . . A 37 TYR CE1 . 11605 1 466 . 1 . 1 40 40 TYR CE2 C 13 117.830 0.450 . 1 . . . . A 37 TYR CE2 . 11605 1 467 . 1 . 1 40 40 TYR N N 15 117.330 0.450 . 1 . . . . A 37 TYR N . 11605 1 468 . 1 . 1 41 41 LEU H H 1 7.324 0.040 . 1 . . . . A 38 LEU H . 11605 1 469 . 1 . 1 41 41 LEU HA H 1 3.760 0.040 . 1 . . . . A 38 LEU HA . 11605 1 470 . 1 . 1 41 41 LEU HB2 H 1 0.556 0.040 . 2 . . . . A 38 LEU HB2 . 11605 1 471 . 1 . 1 41 41 LEU HB3 H 1 -1.763 0.040 . 2 . . . . A 38 LEU HB3 . 11605 1 472 . 1 . 1 41 41 LEU HG H 1 0.371 0.040 . 1 . . . . A 38 LEU HG . 11605 1 473 . 1 . 1 41 41 LEU HD11 H 1 -0.463 0.040 . 2 . . . . A 38 LEU HD11 . 11605 1 474 . 1 . 1 41 41 LEU HD12 H 1 -0.463 0.040 . 2 . . . . A 38 LEU HD12 . 11605 1 475 . 1 . 1 41 41 LEU HD13 H 1 -0.463 0.040 . 2 . . . . A 38 LEU HD13 . 11605 1 476 . 1 . 1 41 41 LEU HD21 H 1 -0.463 0.040 . 2 . . . . A 38 LEU HD21 . 11605 1 477 . 1 . 1 41 41 LEU HD22 H 1 -0.463 0.040 . 2 . . . . A 38 LEU HD22 . 11605 1 478 . 1 . 1 41 41 LEU HD23 H 1 -0.463 0.040 . 2 . . . . A 38 LEU HD23 . 11605 1 479 . 1 . 1 41 41 LEU C C 13 174.149 0.450 . 1 . . . . A 38 LEU C . 11605 1 480 . 1 . 1 41 41 LEU CA C 13 53.146 0.450 . 1 . . . . A 38 LEU CA . 11605 1 481 . 1 . 1 41 41 LEU CB C 13 40.432 0.450 . 1 . . . . A 38 LEU CB . 11605 1 482 . 1 . 1 41 41 LEU CG C 13 25.431 0.450 . 1 . . . . A 38 LEU CG . 11605 1 483 . 1 . 1 41 41 LEU CD1 C 13 19.790 0.450 . 1 . . . . A 38 LEU CD1 . 11605 1 484 . 1 . 1 41 41 LEU CD2 C 13 19.790 0.450 . 1 . . . . A 38 LEU CD2 . 11605 1 485 . 1 . 1 41 41 LEU N N 15 126.042 0.450 . 1 . . . . A 38 LEU N . 11605 1 486 . 1 . 1 42 42 LEU H H 1 8.685 0.040 . 1 . . . . A 39 LEU H . 11605 1 487 . 1 . 1 42 42 LEU HA H 1 4.463 0.040 . 1 . . . . A 39 LEU HA . 11605 1 488 . 1 . 1 42 42 LEU HB2 H 1 0.940 0.040 . 2 . . . . A 39 LEU HB2 . 11605 1 489 . 1 . 1 42 42 LEU HB3 H 1 0.181 0.040 . 2 . . . . A 39 LEU HB3 . 11605 1 490 . 1 . 1 42 42 LEU HG H 1 0.443 0.040 . 1 . . . . A 39 LEU HG . 11605 1 491 . 1 . 1 42 42 LEU HD11 H 1 0.461 0.040 . 2 . . . . A 39 LEU HD11 . 11605 1 492 . 1 . 1 42 42 LEU HD12 H 1 0.461 0.040 . 2 . . . . A 39 LEU HD12 . 11605 1 493 . 1 . 1 42 42 LEU HD13 H 1 0.461 0.040 . 2 . . . . A 39 LEU HD13 . 11605 1 494 . 1 . 1 42 42 LEU HD21 H 1 0.461 0.040 . 2 . . . . A 39 LEU HD21 . 11605 1 495 . 1 . 1 42 42 LEU HD22 H 1 0.461 0.040 . 2 . . . . A 39 LEU HD22 . 11605 1 496 . 1 . 1 42 42 LEU HD23 H 1 0.461 0.040 . 2 . . . . A 39 LEU HD23 . 11605 1 497 . 1 . 1 42 42 LEU C C 13 174.369 0.450 . 1 . . . . A 39 LEU C . 11605 1 498 . 1 . 1 42 42 LEU CA C 13 53.151 0.450 . 1 . . . . A 39 LEU CA . 11605 1 499 . 1 . 1 42 42 LEU CB C 13 42.208 0.450 . 1 . . . . A 39 LEU CB . 11605 1 500 . 1 . 1 42 42 LEU CG C 13 25.920 0.450 . 1 . . . . A 39 LEU CG . 11605 1 501 . 1 . 1 42 42 LEU CD1 C 13 24.941 0.450 . 1 . . . . A 39 LEU CD1 . 11605 1 502 . 1 . 1 42 42 LEU CD2 C 13 24.941 0.450 . 1 . . . . A 39 LEU CD2 . 11605 1 503 . 1 . 1 42 42 LEU N N 15 128.172 0.450 . 1 . . . . A 39 LEU N . 11605 1 504 . 1 . 1 43 43 LYS H H 1 7.559 0.040 . 1 . . . . A 40 LYS H . 11605 1 505 . 1 . 1 43 43 LYS HA H 1 4.511 0.040 . 1 . . . . A 40 LYS HA . 11605 1 506 . 1 . 1 43 43 LYS HB2 H 1 1.529 0.040 . 2 . . . . A 40 LYS HB2 . 11605 1 507 . 1 . 1 43 43 LYS HB3 H 1 1.529 0.040 . 2 . . . . A 40 LYS HB3 . 11605 1 508 . 1 . 1 43 43 LYS HG2 H 1 0.940 0.040 . 2 . . . . A 40 LYS HG2 . 11605 1 509 . 1 . 1 43 43 LYS HG3 H 1 0.940 0.040 . 2 . . . . A 40 LYS HG3 . 11605 1 510 . 1 . 1 43 43 LYS HD2 H 1 1.401 0.040 . 2 . . . . A 40 LYS HD2 . 11605 1 511 . 1 . 1 43 43 LYS HD3 H 1 1.401 0.040 . 2 . . . . A 40 LYS HD3 . 11605 1 512 . 1 . 1 43 43 LYS HE2 H 1 2.884 0.040 . 2 . . . . A 40 LYS HE2 . 11605 1 513 . 1 . 1 43 43 LYS HE3 H 1 2.884 0.040 . 2 . . . . A 40 LYS HE3 . 11605 1 514 . 1 . 1 43 43 LYS C C 13 175.647 0.450 . 1 . . . . A 40 LYS C . 11605 1 515 . 1 . 1 43 43 LYS CA C 13 53.323 0.450 . 1 . . . . A 40 LYS CA . 11605 1 516 . 1 . 1 43 43 LYS CB C 13 35.011 0.450 . 1 . . . . A 40 LYS CB . 11605 1 517 . 1 . 1 43 43 LYS CG C 13 25.086 0.450 . 1 . . . . A 40 LYS CG . 11605 1 518 . 1 . 1 43 43 LYS CD C 13 26.319 0.450 . 1 . . . . A 40 LYS CD . 11605 1 519 . 1 . 1 43 43 LYS CE C 13 41.316 0.450 . 1 . . . . A 40 LYS CE . 11605 1 520 . 1 . 1 43 43 LYS N N 15 118.561 0.450 . 1 . . . . A 40 LYS N . 11605 1 521 . 1 . 1 44 44 TRP H H 1 9.220 0.040 . 1 . . . . A 41 TRP H . 11605 1 522 . 1 . 1 44 44 TRP HA H 1 4.940 0.040 . 1 . . . . A 41 TRP HA . 11605 1 523 . 1 . 1 44 44 TRP HB2 H 1 3.019 0.040 . 2 . . . . A 41 TRP HB2 . 11605 1 524 . 1 . 1 44 44 TRP HB3 H 1 3.352 0.040 . 2 . . . . A 41 TRP HB3 . 11605 1 525 . 1 . 1 44 44 TRP HD1 H 1 7.401 0.040 . 1 . . . . A 41 TRP HD1 . 11605 1 526 . 1 . 1 44 44 TRP HE1 H 1 10.083 0.040 . 1 . . . . A 41 TRP HE1 . 11605 1 527 . 1 . 1 44 44 TRP HE3 H 1 6.838 0.040 . 1 . . . . A 41 TRP HE3 . 11605 1 528 . 1 . 1 44 44 TRP HZ2 H 1 7.350 0.040 . 1 . . . . A 41 TRP HZ2 . 11605 1 529 . 1 . 1 44 44 TRP HZ3 H 1 6.757 0.040 . 1 . . . . A 41 TRP HZ3 . 11605 1 530 . 1 . 1 44 44 TRP HH2 H 1 6.778 0.040 . 1 . . . . A 41 TRP HH2 . 11605 1 531 . 1 . 1 44 44 TRP C C 13 177.001 0.450 . 1 . . . . A 41 TRP C . 11605 1 532 . 1 . 1 44 44 TRP CA C 13 55.605 0.450 . 1 . . . . A 41 TRP CA . 11605 1 533 . 1 . 1 44 44 TRP CB C 13 31.116 0.450 . 1 . . . . A 41 TRP CB . 11605 1 534 . 1 . 1 44 44 TRP CD1 C 13 129.453 0.450 . 1 . . . . A 41 TRP CD1 . 11605 1 535 . 1 . 1 44 44 TRP CE2 C 13 139.160 0.450 . 1 . . . . A 41 TRP CE2 . 11605 1 536 . 1 . 1 44 44 TRP CE3 C 13 120.711 0.450 . 1 . . . . A 41 TRP CE3 . 11605 1 537 . 1 . 1 44 44 TRP CZ2 C 13 114.888 0.450 . 1 . . . . A 41 TRP CZ2 . 11605 1 538 . 1 . 1 44 44 TRP CZ3 C 13 122.746 0.450 . 1 . . . . A 41 TRP CZ3 . 11605 1 539 . 1 . 1 44 44 TRP CH2 C 13 123.995 0.450 . 1 . . . . A 41 TRP CH2 . 11605 1 540 . 1 . 1 44 44 TRP N N 15 131.265 0.450 . 1 . . . . A 41 TRP N . 11605 1 541 . 1 . 1 44 44 TRP NE1 N 15 128.724 0.450 . 1 . . . . A 41 TRP NE1 . 11605 1 542 . 1 . 1 45 45 LYS H H 1 9.494 0.040 . 1 . . . . A 42 LYS H . 11605 1 543 . 1 . 1 45 45 LYS HA H 1 4.246 0.040 . 1 . . . . A 42 LYS HA . 11605 1 544 . 1 . 1 45 45 LYS HB2 H 1 1.657 0.040 . 2 . . . . A 42 LYS HB2 . 11605 1 545 . 1 . 1 45 45 LYS HB3 H 1 1.773 0.040 . 2 . . . . A 42 LYS HB3 . 11605 1 546 . 1 . 1 45 45 LYS HG2 H 1 1.265 0.040 . 2 . . . . A 42 LYS HG2 . 11605 1 547 . 1 . 1 45 45 LYS HG3 H 1 1.379 0.040 . 2 . . . . A 42 LYS HG3 . 11605 1 548 . 1 . 1 45 45 LYS HD2 H 1 1.571 0.040 . 2 . . . . A 42 LYS HD2 . 11605 1 549 . 1 . 1 45 45 LYS HD3 H 1 1.571 0.040 . 2 . . . . A 42 LYS HD3 . 11605 1 550 . 1 . 1 45 45 LYS HE2 H 1 2.903 0.040 . 2 . . . . A 42 LYS HE2 . 11605 1 551 . 1 . 1 45 45 LYS HE3 H 1 2.903 0.040 . 2 . . . . A 42 LYS HE3 . 11605 1 552 . 1 . 1 45 45 LYS C C 13 178.169 0.450 . 1 . . . . A 42 LYS C . 11605 1 553 . 1 . 1 45 45 LYS CA C 13 58.074 0.450 . 1 . . . . A 42 LYS CA . 11605 1 554 . 1 . 1 45 45 LYS CB C 13 32.428 0.450 . 1 . . . . A 42 LYS CB . 11605 1 555 . 1 . 1 45 45 LYS CG C 13 24.761 0.450 . 1 . . . . A 42 LYS CG . 11605 1 556 . 1 . 1 45 45 LYS CD C 13 27.054 0.450 . 1 . . . . A 42 LYS CD . 11605 1 557 . 1 . 1 45 45 LYS CE C 13 40.708 0.450 . 1 . . . . A 42 LYS CE . 11605 1 558 . 1 . 1 45 45 LYS N N 15 125.702 0.450 . 1 . . . . A 42 LYS N . 11605 1 559 . 1 . 1 46 46 GLY H H 1 9.303 0.040 . 1 . . . . A 43 GLY H . 11605 1 560 . 1 . 1 46 46 GLY HA2 H 1 3.496 0.040 . 2 . . . . A 43 GLY HA2 . 11605 1 561 . 1 . 1 46 46 GLY HA3 H 1 4.079 0.040 . 2 . . . . A 43 GLY HA3 . 11605 1 562 . 1 . 1 46 46 GLY C C 13 173.162 0.450 . 1 . . . . A 43 GLY C . 11605 1 563 . 1 . 1 46 46 GLY CA C 13 45.150 0.450 . 1 . . . . A 43 GLY CA . 11605 1 564 . 1 . 1 46 46 GLY N N 15 113.864 0.450 . 1 . . . . A 43 GLY N . 11605 1 565 . 1 . 1 47 47 PHE H H 1 7.727 0.040 . 1 . . . . A 44 PHE H . 11605 1 566 . 1 . 1 47 47 PHE HA H 1 4.730 0.040 . 1 . . . . A 44 PHE HA . 11605 1 567 . 1 . 1 47 47 PHE HB2 H 1 2.926 0.040 . 2 . . . . A 44 PHE HB2 . 11605 1 568 . 1 . 1 47 47 PHE HB3 H 1 2.926 0.040 . 2 . . . . A 44 PHE HB3 . 11605 1 569 . 1 . 1 47 47 PHE HD1 H 1 6.896 0.040 . 1 . . . . A 44 PHE HD1 . 11605 1 570 . 1 . 1 47 47 PHE HD2 H 1 6.896 0.040 . 1 . . . . A 44 PHE HD2 . 11605 1 571 . 1 . 1 47 47 PHE HE1 H 1 6.620 0.040 . 1 . . . . A 44 PHE HE1 . 11605 1 572 . 1 . 1 47 47 PHE HE2 H 1 6.620 0.040 . 1 . . . . A 44 PHE HE2 . 11605 1 573 . 1 . 1 47 47 PHE C C 13 175.366 0.450 . 1 . . . . A 44 PHE C . 11605 1 574 . 1 . 1 47 47 PHE CA C 13 56.729 0.450 . 1 . . . . A 44 PHE CA . 11605 1 575 . 1 . 1 47 47 PHE CB C 13 42.124 0.450 . 1 . . . . A 44 PHE CB . 11605 1 576 . 1 . 1 47 47 PHE CD1 C 13 131.456 0.450 . 1 . . . . A 44 PHE CD1 . 11605 1 577 . 1 . 1 47 47 PHE CD2 C 13 131.456 0.450 . 1 . . . . A 44 PHE CD2 . 11605 1 578 . 1 . 1 47 47 PHE CE1 C 13 131.892 0.450 . 1 . . . . A 44 PHE CE1 . 11605 1 579 . 1 . 1 47 47 PHE CE2 C 13 131.892 0.450 . 1 . . . . A 44 PHE CE2 . 11605 1 580 . 1 . 1 47 47 PHE N N 15 118.055 0.450 . 1 . . . . A 44 PHE N . 11605 1 581 . 1 . 1 48 48 SER H H 1 8.930 0.040 . 1 . . . . A 45 SER H . 11605 1 582 . 1 . 1 48 48 SER HA H 1 4.457 0.040 . 1 . . . . A 45 SER HA . 11605 1 583 . 1 . 1 48 48 SER HB2 H 1 3.777 0.040 . 2 . . . . A 45 SER HB2 . 11605 1 584 . 1 . 1 48 48 SER HB3 H 1 3.777 0.040 . 2 . . . . A 45 SER HB3 . 11605 1 585 . 1 . 1 48 48 SER C C 13 175.537 0.450 . 1 . . . . A 45 SER C . 11605 1 586 . 1 . 1 48 48 SER CA C 13 58.471 0.450 . 1 . . . . A 45 SER CA . 11605 1 587 . 1 . 1 48 48 SER CB C 13 63.944 0.450 . 1 . . . . A 45 SER CB . 11605 1 588 . 1 . 1 48 48 SER N N 15 116.594 0.450 . 1 . . . . A 45 SER N . 11605 1 589 . 1 . 1 49 49 GLU H H 1 9.060 0.040 . 1 . . . . A 46 GLU H . 11605 1 590 . 1 . 1 49 49 GLU HA H 1 4.363 0.040 . 1 . . . . A 46 GLU HA . 11605 1 591 . 1 . 1 49 49 GLU HB2 H 1 2.077 0.040 . 2 . . . . A 46 GLU HB2 . 11605 1 592 . 1 . 1 49 49 GLU HB3 H 1 2.077 0.040 . 2 . . . . A 46 GLU HB3 . 11605 1 593 . 1 . 1 49 49 GLU HG2 H 1 2.317 0.040 . 2 . . . . A 46 GLU HG2 . 11605 1 594 . 1 . 1 49 49 GLU HG3 H 1 2.317 0.040 . 2 . . . . A 46 GLU HG3 . 11605 1 595 . 1 . 1 49 49 GLU C C 13 178.108 0.450 . 1 . . . . A 46 GLU C . 11605 1 596 . 1 . 1 49 49 GLU CA C 13 58.511 0.450 . 1 . . . . A 46 GLU CA . 11605 1 597 . 1 . 1 49 49 GLU CB C 13 29.313 0.450 . 1 . . . . A 46 GLU CB . 11605 1 598 . 1 . 1 49 49 GLU CG C 13 36.733 0.450 . 1 . . . . A 46 GLU CG . 11605 1 599 . 1 . 1 49 49 GLU N N 15 118.589 0.450 . 1 . . . . A 46 GLU N . 11605 1 600 . 1 . 1 50 50 GLU H H 1 8.837 0.040 . 1 . . . . A 47 GLU H . 11605 1 601 . 1 . 1 50 50 GLU HA H 1 4.096 0.040 . 1 . . . . A 47 GLU HA . 11605 1 602 . 1 . 1 50 50 GLU HB2 H 1 1.759 0.040 . 2 . . . . A 47 GLU HB2 . 11605 1 603 . 1 . 1 50 50 GLU HB3 H 1 1.839 0.040 . 2 . . . . A 47 GLU HB3 . 11605 1 604 . 1 . 1 50 50 GLU HG2 H 1 2.049 0.040 . 2 . . . . A 47 GLU HG2 . 11605 1 605 . 1 . 1 50 50 GLU HG3 H 1 2.108 0.040 . 2 . . . . A 47 GLU HG3 . 11605 1 606 . 1 . 1 50 50 GLU C C 13 177.110 0.450 . 1 . . . . A 47 GLU C . 11605 1 607 . 1 . 1 50 50 GLU CA C 13 58.688 0.450 . 1 . . . . A 47 GLU CA . 11605 1 608 . 1 . 1 50 50 GLU CB C 13 28.605 0.450 . 1 . . . . A 47 GLU CB . 11605 1 609 . 1 . 1 50 50 GLU CG C 13 36.254 0.450 . 1 . . . . A 47 GLU CG . 11605 1 610 . 1 . 1 50 50 GLU N N 15 121.392 0.450 . 1 . . . . A 47 GLU N . 11605 1 611 . 1 . 1 51 51 HIS H H 1 8.274 0.040 . 1 . . . . A 48 HIS H . 11605 1 612 . 1 . 1 51 51 HIS HA H 1 4.466 0.040 . 1 . . . . A 48 HIS HA . 11605 1 613 . 1 . 1 51 51 HIS HB2 H 1 3.318 0.040 . 2 . . . . A 48 HIS HB2 . 11605 1 614 . 1 . 1 51 51 HIS HB3 H 1 3.435 0.040 . 2 . . . . A 48 HIS HB3 . 11605 1 615 . 1 . 1 51 51 HIS HD2 H 1 7.398 0.040 . 1 . . . . A 48 HIS HD2 . 11605 1 616 . 1 . 1 51 51 HIS C C 13 173.783 0.450 . 1 . . . . A 48 HIS C . 11605 1 617 . 1 . 1 51 51 HIS CA C 13 55.609 0.450 . 1 . . . . A 48 HIS CA . 11605 1 618 . 1 . 1 51 51 HIS CB C 13 29.845 0.450 . 1 . . . . A 48 HIS CB . 11605 1 619 . 1 . 1 51 51 HIS CD2 C 13 121.686 0.450 . 1 . . . . A 48 HIS CD2 . 11605 1 620 . 1 . 1 51 51 HIS N N 15 116.729 0.450 . 1 . . . . A 48 HIS N . 11605 1 621 . 1 . 1 52 52 ASN H H 1 7.498 0.040 . 1 . . . . A 49 ASN H . 11605 1 622 . 1 . 1 52 52 ASN HA H 1 5.007 0.040 . 1 . . . . A 49 ASN HA . 11605 1 623 . 1 . 1 52 52 ASN HB2 H 1 2.369 0.040 . 2 . . . . A 49 ASN HB2 . 11605 1 624 . 1 . 1 52 52 ASN HB3 H 1 2.590 0.040 . 2 . . . . A 49 ASN HB3 . 11605 1 625 . 1 . 1 52 52 ASN HD21 H 1 6.833 0.040 . 2 . . . . A 49 ASN HD21 . 11605 1 626 . 1 . 1 52 52 ASN HD22 H 1 6.203 0.040 . 2 . . . . A 49 ASN HD22 . 11605 1 627 . 1 . 1 52 52 ASN C C 13 177.001 0.450 . 1 . . . . A 49 ASN C . 11605 1 628 . 1 . 1 52 52 ASN CA C 13 54.463 0.450 . 1 . . . . A 49 ASN CA . 11605 1 629 . 1 . 1 52 52 ASN CB C 13 37.305 0.450 . 1 . . . . A 49 ASN CB . 11605 1 630 . 1 . 1 52 52 ASN CG C 13 174.274 0.450 . 1 . . . . A 49 ASN CG . 11605 1 631 . 1 . 1 52 52 ASN N N 15 120.479 0.450 . 1 . . . . A 49 ASN N . 11605 1 632 . 1 . 1 52 52 ASN ND2 N 15 105.859 0.450 . 1 . . . . A 49 ASN ND2 . 11605 1 633 . 1 . 1 53 53 THR H H 1 7.841 0.040 . 1 . . . . A 50 THR H . 11605 1 634 . 1 . 1 53 53 THR HA H 1 4.758 0.040 . 1 . . . . A 50 THR HA . 11605 1 635 . 1 . 1 53 53 THR HB H 1 4.305 0.040 . 1 . . . . A 50 THR HB . 11605 1 636 . 1 . 1 53 53 THR HG21 H 1 1.276 0.040 . 1 . . . . A 50 THR HG21 . 11605 1 637 . 1 . 1 53 53 THR HG22 H 1 1.276 0.040 . 1 . . . . A 50 THR HG22 . 11605 1 638 . 1 . 1 53 53 THR HG23 H 1 1.276 0.040 . 1 . . . . A 50 THR HG23 . 11605 1 639 . 1 . 1 53 53 THR C C 13 172.943 0.450 . 1 . . . . A 50 THR C . 11605 1 640 . 1 . 1 53 53 THR CA C 13 59.678 0.450 . 1 . . . . A 50 THR CA . 11605 1 641 . 1 . 1 53 53 THR CB C 13 72.328 0.450 . 1 . . . . A 50 THR CB . 11605 1 642 . 1 . 1 53 53 THR CG2 C 13 23.801 0.450 . 1 . . . . A 50 THR CG2 . 11605 1 643 . 1 . 1 53 53 THR N N 15 111.993 0.450 . 1 . . . . A 50 THR N . 11605 1 644 . 1 . 1 54 54 TRP H H 1 8.429 0.040 . 1 . . . . A 51 TRP H . 11605 1 645 . 1 . 1 54 54 TRP HA H 1 5.156 0.040 . 1 . . . . A 51 TRP HA . 11605 1 646 . 1 . 1 54 54 TRP HB2 H 1 2.861 0.040 . 2 . . . . A 51 TRP HB2 . 11605 1 647 . 1 . 1 54 54 TRP HB3 H 1 2.861 0.040 . 2 . . . . A 51 TRP HB3 . 11605 1 648 . 1 . 1 54 54 TRP HD1 H 1 7.098 0.040 . 1 . . . . A 51 TRP HD1 . 11605 1 649 . 1 . 1 54 54 TRP HE1 H 1 10.018 0.040 . 1 . . . . A 51 TRP HE1 . 11605 1 650 . 1 . 1 54 54 TRP HE3 H 1 7.315 0.040 . 1 . . . . A 51 TRP HE3 . 11605 1 651 . 1 . 1 54 54 TRP HZ2 H 1 7.364 0.040 . 1 . . . . A 51 TRP HZ2 . 11605 1 652 . 1 . 1 54 54 TRP HZ3 H 1 6.737 0.040 . 1 . . . . A 51 TRP HZ3 . 11605 1 653 . 1 . 1 54 54 TRP HH2 H 1 6.481 0.040 . 1 . . . . A 51 TRP HH2 . 11605 1 654 . 1 . 1 54 54 TRP C C 13 177.402 0.450 . 1 . . . . A 51 TRP C . 11605 1 655 . 1 . 1 54 54 TRP CA C 13 55.943 0.450 . 1 . . . . A 51 TRP CA . 11605 1 656 . 1 . 1 54 54 TRP CB C 13 29.882 0.450 . 1 . . . . A 51 TRP CB . 11605 1 657 . 1 . 1 54 54 TRP CD1 C 13 128.205 0.450 . 1 . . . . A 51 TRP CD1 . 11605 1 658 . 1 . 1 54 54 TRP CE2 C 13 139.051 0.450 . 1 . . . . A 51 TRP CE2 . 11605 1 659 . 1 . 1 54 54 TRP CE3 C 13 120.066 0.450 . 1 . . . . A 51 TRP CE3 . 11605 1 660 . 1 . 1 54 54 TRP CZ2 C 13 115.326 0.450 . 1 . . . . A 51 TRP CZ2 . 11605 1 661 . 1 . 1 54 54 TRP CZ3 C 13 123.371 0.450 . 1 . . . . A 51 TRP CZ3 . 11605 1 662 . 1 . 1 54 54 TRP CH2 C 13 122.105 0.450 . 1 . . . . A 51 TRP CH2 . 11605 1 663 . 1 . 1 54 54 TRP N N 15 122.217 0.450 . 1 . . . . A 51 TRP N . 11605 1 664 . 1 . 1 54 54 TRP NE1 N 15 129.463 0.450 . 1 . . . . A 51 TRP NE1 . 11605 1 665 . 1 . 1 55 55 GLU H H 1 9.492 0.040 . 1 . . . . A 52 GLU H . 11605 1 666 . 1 . 1 55 55 GLU CA C 13 51.925 0.450 . 1 . . . . A 52 GLU CA . 11605 1 667 . 1 . 1 55 55 GLU CB C 13 32.891 0.450 . 1 . . . . A 52 GLU CB . 11605 1 668 . 1 . 1 55 55 GLU N N 15 123.056 0.450 . 1 . . . . A 52 GLU N . 11605 1 669 . 1 . 1 56 56 PRO HA H 1 4.877 0.040 . 1 . . . . A 53 PRO HA . 11605 1 670 . 1 . 1 56 56 PRO HB2 H 1 2.453 0.040 . 2 . . . . A 53 PRO HB2 . 11605 1 671 . 1 . 1 56 56 PRO HB3 H 1 1.957 0.040 . 2 . . . . A 53 PRO HB3 . 11605 1 672 . 1 . 1 56 56 PRO HG2 H 1 2.060 0.040 . 2 . . . . A 53 PRO HG2 . 11605 1 673 . 1 . 1 56 56 PRO HG3 H 1 2.060 0.040 . 2 . . . . A 53 PRO HG3 . 11605 1 674 . 1 . 1 56 56 PRO HD2 H 1 3.943 0.040 . 2 . . . . A 53 PRO HD2 . 11605 1 675 . 1 . 1 56 56 PRO HD3 H 1 3.943 0.040 . 2 . . . . A 53 PRO HD3 . 11605 1 676 . 1 . 1 56 56 PRO C C 13 177.621 0.450 . 1 . . . . A 53 PRO C . 11605 1 677 . 1 . 1 56 56 PRO CA C 13 62.437 0.450 . 1 . . . . A 53 PRO CA . 11605 1 678 . 1 . 1 56 56 PRO CB C 13 32.694 0.450 . 1 . . . . A 53 PRO CB . 11605 1 679 . 1 . 1 56 56 PRO CG C 13 27.630 0.450 . 1 . . . . A 53 PRO CG . 11605 1 680 . 1 . 1 56 56 PRO CD C 13 51.097 0.450 . 1 . . . . A 53 PRO CD . 11605 1 681 . 1 . 1 57 57 GLU H H 1 8.642 0.040 . 1 . . . . A 54 GLU H . 11605 1 682 . 1 . 1 57 57 GLU HA H 1 4.003 0.040 . 1 . . . . A 54 GLU HA . 11605 1 683 . 1 . 1 57 57 GLU HB2 H 1 2.120 0.040 . 2 . . . . A 54 GLU HB2 . 11605 1 684 . 1 . 1 57 57 GLU HB3 H 1 2.120 0.040 . 2 . . . . A 54 GLU HB3 . 11605 1 685 . 1 . 1 57 57 GLU HG2 H 1 2.343 0.040 . 2 . . . . A 54 GLU HG2 . 11605 1 686 . 1 . 1 57 57 GLU HG3 H 1 2.343 0.040 . 2 . . . . A 54 GLU HG3 . 11605 1 687 . 1 . 1 57 57 GLU C C 13 178.169 0.450 . 1 . . . . A 54 GLU C . 11605 1 688 . 1 . 1 57 57 GLU CA C 13 59.996 0.450 . 1 . . . . A 54 GLU CA . 11605 1 689 . 1 . 1 57 57 GLU CB C 13 30.052 0.450 . 1 . . . . A 54 GLU CB . 11605 1 690 . 1 . 1 57 57 GLU CG C 13 36.024 0.450 . 1 . . . . A 54 GLU CG . 11605 1 691 . 1 . 1 57 57 GLU N N 15 123.901 0.450 . 1 . . . . A 54 GLU N . 11605 1 692 . 1 . 1 58 58 LYS H H 1 8.382 0.040 . 1 . . . . A 55 LYS H . 11605 1 693 . 1 . 1 58 58 LYS HA H 1 4.255 0.040 . 1 . . . . A 55 LYS HA . 11605 1 694 . 1 . 1 58 58 LYS HB2 H 1 1.948 0.040 . 2 . . . . A 55 LYS HB2 . 11605 1 695 . 1 . 1 58 58 LYS HB3 H 1 1.948 0.040 . 2 . . . . A 55 LYS HB3 . 11605 1 696 . 1 . 1 58 58 LYS HG2 H 1 1.385 0.040 . 2 . . . . A 55 LYS HG2 . 11605 1 697 . 1 . 1 58 58 LYS HG3 H 1 1.385 0.040 . 2 . . . . A 55 LYS HG3 . 11605 1 698 . 1 . 1 58 58 LYS HD2 H 1 1.656 0.040 . 2 . . . . A 55 LYS HD2 . 11605 1 699 . 1 . 1 58 58 LYS HD3 H 1 1.656 0.040 . 2 . . . . A 55 LYS HD3 . 11605 1 700 . 1 . 1 58 58 LYS HE2 H 1 2.929 0.040 . 2 . . . . A 55 LYS HE2 . 11605 1 701 . 1 . 1 58 58 LYS HE3 H 1 2.929 0.040 . 2 . . . . A 55 LYS HE3 . 11605 1 702 . 1 . 1 58 58 LYS C C 13 176.524 0.450 . 1 . . . . A 55 LYS C . 11605 1 703 . 1 . 1 58 58 LYS CA C 13 57.803 0.450 . 1 . . . . A 55 LYS CA . 11605 1 704 . 1 . 1 58 58 LYS CB C 13 31.752 0.450 . 1 . . . . A 55 LYS CB . 11605 1 705 . 1 . 1 58 58 LYS CG C 13 24.129 0.450 . 1 . . . . A 55 LYS CG . 11605 1 706 . 1 . 1 58 58 LYS CD C 13 29.441 0.450 . 1 . . . . A 55 LYS CD . 11605 1 707 . 1 . 1 58 58 LYS CE C 13 41.026 0.450 . 1 . . . . A 55 LYS CE . 11605 1 708 . 1 . 1 58 58 LYS N N 15 115.401 0.450 . 1 . . . . A 55 LYS N . 11605 1 709 . 1 . 1 59 59 ASN H H 1 7.838 0.040 . 1 . . . . A 56 ASN H . 11605 1 710 . 1 . 1 59 59 ASN HA H 1 4.870 0.040 . 1 . . . . A 56 ASN HA . 11605 1 711 . 1 . 1 59 59 ASN HB2 H 1 2.894 0.040 . 2 . . . . A 56 ASN HB2 . 11605 1 712 . 1 . 1 59 59 ASN HB3 H 1 3.239 0.040 . 2 . . . . A 56 ASN HB3 . 11605 1 713 . 1 . 1 59 59 ASN HD21 H 1 7.932 0.040 . 2 . . . . A 56 ASN HD21 . 11605 1 714 . 1 . 1 59 59 ASN HD22 H 1 6.956 0.040 . 2 . . . . A 56 ASN HD22 . 11605 1 715 . 1 . 1 59 59 ASN C C 13 175.099 0.450 . 1 . . . . A 56 ASN C . 11605 1 716 . 1 . 1 59 59 ASN CA C 13 52.671 0.450 . 1 . . . . A 56 ASN CA . 11605 1 717 . 1 . 1 59 59 ASN CB C 13 38.626 0.450 . 1 . . . . A 56 ASN CB . 11605 1 718 . 1 . 1 59 59 ASN CG C 13 176.667 0.450 . 1 . . . . A 56 ASN CG . 11605 1 719 . 1 . 1 59 59 ASN N N 15 117.457 0.450 . 1 . . . . A 56 ASN N . 11605 1 720 . 1 . 1 59 59 ASN ND2 N 15 110.068 0.450 . 1 . . . . A 56 ASN ND2 . 11605 1 721 . 1 . 1 60 60 LEU H H 1 7.586 0.040 . 1 . . . . A 57 LEU H . 11605 1 722 . 1 . 1 60 60 LEU HA H 1 4.494 0.040 . 1 . . . . A 57 LEU HA . 11605 1 723 . 1 . 1 60 60 LEU HB2 H 1 1.905 0.040 . 2 . . . . A 57 LEU HB2 . 11605 1 724 . 1 . 1 60 60 LEU HB3 H 1 1.671 0.040 . 2 . . . . A 57 LEU HB3 . 11605 1 725 . 1 . 1 60 60 LEU HG H 1 0.801 0.040 . 1 . . . . A 57 LEU HG . 11605 1 726 . 1 . 1 60 60 LEU HD11 H 1 0.733 0.040 . 2 . . . . A 57 LEU HD11 . 11605 1 727 . 1 . 1 60 60 LEU HD12 H 1 0.733 0.040 . 2 . . . . A 57 LEU HD12 . 11605 1 728 . 1 . 1 60 60 LEU HD13 H 1 0.733 0.040 . 2 . . . . A 57 LEU HD13 . 11605 1 729 . 1 . 1 60 60 LEU HD21 H 1 0.733 0.040 . 2 . . . . A 57 LEU HD21 . 11605 1 730 . 1 . 1 60 60 LEU HD22 H 1 0.733 0.040 . 2 . . . . A 57 LEU HD22 . 11605 1 731 . 1 . 1 60 60 LEU HD23 H 1 0.733 0.040 . 2 . . . . A 57 LEU HD23 . 11605 1 732 . 1 . 1 60 60 LEU C C 13 176.123 0.450 . 1 . . . . A 57 LEU C . 11605 1 733 . 1 . 1 60 60 LEU CA C 13 54.795 0.450 . 1 . . . . A 57 LEU CA . 11605 1 734 . 1 . 1 60 60 LEU CB C 13 43.682 0.450 . 1 . . . . A 57 LEU CB . 11605 1 735 . 1 . 1 60 60 LEU CG C 13 26.556 0.450 . 1 . . . . A 57 LEU CG . 11605 1 736 . 1 . 1 60 60 LEU CD1 C 13 22.972 0.450 . 1 . . . . A 57 LEU CD1 . 11605 1 737 . 1 . 1 60 60 LEU CD2 C 13 22.972 0.450 . 1 . . . . A 57 LEU CD2 . 11605 1 738 . 1 . 1 60 60 LEU N N 15 120.235 0.450 . 1 . . . . A 57 LEU N . 11605 1 739 . 1 . 1 61 61 ASP H H 1 8.790 0.040 . 1 . . . . A 58 ASP H . 11605 1 740 . 1 . 1 61 61 ASP HA H 1 4.936 0.040 . 1 . . . . A 58 ASP HA . 11605 1 741 . 1 . 1 61 61 ASP HB2 H 1 2.513 0.040 . 2 . . . . A 58 ASP HB2 . 11605 1 742 . 1 . 1 61 61 ASP HB3 H 1 2.742 0.040 . 2 . . . . A 58 ASP HB3 . 11605 1 743 . 1 . 1 61 61 ASP C C 13 174.379 0.450 . 1 . . . . A 58 ASP C . 11605 1 744 . 1 . 1 61 61 ASP CA C 13 52.339 0.450 . 1 . . . . A 58 ASP CA . 11605 1 745 . 1 . 1 61 61 ASP CB C 13 40.681 0.450 . 1 . . . . A 58 ASP CB . 11605 1 746 . 1 . 1 61 61 ASP N N 15 122.453 0.450 . 1 . . . . A 58 ASP N . 11605 1 747 . 1 . 1 62 62 CYS H H 1 8.060 0.040 . 1 . . . . A 59 CYS H . 11605 1 748 . 1 . 1 62 62 CYS HA H 1 4.670 0.040 . 1 . . . . A 59 CYS HA . 11605 1 749 . 1 . 1 62 62 CYS HB2 H 1 2.704 0.040 . 2 . . . . A 59 CYS HB2 . 11605 1 750 . 1 . 1 62 62 CYS HB3 H 1 2.888 0.040 . 2 . . . . A 59 CYS HB3 . 11605 1 751 . 1 . 1 62 62 CYS CA C 13 53.667 0.450 . 1 . . . . A 59 CYS CA . 11605 1 752 . 1 . 1 62 62 CYS CB C 13 27.606 0.450 . 1 . . . . A 59 CYS CB . 11605 1 753 . 1 . 1 62 62 CYS N N 15 114.440 0.450 . 1 . . . . A 59 CYS N . 11605 1 754 . 1 . 1 63 63 PRO HA H 1 4.148 0.040 . 1 . . . . A 60 PRO HA . 11605 1 755 . 1 . 1 63 63 PRO HB2 H 1 2.258 0.040 . 2 . . . . A 60 PRO HB2 . 11605 1 756 . 1 . 1 63 63 PRO HB3 H 1 2.005 0.040 . 2 . . . . A 60 PRO HB3 . 11605 1 757 . 1 . 1 63 63 PRO HG2 H 1 1.685 0.040 . 2 . . . . A 60 PRO HG2 . 11605 1 758 . 1 . 1 63 63 PRO HG3 H 1 1.685 0.040 . 2 . . . . A 60 PRO HG3 . 11605 1 759 . 1 . 1 63 63 PRO HD2 H 1 3.561 0.040 . 2 . . . . A 60 PRO HD2 . 11605 1 760 . 1 . 1 63 63 PRO HD3 H 1 3.691 0.040 . 2 . . . . A 60 PRO HD3 . 11605 1 761 . 1 . 1 63 63 PRO C C 13 179.485 0.450 . 1 . . . . A 60 PRO C . 11605 1 762 . 1 . 1 63 63 PRO CA C 13 65.680 0.450 . 1 . . . . A 60 PRO CA . 11605 1 763 . 1 . 1 63 63 PRO CB C 13 30.877 0.450 . 1 . . . . A 60 PRO CB . 11605 1 764 . 1 . 1 63 63 PRO CG C 13 25.451 0.450 . 1 . . . . A 60 PRO CG . 11605 1 765 . 1 . 1 63 63 PRO CD C 13 51.051 0.450 . 1 . . . . A 60 PRO CD . 11605 1 766 . 1 . 1 64 64 GLU H H 1 9.010 0.040 . 1 . . . . A 61 GLU H . 11605 1 767 . 1 . 1 64 64 GLU HA H 1 4.157 0.040 . 1 . . . . A 61 GLU HA . 11605 1 768 . 1 . 1 64 64 GLU HB2 H 1 2.007 0.040 . 2 . . . . A 61 GLU HB2 . 11605 1 769 . 1 . 1 64 64 GLU HB3 H 1 2.007 0.040 . 2 . . . . A 61 GLU HB3 . 11605 1 770 . 1 . 1 64 64 GLU HG2 H 1 2.314 0.040 . 2 . . . . A 61 GLU HG2 . 11605 1 771 . 1 . 1 64 64 GLU HG3 H 1 2.314 0.040 . 2 . . . . A 61 GLU HG3 . 11605 1 772 . 1 . 1 64 64 GLU C C 13 179.163 0.450 . 1 . . . . A 61 GLU C . 11605 1 773 . 1 . 1 64 64 GLU CA C 13 59.675 0.450 . 1 . . . . A 61 GLU CA . 11605 1 774 . 1 . 1 64 64 GLU CB C 13 28.464 0.450 . 1 . . . . A 61 GLU CB . 11605 1 775 . 1 . 1 64 64 GLU CG C 13 36.434 0.450 . 1 . . . . A 61 GLU CG . 11605 1 776 . 1 . 1 64 64 GLU N N 15 119.208 0.450 . 1 . . . . A 61 GLU N . 11605 1 777 . 1 . 1 65 65 LEU H H 1 7.344 0.040 . 1 . . . . A 62 LEU H . 11605 1 778 . 1 . 1 65 65 LEU HA H 1 4.166 0.040 . 1 . . . . A 62 LEU HA . 11605 1 779 . 1 . 1 65 65 LEU HB2 H 1 1.363 0.040 . 2 . . . . A 62 LEU HB2 . 11605 1 780 . 1 . 1 65 65 LEU HB3 H 1 1.681 0.040 . 2 . . . . A 62 LEU HB3 . 11605 1 781 . 1 . 1 65 65 LEU HG H 1 1.356 0.040 . 1 . . . . A 62 LEU HG . 11605 1 782 . 1 . 1 65 65 LEU HD11 H 1 0.681 0.040 . 2 . . . . A 62 LEU HD11 . 11605 1 783 . 1 . 1 65 65 LEU HD12 H 1 0.681 0.040 . 2 . . . . A 62 LEU HD12 . 11605 1 784 . 1 . 1 65 65 LEU HD13 H 1 0.681 0.040 . 2 . . . . A 62 LEU HD13 . 11605 1 785 . 1 . 1 65 65 LEU HD21 H 1 0.779 0.040 . 2 . . . . A 62 LEU HD21 . 11605 1 786 . 1 . 1 65 65 LEU HD22 H 1 0.779 0.040 . 2 . . . . A 62 LEU HD22 . 11605 1 787 . 1 . 1 65 65 LEU HD23 H 1 0.779 0.040 . 2 . . . . A 62 LEU HD23 . 11605 1 788 . 1 . 1 65 65 LEU C C 13 181.069 0.450 . 1 . . . . A 62 LEU C . 11605 1 789 . 1 . 1 65 65 LEU CA C 13 57.166 0.450 . 1 . . . . A 62 LEU CA . 11605 1 790 . 1 . 1 65 65 LEU CB C 13 41.699 0.450 . 1 . . . . A 62 LEU CB . 11605 1 791 . 1 . 1 65 65 LEU CG C 13 25.580 0.450 . 1 . . . . A 62 LEU CG . 11605 1 792 . 1 . 1 65 65 LEU CD1 C 13 26.153 0.450 . 1 . . . . A 62 LEU CD1 . 11605 1 793 . 1 . 1 65 65 LEU CD2 C 13 22.652 0.450 . 1 . . . . A 62 LEU CD2 . 11605 1 794 . 1 . 1 65 65 LEU N N 15 119.208 0.450 . 1 . . . . A 62 LEU N . 11605 1 795 . 1 . 1 66 66 ILE H H 1 7.642 0.040 . 1 . . . . A 63 ILE H . 11605 1 796 . 1 . 1 66 66 ILE HA H 1 3.324 0.040 . 1 . . . . A 63 ILE HA . 11605 1 797 . 1 . 1 66 66 ILE HB H 1 1.655 0.040 . 1 . . . . A 63 ILE HB . 11605 1 798 . 1 . 1 66 66 ILE HG12 H 1 1.281 0.040 . 2 . . . . A 63 ILE HG12 . 11605 1 799 . 1 . 1 66 66 ILE HG13 H 1 0.162 0.040 . 2 . . . . A 63 ILE HG13 . 11605 1 800 . 1 . 1 66 66 ILE HG21 H 1 0.731 0.040 . 1 . . . . A 63 ILE HG21 . 11605 1 801 . 1 . 1 66 66 ILE HG22 H 1 0.731 0.040 . 1 . . . . A 63 ILE HG22 . 11605 1 802 . 1 . 1 66 66 ILE HG23 H 1 0.731 0.040 . 1 . . . . A 63 ILE HG23 . 11605 1 803 . 1 . 1 66 66 ILE HD11 H 1 0.411 0.040 . 1 . . . . A 63 ILE HD11 . 11605 1 804 . 1 . 1 66 66 ILE HD12 H 1 0.411 0.040 . 1 . . . . A 63 ILE HD12 . 11605 1 805 . 1 . 1 66 66 ILE HD13 H 1 0.411 0.040 . 1 . . . . A 63 ILE HD13 . 11605 1 806 . 1 . 1 66 66 ILE C C 13 177.522 0.450 . 1 . . . . A 63 ILE C . 11605 1 807 . 1 . 1 66 66 ILE CA C 13 65.424 0.450 . 1 . . . . A 63 ILE CA . 11605 1 808 . 1 . 1 66 66 ILE CB C 13 37.901 0.450 . 1 . . . . A 63 ILE CB . 11605 1 809 . 1 . 1 66 66 ILE CG1 C 13 29.200 0.450 . 1 . . . . A 63 ILE CG1 . 11605 1 810 . 1 . 1 66 66 ILE CG2 C 13 17.274 0.450 . 1 . . . . A 63 ILE CG2 . 11605 1 811 . 1 . 1 66 66 ILE CD1 C 13 12.779 0.450 . 1 . . . . A 63 ILE CD1 . 11605 1 812 . 1 . 1 66 66 ILE N N 15 121.177 0.450 . 1 . . . . A 63 ILE N . 11605 1 813 . 1 . 1 67 67 SER H H 1 8.365 0.040 . 1 . . . . A 64 SER H . 11605 1 814 . 1 . 1 67 67 SER HA H 1 4.129 0.040 . 1 . . . . A 64 SER HA . 11605 1 815 . 1 . 1 67 67 SER HB2 H 1 3.936 0.040 . 2 . . . . A 64 SER HB2 . 11605 1 816 . 1 . 1 67 67 SER HB3 H 1 3.936 0.040 . 2 . . . . A 64 SER HB3 . 11605 1 817 . 1 . 1 67 67 SER C C 13 177.402 0.450 . 1 . . . . A 64 SER C . 11605 1 818 . 1 . 1 67 67 SER CA C 13 61.926 0.450 . 1 . . . . A 64 SER CA . 11605 1 819 . 1 . 1 67 67 SER CB C 13 62.260 0.450 . 1 . . . . A 64 SER CB . 11605 1 820 . 1 . 1 67 67 SER N N 15 115.436 0.450 . 1 . . . . A 64 SER N . 11605 1 821 . 1 . 1 68 68 GLU H H 1 7.794 0.040 . 1 . . . . A 65 GLU H . 11605 1 822 . 1 . 1 68 68 GLU HA H 1 4.009 0.040 . 1 . . . . A 65 GLU HA . 11605 1 823 . 1 . 1 68 68 GLU HB2 H 1 2.081 0.040 . 2 . . . . A 65 GLU HB2 . 11605 1 824 . 1 . 1 68 68 GLU HB3 H 1 2.081 0.040 . 2 . . . . A 65 GLU HB3 . 11605 1 825 . 1 . 1 68 68 GLU HG2 H 1 2.349 0.040 . 2 . . . . A 65 GLU HG2 . 11605 1 826 . 1 . 1 68 68 GLU HG3 H 1 2.349 0.040 . 2 . . . . A 65 GLU HG3 . 11605 1 827 . 1 . 1 68 68 GLU C C 13 178.766 0.450 . 1 . . . . A 65 GLU C . 11605 1 828 . 1 . 1 68 68 GLU CA C 13 59.353 0.450 . 1 . . . . A 65 GLU CA . 11605 1 829 . 1 . 1 68 68 GLU CB C 13 29.590 0.450 . 1 . . . . A 65 GLU CB . 11605 1 830 . 1 . 1 68 68 GLU CG C 13 35.537 0.450 . 1 . . . . A 65 GLU CG . 11605 1 831 . 1 . 1 68 68 GLU N N 15 120.245 0.450 . 1 . . . . A 65 GLU N . 11605 1 832 . 1 . 1 69 69 PHE H H 1 7.602 0.040 . 1 . . . . A 66 PHE H . 11605 1 833 . 1 . 1 69 69 PHE HA H 1 4.229 0.040 . 1 . . . . A 66 PHE HA . 11605 1 834 . 1 . 1 69 69 PHE HB2 H 1 3.223 0.040 . 2 . . . . A 66 PHE HB2 . 11605 1 835 . 1 . 1 69 69 PHE HB3 H 1 3.080 0.040 . 2 . . . . A 66 PHE HB3 . 11605 1 836 . 1 . 1 69 69 PHE HD1 H 1 7.063 0.040 . 1 . . . . A 66 PHE HD1 . 11605 1 837 . 1 . 1 69 69 PHE HD2 H 1 7.063 0.040 . 1 . . . . A 66 PHE HD2 . 11605 1 838 . 1 . 1 69 69 PHE HE1 H 1 6.990 0.040 . 1 . . . . A 66 PHE HE1 . 11605 1 839 . 1 . 1 69 69 PHE HE2 H 1 6.990 0.040 . 1 . . . . A 66 PHE HE2 . 11605 1 840 . 1 . 1 69 69 PHE C C 13 177.731 0.450 . 1 . . . . A 66 PHE C . 11605 1 841 . 1 . 1 69 69 PHE CA C 13 61.404 0.450 . 1 . . . . A 66 PHE CA . 11605 1 842 . 1 . 1 69 69 PHE CB C 13 38.917 0.450 . 1 . . . . A 66 PHE CB . 11605 1 843 . 1 . 1 69 69 PHE CD1 C 13 132.648 0.450 . 1 . . . . A 66 PHE CD1 . 11605 1 844 . 1 . 1 69 69 PHE CD2 C 13 132.648 0.450 . 1 . . . . A 66 PHE CD2 . 11605 1 845 . 1 . 1 69 69 PHE CE1 C 13 131.478 0.450 . 1 . . . . A 66 PHE CE1 . 11605 1 846 . 1 . 1 69 69 PHE CE2 C 13 131.478 0.450 . 1 . . . . A 66 PHE CE2 . 11605 1 847 . 1 . 1 69 69 PHE N N 15 120.334 0.450 . 1 . . . . A 66 PHE N . 11605 1 848 . 1 . 1 70 70 MET H H 1 8.790 0.040 . 1 . . . . A 67 MET H . 11605 1 849 . 1 . 1 70 70 MET HA H 1 4.403 0.040 . 1 . . . . A 67 MET HA . 11605 1 850 . 1 . 1 70 70 MET HB2 H 1 2.079 0.040 . 2 . . . . A 67 MET HB2 . 11605 1 851 . 1 . 1 70 70 MET HB3 H 1 2.259 0.040 . 2 . . . . A 67 MET HB3 . 11605 1 852 . 1 . 1 70 70 MET HG2 H 1 2.337 0.040 . 2 . . . . A 67 MET HG2 . 11605 1 853 . 1 . 1 70 70 MET HG3 H 1 2.418 0.040 . 2 . . . . A 67 MET HG3 . 11605 1 854 . 1 . 1 70 70 MET HE1 H 1 1.882 0.040 . 1 . . . . A 67 MET HE1 . 11605 1 855 . 1 . 1 70 70 MET HE2 H 1 1.882 0.040 . 1 . . . . A 67 MET HE2 . 11605 1 856 . 1 . 1 70 70 MET HE3 H 1 1.882 0.040 . 1 . . . . A 67 MET HE3 . 11605 1 857 . 1 . 1 70 70 MET C C 13 179.095 0.450 . 1 . . . . A 67 MET C . 11605 1 858 . 1 . 1 70 70 MET CA C 13 56.015 0.450 . 1 . . . . A 67 MET CA . 11605 1 859 . 1 . 1 70 70 MET CB C 13 30.179 0.450 . 1 . . . . A 67 MET CB . 11605 1 860 . 1 . 1 70 70 MET CG C 13 31.946 0.450 . 1 . . . . A 67 MET CG . 11605 1 861 . 1 . 1 70 70 MET CE C 13 16.731 0.450 . 1 . . . . A 67 MET CE . 11605 1 862 . 1 . 1 70 70 MET N N 15 117.834 0.450 . 1 . . . . A 67 MET N . 11605 1 863 . 1 . 1 71 71 LYS H H 1 7.832 0.040 . 1 . . . . A 68 LYS H . 11605 1 864 . 1 . 1 71 71 LYS HA H 1 4.009 0.040 . 1 . . . . A 68 LYS HA . 11605 1 865 . 1 . 1 71 71 LYS HB2 H 1 1.873 0.040 . 2 . . . . A 68 LYS HB2 . 11605 1 866 . 1 . 1 71 71 LYS HB3 H 1 1.873 0.040 . 2 . . . . A 68 LYS HB3 . 11605 1 867 . 1 . 1 71 71 LYS HG2 H 1 1.389 0.040 . 2 . . . . A 68 LYS HG2 . 11605 1 868 . 1 . 1 71 71 LYS HG3 H 1 1.389 0.040 . 2 . . . . A 68 LYS HG3 . 11605 1 869 . 1 . 1 71 71 LYS HD2 H 1 1.653 0.040 . 2 . . . . A 68 LYS HD2 . 11605 1 870 . 1 . 1 71 71 LYS HD3 H 1 1.653 0.040 . 2 . . . . A 68 LYS HD3 . 11605 1 871 . 1 . 1 71 71 LYS HE2 H 1 2.888 0.040 . 2 . . . . A 68 LYS HE2 . 11605 1 872 . 1 . 1 71 71 LYS HE3 H 1 2.888 0.040 . 2 . . . . A 68 LYS HE3 . 11605 1 873 . 1 . 1 71 71 LYS C C 13 178.608 0.450 . 1 . . . . A 68 LYS C . 11605 1 874 . 1 . 1 71 71 LYS CA C 13 59.406 0.450 . 1 . . . . A 68 LYS CA . 11605 1 875 . 1 . 1 71 71 LYS CB C 13 32.613 0.450 . 1 . . . . A 68 LYS CB . 11605 1 876 . 1 . 1 71 71 LYS CG C 13 25.737 0.450 . 1 . . . . A 68 LYS CG . 11605 1 877 . 1 . 1 71 71 LYS CD C 13 28.399 0.450 . 1 . . . . A 68 LYS CD . 11605 1 878 . 1 . 1 71 71 LYS CE C 13 41.758 0.450 . 1 . . . . A 68 LYS CE . 11605 1 879 . 1 . 1 71 71 LYS N N 15 119.763 0.450 . 1 . . . . A 68 LYS N . 11605 1 880 . 1 . 1 72 72 LYS H H 1 7.163 0.040 . 1 . . . . A 69 LYS H . 11605 1 881 . 1 . 1 72 72 LYS HA H 1 4.121 0.040 . 1 . . . . A 69 LYS HA . 11605 1 882 . 1 . 1 72 72 LYS HB2 H 1 1.739 0.040 . 2 . . . . A 69 LYS HB2 . 11605 1 883 . 1 . 1 72 72 LYS HB3 H 1 1.739 0.040 . 2 . . . . A 69 LYS HB3 . 11605 1 884 . 1 . 1 72 72 LYS HG2 H 1 1.270 0.040 . 2 . . . . A 69 LYS HG2 . 11605 1 885 . 1 . 1 72 72 LYS HG3 H 1 1.270 0.040 . 2 . . . . A 69 LYS HG3 . 11605 1 886 . 1 . 1 72 72 LYS HD2 H 1 1.562 0.040 . 2 . . . . A 69 LYS HD2 . 11605 1 887 . 1 . 1 72 72 LYS HD3 H 1 1.562 0.040 . 2 . . . . A 69 LYS HD3 . 11605 1 888 . 1 . 1 72 72 LYS HE2 H 1 2.909 0.040 . 2 . . . . A 69 LYS HE2 . 11605 1 889 . 1 . 1 72 72 LYS HE3 H 1 2.909 0.040 . 2 . . . . A 69 LYS HE3 . 11605 1 890 . 1 . 1 72 72 LYS C C 13 177.500 0.450 . 1 . . . . A 69 LYS C . 11605 1 891 . 1 . 1 72 72 LYS CA C 13 57.642 0.450 . 1 . . . . A 69 LYS CA . 11605 1 892 . 1 . 1 72 72 LYS CB C 13 32.567 0.450 . 1 . . . . A 69 LYS CB . 11605 1 893 . 1 . 1 72 72 LYS CG C 13 24.762 0.450 . 1 . . . . A 69 LYS CG . 11605 1 894 . 1 . 1 72 72 LYS CD C 13 28.577 0.450 . 1 . . . . A 69 LYS CD . 11605 1 895 . 1 . 1 72 72 LYS CE C 13 42.428 0.450 . 1 . . . . A 69 LYS CE . 11605 1 896 . 1 . 1 72 72 LYS N N 15 117.613 0.450 . 1 . . . . A 69 LYS N . 11605 1 897 . 1 . 1 73 73 TYR H H 1 7.995 0.040 . 1 . . . . A 70 TYR H . 11605 1 898 . 1 . 1 73 73 TYR HA H 1 4.054 0.040 . 1 . . . . A 70 TYR HA . 11605 1 899 . 1 . 1 73 73 TYR HB2 H 1 2.408 0.040 . 2 . . . . A 70 TYR HB2 . 11605 1 900 . 1 . 1 73 73 TYR HB3 H 1 2.788 0.040 . 2 . . . . A 70 TYR HB3 . 11605 1 901 . 1 . 1 73 73 TYR HD1 H 1 7.062 0.040 . 1 . . . . A 70 TYR HD1 . 11605 1 902 . 1 . 1 73 73 TYR HD2 H 1 7.062 0.040 . 1 . . . . A 70 TYR HD2 . 11605 1 903 . 1 . 1 73 73 TYR HE1 H 1 6.918 0.040 . 1 . . . . A 70 TYR HE1 . 11605 1 904 . 1 . 1 73 73 TYR HE2 H 1 6.918 0.040 . 1 . . . . A 70 TYR HE2 . 11605 1 905 . 1 . 1 73 73 TYR C C 13 176.573 0.450 . 1 . . . . A 70 TYR C . 11605 1 906 . 1 . 1 73 73 TYR CA C 13 59.807 0.450 . 1 . . . . A 70 TYR CA . 11605 1 907 . 1 . 1 73 73 TYR CB C 13 39.297 0.450 . 1 . . . . A 70 TYR CB . 11605 1 908 . 1 . 1 73 73 TYR CD1 C 13 134.176 0.450 . 1 . . . . A 70 TYR CD1 . 11605 1 909 . 1 . 1 73 73 TYR CD2 C 13 134.176 0.450 . 1 . . . . A 70 TYR CD2 . 11605 1 910 . 1 . 1 73 73 TYR CE1 C 13 118.333 0.450 . 1 . . . . A 70 TYR CE1 . 11605 1 911 . 1 . 1 73 73 TYR CE2 C 13 118.333 0.450 . 1 . . . . A 70 TYR CE2 . 11605 1 912 . 1 . 1 73 73 TYR N N 15 121.941 0.450 . 1 . . . . A 70 TYR N . 11605 1 913 . 1 . 1 74 74 LYS H H 1 8.047 0.040 . 1 . . . . A 71 LYS H . 11605 1 914 . 1 . 1 74 74 LYS HA H 1 3.960 0.040 . 1 . . . . A 71 LYS HA . 11605 1 915 . 1 . 1 74 74 LYS HB2 H 1 1.745 0.040 . 2 . . . . A 71 LYS HB2 . 11605 1 916 . 1 . 1 74 74 LYS HB3 H 1 1.745 0.040 . 2 . . . . A 71 LYS HB3 . 11605 1 917 . 1 . 1 74 74 LYS HG2 H 1 1.289 0.040 . 2 . . . . A 71 LYS HG2 . 11605 1 918 . 1 . 1 74 74 LYS HG3 H 1 1.397 0.040 . 2 . . . . A 71 LYS HG3 . 11605 1 919 . 1 . 1 74 74 LYS HD2 H 1 1.567 0.040 . 2 . . . . A 71 LYS HD2 . 11605 1 920 . 1 . 1 74 74 LYS HD3 H 1 1.567 0.040 . 2 . . . . A 71 LYS HD3 . 11605 1 921 . 1 . 1 74 74 LYS HE2 H 1 2.913 0.040 . 2 . . . . A 71 LYS HE2 . 11605 1 922 . 1 . 1 74 74 LYS HE3 H 1 2.913 0.040 . 2 . . . . A 71 LYS HE3 . 11605 1 923 . 1 . 1 74 74 LYS C C 13 177.073 0.450 . 1 . . . . A 71 LYS C . 11605 1 924 . 1 . 1 74 74 LYS CA C 13 57.433 0.450 . 1 . . . . A 71 LYS CA . 11605 1 925 . 1 . 1 74 74 LYS CB C 13 32.498 0.450 . 1 . . . . A 71 LYS CB . 11605 1 926 . 1 . 1 74 74 LYS CG C 13 24.990 0.450 . 1 . . . . A 71 LYS CG . 11605 1 927 . 1 . 1 74 74 LYS CD C 13 27.892 0.450 . 1 . . . . A 71 LYS CD . 11605 1 928 . 1 . 1 74 74 LYS CE C 13 42.719 0.450 . 1 . . . . A 71 LYS CE . 11605 1 929 . 1 . 1 74 74 LYS N N 15 120.150 0.450 . 1 . . . . A 71 LYS N . 11605 1 930 . 1 . 1 75 75 LYS H H 1 7.495 0.040 . 1 . . . . A 72 LYS H . 11605 1 931 . 1 . 1 75 75 LYS HA H 1 4.117 0.040 . 1 . . . . A 72 LYS HA . 11605 1 932 . 1 . 1 75 75 LYS HB2 H 1 1.759 0.040 . 2 . . . . A 72 LYS HB2 . 11605 1 933 . 1 . 1 75 75 LYS HB3 H 1 1.759 0.040 . 2 . . . . A 72 LYS HB3 . 11605 1 934 . 1 . 1 75 75 LYS HG2 H 1 1.369 0.040 . 2 . . . . A 72 LYS HG2 . 11605 1 935 . 1 . 1 75 75 LYS HG3 H 1 1.369 0.040 . 2 . . . . A 72 LYS HG3 . 11605 1 936 . 1 . 1 75 75 LYS HD2 H 1 1.653 0.040 . 2 . . . . A 72 LYS HD2 . 11605 1 937 . 1 . 1 75 75 LYS HD3 H 1 1.653 0.040 . 2 . . . . A 72 LYS HD3 . 11605 1 938 . 1 . 1 75 75 LYS HE2 H 1 2.932 0.040 . 2 . . . . A 72 LYS HE2 . 11605 1 939 . 1 . 1 75 75 LYS HE3 H 1 2.932 0.040 . 2 . . . . A 72 LYS HE3 . 11605 1 940 . 1 . 1 75 75 LYS C C 13 177.560 0.450 . 1 . . . . A 72 LYS C . 11605 1 941 . 1 . 1 75 75 LYS CA C 13 57.501 0.450 . 1 . . . . A 72 LYS CA . 11605 1 942 . 1 . 1 75 75 LYS CB C 13 32.532 0.450 . 1 . . . . A 72 LYS CB . 11605 1 943 . 1 . 1 75 75 LYS CG C 13 24.835 0.450 . 1 . . . . A 72 LYS CG . 11605 1 944 . 1 . 1 75 75 LYS CD C 13 29.083 0.450 . 1 . . . . A 72 LYS CD . 11605 1 945 . 1 . 1 75 75 LYS CE C 13 41.765 0.450 . 1 . . . . A 72 LYS CE . 11605 1 946 . 1 . 1 75 75 LYS N N 15 119.536 0.450 . 1 . . . . A 72 LYS N . 11605 1 947 . 1 . 1 76 76 MET H H 1 8.070 0.040 . 1 . . . . A 73 MET H . 11605 1 948 . 1 . 1 76 76 MET HA H 1 4.276 0.040 . 1 . . . . A 73 MET HA . 11605 1 949 . 1 . 1 76 76 MET HB2 H 1 2.059 0.040 . 2 . . . . A 73 MET HB2 . 11605 1 950 . 1 . 1 76 76 MET HB3 H 1 2.059 0.040 . 2 . . . . A 73 MET HB3 . 11605 1 951 . 1 . 1 76 76 MET HG2 H 1 2.480 0.040 . 2 . . . . A 73 MET HG2 . 11605 1 952 . 1 . 1 76 76 MET HG3 H 1 2.599 0.040 . 2 . . . . A 73 MET HG3 . 11605 1 953 . 1 . 1 76 76 MET HE1 H 1 2.051 0.040 . 1 . . . . A 73 MET HE1 . 11605 1 954 . 1 . 1 76 76 MET HE2 H 1 2.051 0.040 . 1 . . . . A 73 MET HE2 . 11605 1 955 . 1 . 1 76 76 MET HE3 H 1 2.051 0.040 . 1 . . . . A 73 MET HE3 . 11605 1 956 . 1 . 1 76 76 MET C C 13 177.073 0.450 . 1 . . . . A 73 MET C . 11605 1 957 . 1 . 1 76 76 MET CA C 13 56.615 0.450 . 1 . . . . A 73 MET CA . 11605 1 958 . 1 . 1 76 76 MET CB C 13 33.009 0.450 . 1 . . . . A 73 MET CB . 11605 1 959 . 1 . 1 76 76 MET CG C 13 31.884 0.450 . 1 . . . . A 73 MET CG . 11605 1 960 . 1 . 1 76 76 MET CE C 13 16.891 0.450 . 1 . . . . A 73 MET CE . 11605 1 961 . 1 . 1 76 76 MET N N 15 120.149 0.450 . 1 . . . . A 73 MET N . 11605 1 962 . 1 . 1 77 77 LYS H H 1 8.165 0.040 . 1 . . . . A 74 LYS H . 11605 1 963 . 1 . 1 77 77 LYS HA H 1 4.283 0.040 . 1 . . . . A 74 LYS HA . 11605 1 964 . 1 . 1 77 77 LYS HB2 H 1 1.750 0.040 . 2 . . . . A 74 LYS HB2 . 11605 1 965 . 1 . 1 77 77 LYS HB3 H 1 1.750 0.040 . 2 . . . . A 74 LYS HB3 . 11605 1 966 . 1 . 1 77 77 LYS HG2 H 1 1.280 0.040 . 2 . . . . A 74 LYS HG2 . 11605 1 967 . 1 . 1 77 77 LYS HG3 H 1 1.353 0.040 . 2 . . . . A 74 LYS HG3 . 11605 1 968 . 1 . 1 77 77 LYS HD2 H 1 1.617 0.040 . 2 . . . . A 74 LYS HD2 . 11605 1 969 . 1 . 1 77 77 LYS HD3 H 1 1.617 0.040 . 2 . . . . A 74 LYS HD3 . 11605 1 970 . 1 . 1 77 77 LYS HE2 H 1 2.925 0.040 . 2 . . . . A 74 LYS HE2 . 11605 1 971 . 1 . 1 77 77 LYS HE3 H 1 2.925 0.040 . 2 . . . . A 74 LYS HE3 . 11605 1 972 . 1 . 1 77 77 LYS C C 13 177.121 0.450 . 1 . . . . A 74 LYS C . 11605 1 973 . 1 . 1 77 77 LYS CA C 13 56.458 0.450 . 1 . . . . A 74 LYS CA . 11605 1 974 . 1 . 1 77 77 LYS CB C 13 32.479 0.450 . 1 . . . . A 74 LYS CB . 11605 1 975 . 1 . 1 77 77 LYS CG C 13 24.738 0.450 . 1 . . . . A 74 LYS CG . 11605 1 976 . 1 . 1 77 77 LYS CD C 13 27.899 0.450 . 1 . . . . A 74 LYS CD . 11605 1 977 . 1 . 1 77 77 LYS CE C 13 41.702 0.450 . 1 . . . . A 74 LYS CE . 11605 1 978 . 1 . 1 77 77 LYS N N 15 120.821 0.450 . 1 . . . . A 74 LYS N . 11605 1 979 . 1 . 1 78 78 GLU H H 1 8.233 0.040 . 1 . . . . A 75 GLU H . 11605 1 980 . 1 . 1 78 78 GLU HA H 1 4.184 0.040 . 1 . . . . A 75 GLU HA . 11605 1 981 . 1 . 1 78 78 GLU HB2 H 1 2.000 0.040 . 2 . . . . A 75 GLU HB2 . 11605 1 982 . 1 . 1 78 78 GLU HB3 H 1 2.014 0.040 . 2 . . . . A 75 GLU HB3 . 11605 1 983 . 1 . 1 78 78 GLU HG2 H 1 2.235 0.040 . 2 . . . . A 75 GLU HG2 . 11605 1 984 . 1 . 1 78 78 GLU HG3 H 1 2.235 0.040 . 2 . . . . A 75 GLU HG3 . 11605 1 985 . 1 . 1 78 78 GLU C C 13 177.330 0.450 . 1 . . . . A 75 GLU C . 11605 1 986 . 1 . 1 78 78 GLU CA C 13 57.036 0.450 . 1 . . . . A 75 GLU CA . 11605 1 987 . 1 . 1 78 78 GLU CB C 13 30.332 0.450 . 1 . . . . A 75 GLU CB . 11605 1 988 . 1 . 1 78 78 GLU CG C 13 36.266 0.450 . 1 . . . . A 75 GLU CG . 11605 1 989 . 1 . 1 78 78 GLU N N 15 121.253 0.450 . 1 . . . . A 75 GLU N . 11605 1 990 . 1 . 1 79 79 GLY H H 1 8.266 0.040 . 1 . . . . A 76 GLY H . 11605 1 991 . 1 . 1 79 79 GLY HA2 H 1 3.938 0.040 . 2 . . . . A 76 GLY HA2 . 11605 1 992 . 1 . 1 79 79 GLY HA3 H 1 3.938 0.040 . 2 . . . . A 76 GLY HA3 . 11605 1 993 . 1 . 1 79 79 GLY C C 13 174.379 0.450 . 1 . . . . A 76 GLY C . 11605 1 994 . 1 . 1 79 79 GLY CA C 13 45.292 0.450 . 1 . . . . A 76 GLY CA . 11605 1 995 . 1 . 1 79 79 GLY N N 15 109.108 0.450 . 1 . . . . A 76 GLY N . 11605 1 996 . 1 . 1 80 80 GLU H H 1 8.069 0.040 . 1 . . . . A 77 GLU H . 11605 1 997 . 1 . 1 80 80 GLU HA H 1 4.277 0.040 . 1 . . . . A 77 GLU HA . 11605 1 998 . 1 . 1 80 80 GLU HB2 H 1 1.902 0.040 . 2 . . . . A 77 GLU HB2 . 11605 1 999 . 1 . 1 80 80 GLU HB3 H 1 2.001 0.040 . 2 . . . . A 77 GLU HB3 . 11605 1 1000 . 1 . 1 80 80 GLU HG2 H 1 2.220 0.040 . 2 . . . . A 77 GLU HG2 . 11605 1 1001 . 1 . 1 80 80 GLU HG3 H 1 2.220 0.040 . 2 . . . . A 77 GLU HG3 . 11605 1 1002 . 1 . 1 80 80 GLU C C 13 176.343 0.450 . 1 . . . . A 77 GLU C . 11605 1 1003 . 1 . 1 80 80 GLU CA C 13 56.697 0.450 . 1 . . . . A 77 GLU CA . 11605 1 1004 . 1 . 1 80 80 GLU CB C 13 30.468 0.450 . 1 . . . . A 77 GLU CB . 11605 1 1005 . 1 . 1 80 80 GLU CG C 13 36.222 0.450 . 1 . . . . A 77 GLU CG . 11605 1 1006 . 1 . 1 80 80 GLU N N 15 120.157 0.450 . 1 . . . . A 77 GLU N . 11605 1 1007 . 1 . 1 81 81 ASN H H 1 8.423 0.040 . 1 . . . . A 78 ASN H . 11605 1 1008 . 1 . 1 81 81 ASN HA H 1 4.689 0.040 . 1 . . . . A 78 ASN HA . 11605 1 1009 . 1 . 1 81 81 ASN HB2 H 1 2.709 0.040 . 2 . . . . A 78 ASN HB2 . 11605 1 1010 . 1 . 1 81 81 ASN HB3 H 1 2.811 0.040 . 2 . . . . A 78 ASN HB3 . 11605 1 1011 . 1 . 1 81 81 ASN HD21 H 1 7.579 0.040 . 2 . . . . A 78 ASN HD21 . 11605 1 1012 . 1 . 1 81 81 ASN HD22 H 1 6.926 0.040 . 2 . . . . A 78 ASN HD22 . 11605 1 1013 . 1 . 1 81 81 ASN C C 13 174.770 0.450 . 1 . . . . A 78 ASN C . 11605 1 1014 . 1 . 1 81 81 ASN CA C 13 53.212 0.450 . 1 . . . . A 78 ASN CA . 11605 1 1015 . 1 . 1 81 81 ASN CB C 13 38.763 0.450 . 1 . . . . A 78 ASN CB . 11605 1 1016 . 1 . 1 81 81 ASN N N 15 118.724 0.450 . 1 . . . . A 78 ASN N . 11605 1 1017 . 1 . 1 81 81 ASN ND2 N 15 113.113 0.450 . 1 . . . . A 78 ASN ND2 . 11605 1 1018 . 1 . 1 82 82 ASN H H 1 8.291 0.040 . 1 . . . . A 79 ASN H . 11605 1 1019 . 1 . 1 82 82 ASN HA H 1 4.668 0.040 . 1 . . . . A 79 ASN HA . 11605 1 1020 . 1 . 1 82 82 ASN HB2 H 1 2.711 0.040 . 2 . . . . A 79 ASN HB2 . 11605 1 1021 . 1 . 1 82 82 ASN HB3 H 1 2.798 0.040 . 2 . . . . A 79 ASN HB3 . 11605 1 1022 . 1 . 1 82 82 ASN HD21 H 1 7.576 0.040 . 2 . . . . A 79 ASN HD21 . 11605 1 1023 . 1 . 1 82 82 ASN HD22 H 1 6.898 0.040 . 2 . . . . A 79 ASN HD22 . 11605 1 1024 . 1 . 1 82 82 ASN C C 13 174.112 0.450 . 1 . . . . A 79 ASN C . 11605 1 1025 . 1 . 1 82 82 ASN CA C 13 53.235 0.450 . 1 . . . . A 79 ASN CA . 11605 1 1026 . 1 . 1 82 82 ASN CB C 13 38.574 0.450 . 1 . . . . A 79 ASN CB . 11605 1 1027 . 1 . 1 82 82 ASN N N 15 119.195 0.450 . 1 . . . . A 79 ASN N . 11605 1 1028 . 1 . 1 82 82 ASN ND2 N 15 112.388 0.450 . 1 . . . . A 79 ASN ND2 . 11605 1 1029 . 1 . 1 83 83 LYS H H 1 7.819 0.040 . 1 . . . . A 80 LYS H . 11605 1 1030 . 1 . 1 83 83 LYS CA C 13 57.719 0.450 . 1 . . . . A 80 LYS CA . 11605 1 1031 . 1 . 1 83 83 LYS CB C 13 33.547 0.450 . 1 . . . . A 80 LYS CB . 11605 1 1032 . 1 . 1 83 83 LYS N N 15 126.171 0.450 . 1 . . . . A 80 LYS N . 11605 1 stop_ save_