data_25797 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25797 _Entry.Title ; The structural and functional effects of the Familial Hypertrophic Cardiomyopathy-linked cardiac troponin C mutation, L29Q ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-06 _Entry.Accession_date 2015-09-14 _Entry.Last_release_date 2015-11-17 _Entry.Original_release_date 2015-11-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Ian Robertson . M . . 25797 2 Ivanka Sevrieva . . . . 25797 3 Monica Li . X . . 25797 4 Malcolm Irving . . . . 25797 5 Yin-Biao Sun . . . . 25797 6 Brian Sykes . . . . 25797 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' . 25797 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Cardiac . 25797 L29Q . 25797 'NMR Spectroscopy' . 25797 'hypertrophic cardiomyopathy' . 25797 'troponin C' . 25797 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25797 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 281 25797 '15N chemical shifts' 91 25797 '1H chemical shifts' 554 25797 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 . . 2016-07-22 2015-09-06 update BMRB 'update entry citation' 25797 1 . . 2015-11-17 2015-09-06 original author 'original release' 25797 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1AP4 . 25797 PDB 1R2U . 25797 PDB 2CTN . 25797 PDB 2MLF . 25797 PDB 2N79 'BMRB Entry Tracking System' 25797 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25797 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26341255 _Citation.Full_citation . _Citation.Title ; The structural and functional effects of the Familial Hypertrophic Cardiomyopathy-linked cardiac troponin C mutation, L29 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Cell. Cardiol.' _Citation.Journal_name_full . _Citation.Journal_volume 87 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 257 _Citation.Page_last 269 _Citation.Year 2015 _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 Ian Robertson . . . . 25797 1 2 Ivanka Sevrieva . . . . 25797 1 3 Monica Li . . . . 25797 1 4 Malcolm Irving . . . . 25797 1 5 Yin-Biao Sun . . . . 25797 1 6 Brian Sykes . . . . 25797 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25797 _Assembly.ID 1 _Assembly.Name 'cardiac troponin C' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 25797 1 2 entity_CA 2 $entity_CA B . no native no no . . . 25797 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 entity_1 1 ASP 65 65 OD1 . 2 entity_CA 2 CA 1 1 CA . . 65 ASP OD1 . . . . CA 25797 1 2 coordination single . 1 entity_1 1 ASP 67 67 OD1 . 2 entity_CA 2 CA 1 1 CA . . 67 ASP OD1 . . . . CA 25797 1 3 coordination single . 1 entity_1 1 SER 69 69 OG . 2 entity_CA 2 CA 1 1 CA . . 69 SER OG . . . . CA 25797 1 4 coordination single . 1 entity_1 1 THR 71 71 O . 2 entity_CA 2 CA 1 1 CA . . 71 THR O . . . . CA 25797 1 5 coordination single . 1 entity_1 1 GLU 76 76 OE1 . 2 entity_CA 2 CA 1 1 CA . . 76 GLU OE1 . . . . CA 25797 1 6 coordination single . 1 entity_1 1 GLU 76 76 OE2 . 2 entity_CA 2 CA 1 1 CA . . 76 GLU OE2 . . . . CA 25797 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25797 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDDIYKAAVEQLTEEQKNEF KAAFDIFVQGAEDGSISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRSMKDDS ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10053.211 _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 MET . 25797 1 2 2 ASP . 25797 1 3 3 ASP . 25797 1 4 4 ILE . 25797 1 5 5 TYR . 25797 1 6 6 LYS . 25797 1 7 7 ALA . 25797 1 8 8 ALA . 25797 1 9 9 VAL . 25797 1 10 10 GLU . 25797 1 11 11 GLN . 25797 1 12 12 LEU . 25797 1 13 13 THR . 25797 1 14 14 GLU . 25797 1 15 15 GLU . 25797 1 16 16 GLN . 25797 1 17 17 LYS . 25797 1 18 18 ASN . 25797 1 19 19 GLU . 25797 1 20 20 PHE . 25797 1 21 21 LYS . 25797 1 22 22 ALA . 25797 1 23 23 ALA . 25797 1 24 24 PHE . 25797 1 25 25 ASP . 25797 1 26 26 ILE . 25797 1 27 27 PHE . 25797 1 28 28 VAL . 25797 1 29 29 GLN . 25797 1 30 30 GLY . 25797 1 31 31 ALA . 25797 1 32 32 GLU . 25797 1 33 33 ASP . 25797 1 34 34 GLY . 25797 1 35 35 SER . 25797 1 36 36 ILE . 25797 1 37 37 SER . 25797 1 38 38 THR . 25797 1 39 39 LYS . 25797 1 40 40 GLU . 25797 1 41 41 LEU . 25797 1 42 42 GLY . 25797 1 43 43 LYS . 25797 1 44 44 VAL . 25797 1 45 45 MET . 25797 1 46 46 ARG . 25797 1 47 47 MET . 25797 1 48 48 LEU . 25797 1 49 49 GLY . 25797 1 50 50 GLN . 25797 1 51 51 ASN . 25797 1 52 52 PRO . 25797 1 53 53 THR . 25797 1 54 54 PRO . 25797 1 55 55 GLU . 25797 1 56 56 GLU . 25797 1 57 57 LEU . 25797 1 58 58 GLN . 25797 1 59 59 GLU . 25797 1 60 60 MET . 25797 1 61 61 ILE . 25797 1 62 62 ASP . 25797 1 63 63 GLU . 25797 1 64 64 VAL . 25797 1 65 65 ASP . 25797 1 66 66 GLU . 25797 1 67 67 ASP . 25797 1 68 68 GLY . 25797 1 69 69 SER . 25797 1 70 70 GLY . 25797 1 71 71 THR . 25797 1 72 72 VAL . 25797 1 73 73 ASP . 25797 1 74 74 PHE . 25797 1 75 75 ASP . 25797 1 76 76 GLU . 25797 1 77 77 PHE . 25797 1 78 78 LEU . 25797 1 79 79 VAL . 25797 1 80 80 MET . 25797 1 81 81 MET . 25797 1 82 82 VAL . 25797 1 83 83 ARG . 25797 1 84 84 SER . 25797 1 85 85 MET . 25797 1 86 86 LYS . 25797 1 87 87 ASP . 25797 1 88 88 ASP . 25797 1 89 89 SER . 25797 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25797 1 . ASP 2 2 25797 1 . ASP 3 3 25797 1 . ILE 4 4 25797 1 . TYR 5 5 25797 1 . LYS 6 6 25797 1 . ALA 7 7 25797 1 . ALA 8 8 25797 1 . VAL 9 9 25797 1 . GLU 10 10 25797 1 . GLN 11 11 25797 1 . LEU 12 12 25797 1 . THR 13 13 25797 1 . GLU 14 14 25797 1 . GLU 15 15 25797 1 . GLN 16 16 25797 1 . LYS 17 17 25797 1 . ASN 18 18 25797 1 . GLU 19 19 25797 1 . PHE 20 20 25797 1 . LYS 21 21 25797 1 . ALA 22 22 25797 1 . ALA 23 23 25797 1 . PHE 24 24 25797 1 . ASP 25 25 25797 1 . ILE 26 26 25797 1 . PHE 27 27 25797 1 . VAL 28 28 25797 1 . GLN 29 29 25797 1 . GLY 30 30 25797 1 . ALA 31 31 25797 1 . GLU 32 32 25797 1 . ASP 33 33 25797 1 . GLY 34 34 25797 1 . SER 35 35 25797 1 . ILE 36 36 25797 1 . SER 37 37 25797 1 . THR 38 38 25797 1 . LYS 39 39 25797 1 . GLU 40 40 25797 1 . LEU 41 41 25797 1 . GLY 42 42 25797 1 . LYS 43 43 25797 1 . VAL 44 44 25797 1 . MET 45 45 25797 1 . ARG 46 46 25797 1 . MET 47 47 25797 1 . LEU 48 48 25797 1 . GLY 49 49 25797 1 . GLN 50 50 25797 1 . ASN 51 51 25797 1 . PRO 52 52 25797 1 . THR 53 53 25797 1 . PRO 54 54 25797 1 . GLU 55 55 25797 1 . GLU 56 56 25797 1 . LEU 57 57 25797 1 . GLN 58 58 25797 1 . GLU 59 59 25797 1 . MET 60 60 25797 1 . ILE 61 61 25797 1 . ASP 62 62 25797 1 . GLU 63 63 25797 1 . VAL 64 64 25797 1 . ASP 65 65 25797 1 . GLU 66 66 25797 1 . ASP 67 67 25797 1 . GLY 68 68 25797 1 . SER 69 69 25797 1 . GLY 70 70 25797 1 . THR 71 71 25797 1 . VAL 72 72 25797 1 . ASP 73 73 25797 1 . PHE 74 74 25797 1 . ASP 75 75 25797 1 . GLU 76 76 25797 1 . PHE 77 77 25797 1 . LEU 78 78 25797 1 . VAL 79 79 25797 1 . MET 80 80 25797 1 . MET 81 81 25797 1 . VAL 82 82 25797 1 . ARG 83 83 25797 1 . SER 84 84 25797 1 . MET 85 85 25797 1 . LYS 86 86 25797 1 . ASP 87 87 25797 1 . ASP 88 88 25797 1 . SER 89 89 25797 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 25797 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 25797 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 25797 2 CA 'Three letter code' 25797 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 25797 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25797 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25797 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 25797 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET-3a . . . 25797 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 25797 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 25797 CA InChI=1S/Ca/q+2 InChI InChI 1.03 25797 CA [Ca++] SMILES CACTVS 3.341 25797 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 25797 CA [Ca+2] SMILES ACDLabs 10.04 25797 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 25797 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25797 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 25797 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25797 CA 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 CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25797 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25797 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . protein . 0.3 0.4 mM . . . . 25797 1 2 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25797 1 3 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25797 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25797 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.126 . M 25797 1 pH 6.7 . pH 25797 1 pressure 1 . atm 25797 1 temperature 303 . K 25797 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25797 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 25797 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25797 1 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 25797 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25797 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 25797 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 25797 1 2 spectrometer_2 Varian Unity . 600 . . . 25797 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 25797 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25797 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25797 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25797 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25797 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25797 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25797 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25797 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25797 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25797 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25797 1 11 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25797 1 12 HN(CO)HB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25797 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 25797 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25797 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25797 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25797 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 25797 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25797 1 4 '3D C(CO)NH' 1 $sample_1 isotropic 25797 1 5 '3D HNCACB' 1 $sample_1 isotropic 25797 1 8 '3D H(CCO)NH' 1 $sample_1 isotropic 25797 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 1 1 MET HE1 H 1 2.0740 . . 1 . . . C 1 MET HE1 . 25797 1 2 . 1 1 1 1 MET HE2 H 1 2.0740 . . 1 . . . C 1 MET HE2 . 25797 1 3 . 1 1 1 1 MET HE3 H 1 2.0740 . . 1 . . . C 1 MET HE3 . 25797 1 4 . 1 1 1 1 MET CE C 13 16.8360 . . 1 . . . C 1 MET CE . 25797 1 5 . 1 1 2 2 ASP HA H 1 4.6480 . . 1 . . . C 2 ASP HA . 25797 1 6 . 1 1 2 2 ASP HB3 H 1 2.6840 . . 1 . . . C 2 ASP HB3 . 25797 1 7 . 1 1 2 2 ASP CA C 13 54.8070 . . 1 . . . C 2 ASP CA . 25797 1 8 . 1 1 2 2 ASP CB C 13 41.8040 . . 1 . . . C 2 ASP CB . 25797 1 9 . 1 1 3 3 ASP H H 1 8.5460 . . 1 . . . C 3 ASP H . 25797 1 10 . 1 1 3 3 ASP HA H 1 4.4620 . . 1 . . . C 3 ASP HA . 25797 1 11 . 1 1 3 3 ASP HB2 H 1 2.6480 . . 2 . . . C 3 ASP HB2 . 25797 1 12 . 1 1 3 3 ASP HB3 H 1 2.6960 . . 2 . . . C 3 ASP HB3 . 25797 1 13 . 1 1 3 3 ASP CA C 13 56.1270 . . 1 . . . C 3 ASP CA . 25797 1 14 . 1 1 3 3 ASP CB C 13 41.1490 . . 1 . . . C 3 ASP CB . 25797 1 15 . 1 1 3 3 ASP N N 15 122.8120 . . 1 . . . C 3 ASP N . 25797 1 16 . 1 1 4 4 ILE H H 1 8.2450 . . 1 . . . C 4 ILE H . 25797 1 17 . 1 1 4 4 ILE HA H 1 3.9190 . . 1 . . . C 4 ILE HA . 25797 1 18 . 1 1 4 4 ILE HB H 1 1.6640 . . 1 . . . C 4 ILE HB . 25797 1 19 . 1 1 4 4 ILE HG13 H 1 0.9560 . . 2 . . . C 4 ILE HG13 . 25797 1 20 . 1 1 4 4 ILE HG21 H 1 0.5870 . . 1 . . . C 4 ILE HG21 . 25797 1 21 . 1 1 4 4 ILE HG22 H 1 0.5870 . . 1 . . . C 4 ILE HG22 . 25797 1 22 . 1 1 4 4 ILE HG23 H 1 0.5870 . . 1 . . . C 4 ILE HG23 . 25797 1 23 . 1 1 4 4 ILE HD11 H 1 0.6930 . . 1 . . . C 4 ILE HD11 . 25797 1 24 . 1 1 4 4 ILE HD12 H 1 0.6930 . . 1 . . . C 4 ILE HD12 . 25797 1 25 . 1 1 4 4 ILE HD13 H 1 0.6930 . . 1 . . . C 4 ILE HD13 . 25797 1 26 . 1 1 4 4 ILE CA C 13 63.6900 . . 1 . . . C 4 ILE CA . 25797 1 27 . 1 1 4 4 ILE CB C 13 37.7220 . . 1 . . . C 4 ILE CB . 25797 1 28 . 1 1 4 4 ILE CG1 C 13 27.1470 . . 1 . . . C 4 ILE CG1 . 25797 1 29 . 1 1 4 4 ILE CG2 C 13 17.1390 . . 1 . . . C 4 ILE CG2 . 25797 1 30 . 1 1 4 4 ILE CD1 C 13 13.2990 . . 1 . . . C 4 ILE CD1 . 25797 1 31 . 1 1 4 4 ILE N N 15 119.4210 . . 1 . . . C 4 ILE N . 25797 1 32 . 1 1 5 5 TYR H H 1 7.6310 . . 1 . . . C 5 TYR H . 25797 1 33 . 1 1 5 5 TYR HA H 1 4.4680 . . 1 . . . C 5 TYR HA . 25797 1 34 . 1 1 5 5 TYR HB2 H 1 3.1070 . . 2 . . . C 5 TYR HB2 . 25797 1 35 . 1 1 5 5 TYR HB3 H 1 2.9050 . . 2 . . . C 5 TYR HB3 . 25797 1 36 . 1 1 5 5 TYR HD1 H 1 7.0660 . . 3 . . . C 5 TYR HD1 . 25797 1 37 . 1 1 5 5 TYR HE1 H 1 6.8070 . . 3 . . . C 5 TYR HE1 . 25797 1 38 . 1 1 5 5 TYR CA C 13 59.6890 . . 1 . . . C 5 TYR CA . 25797 1 39 . 1 1 5 5 TYR CB C 13 37.9090 . . 1 . . . C 5 TYR CB . 25797 1 40 . 1 1 5 5 TYR CD1 C 13 132.5810 . . 3 . . . C 5 TYR CD1 . 25797 1 41 . 1 1 5 5 TYR CE1 C 13 118.5690 . . 3 . . . C 5 TYR CE1 . 25797 1 42 . 1 1 5 5 TYR N N 15 120.8920 . . 1 . . . C 5 TYR N . 25797 1 43 . 1 1 6 6 LYS H H 1 7.9020 . . 1 . . . C 6 LYS H . 25797 1 44 . 1 1 6 6 LYS HA H 1 3.9870 . . 1 . . . C 6 LYS HA . 25797 1 45 . 1 1 6 6 LYS HB3 H 1 1.8500 . . 2 . . . C 6 LYS HB3 . 25797 1 46 . 1 1 6 6 LYS HG2 H 1 1.4910 . . 2 . . . C 6 LYS HG2 . 25797 1 47 . 1 1 6 6 LYS HG3 H 1 1.4080 . . 2 . . . C 6 LYS HG3 . 25797 1 48 . 1 1 6 6 LYS HD3 H 1 1.7030 . . 2 . . . C 6 LYS HD3 . 25797 1 49 . 1 1 6 6 LYS HE3 H 1 3.0030 . . 2 . . . C 6 LYS HE3 . 25797 1 50 . 1 1 6 6 LYS CA C 13 59.5860 . . 1 . . . C 6 LYS CA . 25797 1 51 . 1 1 6 6 LYS CB C 13 32.5290 . . 1 . . . C 6 LYS CB . 25797 1 52 . 1 1 6 6 LYS CG C 13 25.2270 . . 1 . . . C 6 LYS CG . 25797 1 53 . 1 1 6 6 LYS CD C 13 29.4570 . . 1 . . . C 6 LYS CD . 25797 1 54 . 1 1 6 6 LYS N N 15 120.7090 . . 1 . . . C 6 LYS N . 25797 1 55 . 1 1 7 7 ALA H H 1 7.9280 . . 1 . . . C 7 ALA H . 25797 1 56 . 1 1 7 7 ALA HA H 1 4.1570 . . 1 . . . C 7 ALA HA . 25797 1 57 . 1 1 7 7 ALA HB1 H 1 1.4080 . . 1 . . . C 7 ALA HB1 . 25797 1 58 . 1 1 7 7 ALA HB2 H 1 1.4080 . . 1 . . . C 7 ALA HB2 . 25797 1 59 . 1 1 7 7 ALA HB3 H 1 1.4080 . . 1 . . . C 7 ALA HB3 . 25797 1 60 . 1 1 7 7 ALA CA C 13 54.5430 . . 1 . . . C 7 ALA CA . 25797 1 61 . 1 1 7 7 ALA CB C 13 18.0130 . . 1 . . . C 7 ALA CB . 25797 1 62 . 1 1 7 7 ALA N N 15 120.4070 . . 1 . . . C 7 ALA N . 25797 1 63 . 1 1 8 8 ALA H H 1 7.5380 . . 1 . . . C 8 ALA H . 25797 1 64 . 1 1 8 8 ALA HA H 1 4.1750 . . 1 . . . C 8 ALA HA . 25797 1 65 . 1 1 8 8 ALA HB1 H 1 1.5470 . . 1 . . . C 8 ALA HB1 . 25797 1 66 . 1 1 8 8 ALA HB2 H 1 1.5470 . . 1 . . . C 8 ALA HB2 . 25797 1 67 . 1 1 8 8 ALA HB3 H 1 1.5470 . . 1 . . . C 8 ALA HB3 . 25797 1 68 . 1 1 8 8 ALA CA C 13 54.5670 . . 1 . . . C 8 ALA CA . 25797 1 69 . 1 1 8 8 ALA CB C 13 18.4660 . . 1 . . . C 8 ALA CB . 25797 1 70 . 1 1 8 8 ALA N N 15 120.0040 . . 1 . . . C 8 ALA N . 25797 1 71 . 1 1 9 9 VAL H H 1 8.0970 . . 1 . . . C 9 VAL H . 25797 1 72 . 1 1 9 9 VAL HA H 1 3.5820 . . 1 . . . C 9 VAL HA . 25797 1 73 . 1 1 9 9 VAL HB H 1 2.2080 . . 1 . . . C 9 VAL HB . 25797 1 74 . 1 1 9 9 VAL HG11 H 1 0.9460 . . 2 . . . C 9 VAL HG11 . 25797 1 75 . 1 1 9 9 VAL HG12 H 1 0.9460 . . 2 . . . C 9 VAL HG12 . 25797 1 76 . 1 1 9 9 VAL HG13 H 1 0.9460 . . 2 . . . C 9 VAL HG13 . 25797 1 77 . 1 1 9 9 VAL HG21 H 1 0.9890 . . 2 . . . C 9 VAL HG21 . 25797 1 78 . 1 1 9 9 VAL HG22 H 1 0.9890 . . 2 . . . C 9 VAL HG22 . 25797 1 79 . 1 1 9 9 VAL HG23 H 1 0.9890 . . 2 . . . C 9 VAL HG23 . 25797 1 80 . 1 1 9 9 VAL CA C 13 66.1630 . . 1 . . . C 9 VAL CA . 25797 1 81 . 1 1 9 9 VAL CB C 13 31.8730 . . 1 . . . C 9 VAL CB . 25797 1 82 . 1 1 9 9 VAL CG1 C 13 21.9610 . . 2 . . . C 9 VAL CG1 . 25797 1 83 . 1 1 9 9 VAL CG2 C 13 23.3670 . . 2 . . . C 9 VAL CG2 . 25797 1 84 . 1 1 9 9 VAL N N 15 119.1080 . . 1 . . . C 9 VAL N . 25797 1 85 . 1 1 10 10 GLU H H 1 7.8210 . . 1 . . . C 10 GLU H . 25797 1 86 . 1 1 10 10 GLU HA H 1 4.1120 . . 1 . . . C 10 GLU HA . 25797 1 87 . 1 1 10 10 GLU HB3 H 1 2.1370 . . 2 . . . C 10 GLU HB3 . 25797 1 88 . 1 1 10 10 GLU HG2 H 1 2.4710 . . 2 . . . C 10 GLU HG2 . 25797 1 89 . 1 1 10 10 GLU HG3 H 1 2.3390 . . 2 . . . C 10 GLU HG3 . 25797 1 90 . 1 1 10 10 GLU CA C 13 58.3120 . . 1 . . . C 10 GLU CA . 25797 1 91 . 1 1 10 10 GLU CB C 13 29.4820 . . 1 . . . C 10 GLU CB . 25797 1 92 . 1 1 10 10 GLU CG C 13 36.6070 . . 1 . . . C 10 GLU CG . 25797 1 93 . 1 1 10 10 GLU N N 15 118.6990 . . 1 . . . C 10 GLU N . 25797 1 94 . 1 1 11 11 GLN H H 1 7.3850 . . 1 . . . C 11 GLN H . 25797 1 95 . 1 1 11 11 GLN HA H 1 4.2860 . . 1 . . . C 11 GLN HA . 25797 1 96 . 1 1 11 11 GLN HB2 H 1 2.3210 . . 2 . . . C 11 GLN HB2 . 25797 1 97 . 1 1 11 11 GLN HB3 H 1 2.0600 . . 2 . . . C 11 GLN HB3 . 25797 1 98 . 1 1 11 11 GLN HG3 H 1 2.4940 . . 2 . . . C 11 GLN HG3 . 25797 1 99 . 1 1 11 11 GLN HE21 H 1 6.8020 . . 2 . . . C 11 GLN HE21 . 25797 1 100 . 1 1 11 11 GLN HE22 H 1 7.4700 . . 2 . . . C 11 GLN HE22 . 25797 1 101 . 1 1 11 11 GLN CA C 13 55.6430 . . 1 . . . C 11 GLN CA . 25797 1 102 . 1 1 11 11 GLN CB C 13 29.4350 . . 1 . . . C 11 GLN CB . 25797 1 103 . 1 1 11 11 GLN CG C 13 34.1830 . . 1 . . . C 11 GLN CG . 25797 1 104 . 1 1 11 11 GLN N N 15 114.9210 . . 1 . . . C 11 GLN N . 25797 1 105 . 1 1 11 11 GLN NE2 N 15 111.7730 . . 1 . . . C 11 GLN NE2 . 25797 1 106 . 1 1 12 12 LEU H H 1 7.3590 . . 1 . . . C 12 LEU H . 25797 1 107 . 1 1 12 12 LEU HA H 1 4.4890 . . 1 . . . C 12 LEU HA . 25797 1 108 . 1 1 12 12 LEU HB2 H 1 1.9080 . . 2 . . . C 12 LEU HB2 . 25797 1 109 . 1 1 12 12 LEU HB3 H 1 1.3700 . . 2 . . . C 12 LEU HB3 . 25797 1 110 . 1 1 12 12 LEU HG H 1 2.1190 . . 1 . . . C 12 LEU HG . 25797 1 111 . 1 1 12 12 LEU HD11 H 1 0.9020 . . 2 . . . C 12 LEU HD11 . 25797 1 112 . 1 1 12 12 LEU HD12 H 1 0.9020 . . 2 . . . C 12 LEU HD12 . 25797 1 113 . 1 1 12 12 LEU HD13 H 1 0.9020 . . 2 . . . C 12 LEU HD13 . 25797 1 114 . 1 1 12 12 LEU HD21 H 1 0.9680 . . 2 . . . C 12 LEU HD21 . 25797 1 115 . 1 1 12 12 LEU HD22 H 1 0.9680 . . 2 . . . C 12 LEU HD22 . 25797 1 116 . 1 1 12 12 LEU HD23 H 1 0.9680 . . 2 . . . C 12 LEU HD23 . 25797 1 117 . 1 1 12 12 LEU CA C 13 55.0740 . . 1 . . . C 12 LEU CA . 25797 1 118 . 1 1 12 12 LEU CB C 13 43.1960 . . 1 . . . C 12 LEU CB . 25797 1 119 . 1 1 12 12 LEU CG C 13 26.4180 . . 1 . . . C 12 LEU CG . 25797 1 120 . 1 1 12 12 LEU CD1 C 13 23.1810 . . 2 . . . C 12 LEU CD1 . 25797 1 121 . 1 1 12 12 LEU CD2 C 13 27.3030 . . 2 . . . C 12 LEU CD2 . 25797 1 122 . 1 1 12 12 LEU N N 15 120.7090 . . 1 . . . C 12 LEU N . 25797 1 123 . 1 1 13 13 THR H H 1 8.9030 . . 1 . . . C 13 THR H . 25797 1 124 . 1 1 13 13 THR HA H 1 4.4130 . . 1 . . . C 13 THR HA . 25797 1 125 . 1 1 13 13 THR HB H 1 4.7950 . . 1 . . . C 13 THR HB . 25797 1 126 . 1 1 13 13 THR HG21 H 1 1.3890 . . 1 . . . C 13 THR HG21 . 25797 1 127 . 1 1 13 13 THR HG22 H 1 1.3890 . . 1 . . . C 13 THR HG22 . 25797 1 128 . 1 1 13 13 THR HG23 H 1 1.3890 . . 1 . . . C 13 THR HG23 . 25797 1 129 . 1 1 13 13 THR CA C 13 60.7410 . . 1 . . . C 13 THR CA . 25797 1 130 . 1 1 13 13 THR CB C 13 71.0580 . . 1 . . . C 13 THR CB . 25797 1 131 . 1 1 13 13 THR CG2 C 13 22.0000 . . 1 . . . C 13 THR CG2 . 25797 1 132 . 1 1 13 13 THR N N 15 113.8200 . . 1 . . . C 13 THR N . 25797 1 133 . 1 1 14 14 GLU H H 1 8.9760 . . 1 . . . C 14 GLU H . 25797 1 134 . 1 1 14 14 GLU HA H 1 3.9400 . . 1 . . . C 14 GLU HA . 25797 1 135 . 1 1 14 14 GLU HB3 H 1 2.0370 . . 2 . . . C 14 GLU HB3 . 25797 1 136 . 1 1 14 14 GLU HG3 H 1 2.3510 . . 2 . . . C 14 GLU HG3 . 25797 1 137 . 1 1 14 14 GLU CA C 13 59.7450 . . 1 . . . C 14 GLU CA . 25797 1 138 . 1 1 14 14 GLU CB C 13 29.2870 . . 1 . . . C 14 GLU CB . 25797 1 139 . 1 1 14 14 GLU CG C 13 36.1780 . . 1 . . . C 14 GLU CG . 25797 1 140 . 1 1 14 14 GLU N N 15 121.6440 . . 1 . . . C 14 GLU N . 25797 1 141 . 1 1 15 15 GLU H H 1 8.5600 . . 1 . . . C 15 GLU H . 25797 1 142 . 1 1 15 15 GLU HA H 1 4.0210 . . 1 . . . C 15 GLU HA . 25797 1 143 . 1 1 15 15 GLU HB2 H 1 1.9260 . . 2 . . . C 15 GLU HB2 . 25797 1 144 . 1 1 15 15 GLU HB3 H 1 2.0090 . . 2 . . . C 15 GLU HB3 . 25797 1 145 . 1 1 15 15 GLU HG2 H 1 2.3000 . . 2 . . . C 15 GLU HG2 . 25797 1 146 . 1 1 15 15 GLU HG3 H 1 2.3570 . . 2 . . . C 15 GLU HG3 . 25797 1 147 . 1 1 15 15 GLU CA C 13 60.3960 . . 1 . . . C 15 GLU CA . 25797 1 148 . 1 1 15 15 GLU CB C 13 28.9810 . . 1 . . . C 15 GLU CB . 25797 1 149 . 1 1 15 15 GLU CG C 13 37.0220 . . 1 . . . C 15 GLU CG . 25797 1 150 . 1 1 15 15 GLU N N 15 117.5920 . . 1 . . . C 15 GLU N . 25797 1 151 . 1 1 16 16 GLN H H 1 7.7940 . . 1 . . . C 16 GLN H . 25797 1 152 . 1 1 16 16 GLN HA H 1 3.7820 . . 1 . . . C 16 GLN HA . 25797 1 153 . 1 1 16 16 GLN HB3 H 1 1.4770 . . 2 . . . C 16 GLN HB3 . 25797 1 154 . 1 1 16 16 GLN HG2 H 1 2.2040 . . 2 . . . C 16 GLN HG2 . 25797 1 155 . 1 1 16 16 GLN HG3 H 1 2.2970 . . 2 . . . C 16 GLN HG3 . 25797 1 156 . 1 1 16 16 GLN HE21 H 1 6.8100 . . 2 . . . C 16 GLN HE21 . 25797 1 157 . 1 1 16 16 GLN HE22 H 1 7.5270 . . 2 . . . C 16 GLN HE22 . 25797 1 158 . 1 1 16 16 GLN CA C 13 58.7420 . . 1 . . . C 16 GLN CA . 25797 1 159 . 1 1 16 16 GLN CB C 13 29.6950 . . 1 . . . C 16 GLN CB . 25797 1 160 . 1 1 16 16 GLN CG C 13 35.0260 . . 1 . . . C 16 GLN CG . 25797 1 161 . 1 1 16 16 GLN N N 15 119.7380 . . 1 . . . C 16 GLN N . 25797 1 162 . 1 1 16 16 GLN NE2 N 15 111.7340 . . 1 . . . C 16 GLN NE2 . 25797 1 163 . 1 1 17 17 LYS H H 1 8.3770 . . 1 . . . C 17 LYS H . 25797 1 164 . 1 1 17 17 LYS HA H 1 3.8450 . . 1 . . . C 17 LYS HA . 25797 1 165 . 1 1 17 17 LYS HB3 H 1 1.9750 . . 2 . . . C 17 LYS HB3 . 25797 1 166 . 1 1 17 17 LYS HG2 H 1 1.6820 . . 2 . . . C 17 LYS HG2 . 25797 1 167 . 1 1 17 17 LYS HG3 H 1 1.4250 . . 2 . . . C 17 LYS HG3 . 25797 1 168 . 1 1 17 17 LYS HD3 H 1 1.7520 . . 2 . . . C 17 LYS HD3 . 25797 1 169 . 1 1 17 17 LYS HE2 H 1 2.9700 . . 2 . . . C 17 LYS HE2 . 25797 1 170 . 1 1 17 17 LYS HE3 H 1 2.8330 . . 2 . . . C 17 LYS HE3 . 25797 1 171 . 1 1 17 17 LYS CA C 13 61.6620 . . 1 . . . C 17 LYS CA . 25797 1 172 . 1 1 17 17 LYS CB C 13 32.0550 . . 1 . . . C 17 LYS CB . 25797 1 173 . 1 1 17 17 LYS CG C 13 27.2720 . . 1 . . . C 17 LYS CG . 25797 1 174 . 1 1 17 17 LYS CD C 13 29.5530 . . 1 . . . C 17 LYS CD . 25797 1 175 . 1 1 17 17 LYS CE C 13 42.0680 . . 1 . . . C 17 LYS CE . 25797 1 176 . 1 1 17 17 LYS N N 15 117.9980 . . 1 . . . C 17 LYS N . 25797 1 177 . 1 1 18 18 ASN H H 1 8.4870 . . 1 . . . C 18 ASN H . 25797 1 178 . 1 1 18 18 ASN HA H 1 4.5300 . . 1 . . . C 18 ASN HA . 25797 1 179 . 1 1 18 18 ASN HB2 H 1 2.9520 . . 2 . . . C 18 ASN HB2 . 25797 1 180 . 1 1 18 18 ASN HB3 H 1 2.8040 . . 2 . . . C 18 ASN HB3 . 25797 1 181 . 1 1 18 18 ASN HD21 H 1 7.6060 . . 2 . . . C 18 ASN HD21 . 25797 1 182 . 1 1 18 18 ASN HD22 H 1 6.9870 . . 2 . . . C 18 ASN HD22 . 25797 1 183 . 1 1 18 18 ASN CA C 13 55.9760 . . 1 . . . C 18 ASN CA . 25797 1 184 . 1 1 18 18 ASN CB C 13 37.8320 . . 1 . . . C 18 ASN CB . 25797 1 185 . 1 1 18 18 ASN N N 15 117.4230 . . 1 . . . C 18 ASN N . 25797 1 186 . 1 1 18 18 ASN ND2 N 15 111.7800 . . 1 . . . C 18 ASN ND2 . 25797 1 187 . 1 1 19 19 GLU H H 1 8.0050 . . 1 . . . C 19 GLU H . 25797 1 188 . 1 1 19 19 GLU HA H 1 4.1570 . . 1 . . . C 19 GLU HA . 25797 1 189 . 1 1 19 19 GLU HB2 H 1 2.0130 . . 2 . . . C 19 GLU HB2 . 25797 1 190 . 1 1 19 19 GLU HB3 H 1 2.0720 . . 2 . . . C 19 GLU HB3 . 25797 1 191 . 1 1 19 19 GLU HG2 H 1 2.4120 . . 2 . . . C 19 GLU HG2 . 25797 1 192 . 1 1 19 19 GLU HG3 H 1 2.2190 . . 2 . . . C 19 GLU HG3 . 25797 1 193 . 1 1 19 19 GLU CA C 13 59.5240 . . 1 . . . C 19 GLU CA . 25797 1 194 . 1 1 19 19 GLU CB C 13 29.2250 . . 1 . . . C 19 GLU CB . 25797 1 195 . 1 1 19 19 GLU CG C 13 36.2460 . . 1 . . . C 19 GLU CG . 25797 1 196 . 1 1 19 19 GLU N N 15 123.3610 . . 1 . . . C 19 GLU N . 25797 1 197 . 1 1 20 20 PHE H H 1 8.4810 . . 1 . . . C 20 PHE H . 25797 1 198 . 1 1 20 20 PHE HA H 1 5.0240 . . 1 . . . C 20 PHE HA . 25797 1 199 . 1 1 20 20 PHE HB2 H 1 3.5000 . . 2 . . . C 20 PHE HB2 . 25797 1 200 . 1 1 20 20 PHE HB3 H 1 3.5320 . . 2 . . . C 20 PHE HB3 . 25797 1 201 . 1 1 20 20 PHE HD1 H 1 7.1640 . . 3 . . . C 20 PHE HD1 . 25797 1 202 . 1 1 20 20 PHE HE1 H 1 7.2170 . . 3 . . . C 20 PHE HE1 . 25797 1 203 . 1 1 20 20 PHE HZ H 1 7.3080 . . 1 . . . C 20 PHE HZ . 25797 1 204 . 1 1 20 20 PHE CA C 13 58.3730 . . 1 . . . C 20 PHE CA . 25797 1 205 . 1 1 20 20 PHE CB C 13 37.3580 . . 1 . . . C 20 PHE CB . 25797 1 206 . 1 1 20 20 PHE CD1 C 13 130.2300 . . 3 . . . C 20 PHE CD1 . 25797 1 207 . 1 1 20 20 PHE N N 15 119.3430 . . 1 . . . C 20 PHE N . 25797 1 208 . 1 1 21 21 LYS H H 1 8.9240 . . 1 . . . C 21 LYS H . 25797 1 209 . 1 1 21 21 LYS HA H 1 3.9490 . . 1 . . . C 21 LYS HA . 25797 1 210 . 1 1 21 21 LYS HB2 H 1 1.9900 . . 2 . . . C 21 LYS HB2 . 25797 1 211 . 1 1 21 21 LYS HB3 H 1 1.7800 . . 2 . . . C 21 LYS HB3 . 25797 1 212 . 1 1 21 21 LYS HG2 H 1 1.2430 . . 2 . . . C 21 LYS HG2 . 25797 1 213 . 1 1 21 21 LYS HG3 H 1 1.0300 . . 2 . . . C 21 LYS HG3 . 25797 1 214 . 1 1 21 21 LYS HD2 H 1 1.3790 . . 2 . . . C 21 LYS HD2 . 25797 1 215 . 1 1 21 21 LYS HD3 H 1 0.7070 . . 2 . . . C 21 LYS HD3 . 25797 1 216 . 1 1 21 21 LYS HE3 H 1 2.7020 . . 2 . . . C 21 LYS HE3 . 25797 1 217 . 1 1 21 21 LYS CA C 13 59.0520 . . 1 . . . C 21 LYS CA . 25797 1 218 . 1 1 21 21 LYS CB C 13 32.1920 . . 1 . . . C 21 LYS CB . 25797 1 219 . 1 1 21 21 LYS CG C 13 24.5560 . . 1 . . . C 21 LYS CG . 25797 1 220 . 1 1 21 21 LYS CD C 13 27.7370 . . 1 . . . C 21 LYS CD . 25797 1 221 . 1 1 21 21 LYS CE C 13 42.2310 . . 1 . . . C 21 LYS CE . 25797 1 222 . 1 1 21 21 LYS N N 15 121.7640 . . 1 . . . C 21 LYS N . 25797 1 223 . 1 1 22 22 ALA H H 1 7.9040 . . 1 . . . C 22 ALA H . 25797 1 224 . 1 1 22 22 ALA HA H 1 4.1780 . . 1 . . . C 22 ALA HA . 25797 1 225 . 1 1 22 22 ALA HB1 H 1 1.5340 . . 1 . . . C 22 ALA HB1 . 25797 1 226 . 1 1 22 22 ALA HB2 H 1 1.5340 . . 1 . . . C 22 ALA HB2 . 25797 1 227 . 1 1 22 22 ALA HB3 H 1 1.5340 . . 1 . . . C 22 ALA HB3 . 25797 1 228 . 1 1 22 22 ALA CA C 13 54.8680 . . 1 . . . C 22 ALA CA . 25797 1 229 . 1 1 22 22 ALA CB C 13 17.7980 . . 1 . . . C 22 ALA CB . 25797 1 230 . 1 1 22 22 ALA N N 15 120.1060 . . 1 . . . C 22 ALA N . 25797 1 231 . 1 1 23 23 ALA H H 1 7.4780 . . 1 . . . C 23 ALA H . 25797 1 232 . 1 1 23 23 ALA HA H 1 4.2520 . . 1 . . . C 23 ALA HA . 25797 1 233 . 1 1 23 23 ALA HB1 H 1 1.7820 . . 1 . . . C 23 ALA HB1 . 25797 1 234 . 1 1 23 23 ALA HB2 H 1 1.7820 . . 1 . . . C 23 ALA HB2 . 25797 1 235 . 1 1 23 23 ALA HB3 H 1 1.7820 . . 1 . . . C 23 ALA HB3 . 25797 1 236 . 1 1 23 23 ALA CA C 13 54.7090 . . 1 . . . C 23 ALA CA . 25797 1 237 . 1 1 23 23 ALA CB C 13 18.6920 . . 1 . . . C 23 ALA CB . 25797 1 238 . 1 1 23 23 ALA N N 15 119.0010 . . 1 . . . C 23 ALA N . 25797 1 239 . 1 1 24 24 PHE H H 1 8.3850 . . 1 . . . C 24 PHE H . 25797 1 240 . 1 1 24 24 PHE HA H 1 3.6050 . . 1 . . . C 24 PHE HA . 25797 1 241 . 1 1 24 24 PHE HB2 H 1 3.1790 . . 2 . . . C 24 PHE HB2 . 25797 1 242 . 1 1 24 24 PHE HB3 H 1 2.7940 . . 2 . . . C 24 PHE HB3 . 25797 1 243 . 1 1 24 24 PHE HD2 H 1 6.5780 . . 3 . . . C 24 PHE HD2 . 25797 1 244 . 1 1 24 24 PHE HE2 H 1 7.1650 . . 3 . . . C 24 PHE HE2 . 25797 1 245 . 1 1 24 24 PHE HZ H 1 7.5310 . . 1 . . . C 24 PHE HZ . 25797 1 246 . 1 1 24 24 PHE CA C 13 62.2460 . . 1 . . . C 24 PHE CA . 25797 1 247 . 1 1 24 24 PHE CB C 13 40.4140 . . 1 . . . C 24 PHE CB . 25797 1 248 . 1 1 24 24 PHE CD2 C 13 131.8520 . . 3 . . . C 24 PHE CD2 . 25797 1 249 . 1 1 24 24 PHE CE2 C 13 131.6300 . . 3 . . . C 24 PHE CE2 . 25797 1 250 . 1 1 24 24 PHE N N 15 119.2270 . . 1 . . . C 24 PHE N . 25797 1 251 . 1 1 25 25 ASP H H 1 8.7450 . . 1 . . . C 25 ASP H . 25797 1 252 . 1 1 25 25 ASP HA H 1 4.3530 . . 1 . . . C 25 ASP HA . 25797 1 253 . 1 1 25 25 ASP HB2 H 1 2.7260 . . 2 . . . C 25 ASP HB2 . 25797 1 254 . 1 1 25 25 ASP HB3 H 1 2.5070 . . 2 . . . C 25 ASP HB3 . 25797 1 255 . 1 1 25 25 ASP CA C 13 56.8040 . . 1 . . . C 25 ASP CA . 25797 1 256 . 1 1 25 25 ASP CB C 13 40.2930 . . 1 . . . C 25 ASP CB . 25797 1 257 . 1 1 25 25 ASP N N 15 116.0040 . . 1 . . . C 25 ASP N . 25797 1 258 . 1 1 26 26 ILE H H 1 7.2840 . . 1 . . . C 26 ILE H . 25797 1 259 . 1 1 26 26 ILE HA H 1 3.6390 . . 1 . . . C 26 ILE HA . 25797 1 260 . 1 1 26 26 ILE HB H 1 1.7980 . . 1 . . . C 26 ILE HB . 25797 1 261 . 1 1 26 26 ILE HG12 H 1 1.6240 . . 2 . . . C 26 ILE HG12 . 25797 1 262 . 1 1 26 26 ILE HG13 H 1 1.1460 . . 2 . . . C 26 ILE HG13 . 25797 1 263 . 1 1 26 26 ILE HG21 H 1 0.4010 . . 1 . . . C 26 ILE HG21 . 25797 1 264 . 1 1 26 26 ILE HG22 H 1 0.4010 . . 1 . . . C 26 ILE HG22 . 25797 1 265 . 1 1 26 26 ILE HG23 H 1 0.4010 . . 1 . . . C 26 ILE HG23 . 25797 1 266 . 1 1 26 26 ILE HD11 H 1 0.8160 . . 1 . . . C 26 ILE HD11 . 25797 1 267 . 1 1 26 26 ILE HD12 H 1 0.8160 . . 1 . . . C 26 ILE HD12 . 25797 1 268 . 1 1 26 26 ILE HD13 H 1 0.8160 . . 1 . . . C 26 ILE HD13 . 25797 1 269 . 1 1 26 26 ILE CA C 13 64.1210 . . 1 . . . C 26 ILE CA . 25797 1 270 . 1 1 26 26 ILE CB C 13 37.5090 . . 1 . . . C 26 ILE CB . 25797 1 271 . 1 1 26 26 ILE CG1 C 13 28.6070 . . 1 . . . C 26 ILE CG1 . 25797 1 272 . 1 1 26 26 ILE CG2 C 13 16.7700 . . 1 . . . C 26 ILE CG2 . 25797 1 273 . 1 1 26 26 ILE CD1 C 13 12.9210 . . 1 . . . C 26 ILE CD1 . 25797 1 274 . 1 1 26 26 ILE N N 15 119.3240 . . 1 . . . C 26 ILE N . 25797 1 275 . 1 1 27 27 PHE H H 1 7.5160 . . 1 . . . C 27 PHE H . 25797 1 276 . 1 1 27 27 PHE HA H 1 4.3470 . . 1 . . . C 27 PHE HA . 25797 1 277 . 1 1 27 27 PHE HB2 H 1 3.0730 . . 2 . . . C 27 PHE HB2 . 25797 1 278 . 1 1 27 27 PHE HB3 H 1 2.6180 . . 2 . . . C 27 PHE HB3 . 25797 1 279 . 1 1 27 27 PHE HD1 H 1 7.2570 . . 3 . . . C 27 PHE HD1 . 25797 1 280 . 1 1 27 27 PHE HE1 H 1 7.3130 . . 3 . . . C 27 PHE HE1 . 25797 1 281 . 1 1 27 27 PHE HZ H 1 7.2270 . . 1 . . . C 27 PHE HZ . 25797 1 282 . 1 1 27 27 PHE CA C 13 59.7350 . . 1 . . . C 27 PHE CA . 25797 1 283 . 1 1 27 27 PHE CB C 13 39.5630 . . 1 . . . C 27 PHE CB . 25797 1 284 . 1 1 27 27 PHE CD1 C 13 132.0350 . . 3 . . . C 27 PHE CD1 . 25797 1 285 . 1 1 27 27 PHE CE1 C 13 131.5690 . . 3 . . . C 27 PHE CE1 . 25797 1 286 . 1 1 27 27 PHE CZ C 13 131.9200 . . 1 . . . C 27 PHE CZ . 25797 1 287 . 1 1 27 27 PHE N N 15 117.9670 . . 1 . . . C 27 PHE N . 25797 1 288 . 1 1 28 28 VAL H H 1 7.5990 . . 1 . . . C 28 VAL H . 25797 1 289 . 1 1 28 28 VAL HA H 1 3.9070 . . 1 . . . C 28 VAL HA . 25797 1 290 . 1 1 28 28 VAL HB H 1 1.9230 . . 1 . . . C 28 VAL HB . 25797 1 291 . 1 1 28 28 VAL HG11 H 1 0.5610 . . 2 . . . C 28 VAL HG11 . 25797 1 292 . 1 1 28 28 VAL HG12 H 1 0.5610 . . 2 . . . C 28 VAL HG12 . 25797 1 293 . 1 1 28 28 VAL HG13 H 1 0.5610 . . 2 . . . C 28 VAL HG13 . 25797 1 294 . 1 1 28 28 VAL HG21 H 1 0.6560 . . 2 . . . C 28 VAL HG21 . 25797 1 295 . 1 1 28 28 VAL HG22 H 1 0.6560 . . 2 . . . C 28 VAL HG22 . 25797 1 296 . 1 1 28 28 VAL HG23 H 1 0.6560 . . 2 . . . C 28 VAL HG23 . 25797 1 297 . 1 1 28 28 VAL CA C 13 62.8870 . . 1 . . . C 28 VAL CA . 25797 1 298 . 1 1 28 28 VAL CB C 13 31.9320 . . 1 . . . C 28 VAL CB . 25797 1 299 . 1 1 28 28 VAL CG1 C 13 21.5270 . . 2 . . . C 28 VAL CG1 . 25797 1 300 . 1 1 28 28 VAL CG2 C 13 21.4350 . . 2 . . . C 28 VAL CG2 . 25797 1 301 . 1 1 28 28 VAL N N 15 116.2160 . . 1 . . . C 28 VAL N . 25797 1 302 . 1 1 29 29 GLN H H 1 7.7720 . . 1 . . . C 29 GLN H . 25797 1 303 . 1 1 29 29 GLN HA H 1 4.0370 . . 1 . . . C 29 GLN HA . 25797 1 304 . 1 1 29 29 GLN HB2 H 1 2.0520 . . 2 . . . C 29 GLN HB2 . 25797 1 305 . 1 1 29 29 GLN HB3 H 1 2.1340 . . 2 . . . C 29 GLN HB3 . 25797 1 306 . 1 1 29 29 GLN HG2 H 1 2.3370 . . 2 . . . C 29 GLN HG2 . 25797 1 307 . 1 1 29 29 GLN HG3 H 1 2.3720 . . 2 . . . C 29 GLN HG3 . 25797 1 308 . 1 1 29 29 GLN CA C 13 57.0260 . . 1 . . . C 29 GLN CA . 25797 1 309 . 1 1 29 29 GLN CB C 13 27.9860 . . 1 . . . C 29 GLN CB . 25797 1 310 . 1 1 29 29 GLN CG C 13 34.0570 . . 1 . . . C 29 GLN CG . 25797 1 311 . 1 1 29 29 GLN N N 15 120.5530 . . 1 . . . C 29 GLN N . 25797 1 312 . 1 1 30 30 GLY H H 1 8.4350 . . 1 . . . C 30 GLY H . 25797 1 313 . 1 1 30 30 GLY HA2 H 1 3.9680 . . 2 . . . C 30 GLY HA2 . 25797 1 314 . 1 1 30 30 GLY HA3 H 1 3.8080 . . 2 . . . C 30 GLY HA3 . 25797 1 315 . 1 1 30 30 GLY CA C 13 45.4880 . . 1 . . . C 30 GLY CA . 25797 1 316 . 1 1 30 30 GLY N N 15 108.1120 . . 1 . . . C 30 GLY N . 25797 1 317 . 1 1 31 31 ALA H H 1 7.6990 . . 1 . . . C 31 ALA H . 25797 1 318 . 1 1 31 31 ALA HA H 1 4.3520 . . 1 . . . C 31 ALA HA . 25797 1 319 . 1 1 31 31 ALA HB1 H 1 1.4880 . . 1 . . . C 31 ALA HB1 . 25797 1 320 . 1 1 31 31 ALA HB2 H 1 1.4880 . . 1 . . . C 31 ALA HB2 . 25797 1 321 . 1 1 31 31 ALA HB3 H 1 1.4880 . . 1 . . . C 31 ALA HB3 . 25797 1 322 . 1 1 31 31 ALA CA C 13 52.4970 . . 1 . . . C 31 ALA CA . 25797 1 323 . 1 1 31 31 ALA CB C 13 19.4600 . . 1 . . . C 31 ALA CB . 25797 1 324 . 1 1 31 31 ALA N N 15 123.7900 . . 1 . . . C 31 ALA N . 25797 1 325 . 1 1 32 32 GLU H H 1 8.7960 . . 1 . . . C 32 GLU H . 25797 1 326 . 1 1 32 32 GLU HA H 1 4.1220 . . 1 . . . C 32 GLU HA . 25797 1 327 . 1 1 32 32 GLU HB3 H 1 2.0670 . . 2 . . . C 32 GLU HB3 . 25797 1 328 . 1 1 32 32 GLU HG3 H 1 2.3110 . . 2 . . . C 32 GLU HG3 . 25797 1 329 . 1 1 32 32 GLU CA C 13 58.4340 . . 1 . . . C 32 GLU CA . 25797 1 330 . 1 1 32 32 GLU CB C 13 29.7720 . . 1 . . . C 32 GLU CB . 25797 1 331 . 1 1 32 32 GLU CG C 13 36.2690 . . 1 . . . C 32 GLU CG . 25797 1 332 . 1 1 32 32 GLU N N 15 123.4850 . . 1 . . . C 32 GLU N . 25797 1 333 . 1 1 33 33 ASP H H 1 8.2600 . . 1 . . . C 33 ASP H . 25797 1 334 . 1 1 33 33 ASP HA H 1 4.6620 . . 1 . . . C 33 ASP HA . 25797 1 335 . 1 1 33 33 ASP HB2 H 1 2.8710 . . 2 . . . C 33 ASP HB2 . 25797 1 336 . 1 1 33 33 ASP HB3 H 1 2.6880 . . 2 . . . C 33 ASP HB3 . 25797 1 337 . 1 1 33 33 ASP CA C 13 53.5240 . . 1 . . . C 33 ASP CA . 25797 1 338 . 1 1 33 33 ASP CB C 13 40.7110 . . 1 . . . C 33 ASP CB . 25797 1 339 . 1 1 33 33 ASP N N 15 117.3920 . . 1 . . . C 33 ASP N . 25797 1 340 . 1 1 34 34 GLY H H 1 7.9620 . . 1 . . . C 34 GLY H . 25797 1 341 . 1 1 34 34 GLY HA3 H 1 3.9480 . . 2 . . . C 34 GLY HA3 . 25797 1 342 . 1 1 34 34 GLY CA C 13 46.3810 . . 1 . . . C 34 GLY CA . 25797 1 343 . 1 1 34 34 GLY N N 15 106.7380 . . 1 . . . C 34 GLY N . 25797 1 344 . 1 1 35 35 SER H H 1 7.7720 . . 1 . . . C 35 SER H . 25797 1 345 . 1 1 35 35 SER HA H 1 5.0440 . . 1 . . . C 35 SER HA . 25797 1 346 . 1 1 35 35 SER HB2 H 1 3.7120 . . 2 . . . C 35 SER HB2 . 25797 1 347 . 1 1 35 35 SER HB3 H 1 3.5380 . . 2 . . . C 35 SER HB3 . 25797 1 348 . 1 1 35 35 SER CA C 13 57.4170 . . 1 . . . C 35 SER CA . 25797 1 349 . 1 1 35 35 SER CB C 13 65.9360 . . 1 . . . C 35 SER CB . 25797 1 350 . 1 1 35 35 SER N N 15 113.0960 . . 1 . . . C 35 SER N . 25797 1 351 . 1 1 36 36 ILE H H 1 8.5150 . . 1 . . . C 36 ILE H . 25797 1 352 . 1 1 36 36 ILE HA H 1 4.3930 . . 1 . . . C 36 ILE HA . 25797 1 353 . 1 1 36 36 ILE HB H 1 1.6640 . . 1 . . . C 36 ILE HB . 25797 1 354 . 1 1 36 36 ILE HG12 H 1 1.2840 . . 2 . . . C 36 ILE HG12 . 25797 1 355 . 1 1 36 36 ILE HG13 H 1 0.7620 . . 2 . . . C 36 ILE HG13 . 25797 1 356 . 1 1 36 36 ILE HG21 H 1 0.5530 . . 1 . . . C 36 ILE HG21 . 25797 1 357 . 1 1 36 36 ILE HG22 H 1 0.5530 . . 1 . . . C 36 ILE HG22 . 25797 1 358 . 1 1 36 36 ILE HG23 H 1 0.5530 . . 1 . . . C 36 ILE HG23 . 25797 1 359 . 1 1 36 36 ILE HD11 H 1 0.4680 . . 1 . . . C 36 ILE HD11 . 25797 1 360 . 1 1 36 36 ILE HD12 H 1 0.4680 . . 1 . . . C 36 ILE HD12 . 25797 1 361 . 1 1 36 36 ILE HD13 H 1 0.4680 . . 1 . . . C 36 ILE HD13 . 25797 1 362 . 1 1 36 36 ILE CA C 13 59.9460 . . 1 . . . C 36 ILE CA . 25797 1 363 . 1 1 36 36 ILE CB C 13 40.8130 . . 1 . . . C 36 ILE CB . 25797 1 364 . 1 1 36 36 ILE CG1 C 13 26.5690 . . 1 . . . C 36 ILE CG1 . 25797 1 365 . 1 1 36 36 ILE CG2 C 13 17.1880 . . 1 . . . C 36 ILE CG2 . 25797 1 366 . 1 1 36 36 ILE CD1 C 13 14.5800 . . 1 . . . C 36 ILE CD1 . 25797 1 367 . 1 1 36 36 ILE N N 15 117.3220 . . 1 . . . C 36 ILE N . 25797 1 368 . 1 1 37 37 SER H H 1 8.8900 . . 1 . . . C 37 SER H . 25797 1 369 . 1 1 37 37 SER HA H 1 4.7080 . . 1 . . . C 37 SER HA . 25797 1 370 . 1 1 37 37 SER HB2 H 1 4.2370 . . 2 . . . C 37 SER HB2 . 25797 1 371 . 1 1 37 37 SER HB3 H 1 3.8650 . . 2 . . . C 37 SER HB3 . 25797 1 372 . 1 1 37 37 SER CA C 13 57.7430 . . 1 . . . C 37 SER CA . 25797 1 373 . 1 1 37 37 SER CB C 13 64.4350 . . 1 . . . C 37 SER CB . 25797 1 374 . 1 1 37 37 SER N N 15 120.4070 . . 1 . . . C 37 SER N . 25797 1 375 . 1 1 38 38 THR H H 1 8.5330 . . 1 . . . C 38 THR H . 25797 1 376 . 1 1 38 38 THR HA H 1 3.7570 . . 1 . . . C 38 THR HA . 25797 1 377 . 1 1 38 38 THR HB H 1 4.2440 . . 1 . . . C 38 THR HB . 25797 1 378 . 1 1 38 38 THR HG21 H 1 1.1220 . . 1 . . . C 38 THR HG21 . 25797 1 379 . 1 1 38 38 THR HG22 H 1 1.1220 . . 1 . . . C 38 THR HG22 . 25797 1 380 . 1 1 38 38 THR HG23 H 1 1.1220 . . 1 . . . C 38 THR HG23 . 25797 1 381 . 1 1 38 38 THR CA C 13 65.8140 . . 1 . . . C 38 THR CA . 25797 1 382 . 1 1 38 38 THR CB C 13 67.7240 . . 1 . . . C 38 THR CB . 25797 1 383 . 1 1 38 38 THR CG2 C 13 22.8330 . . 1 . . . C 38 THR CG2 . 25797 1 384 . 1 1 38 38 THR N N 15 116.7030 . . 1 . . . C 38 THR N . 25797 1 385 . 1 1 39 39 LYS H H 1 8.0590 . . 1 . . . C 39 LYS H . 25797 1 386 . 1 1 39 39 LYS HA H 1 4.1140 . . 1 . . . C 39 LYS HA . 25797 1 387 . 1 1 39 39 LYS HB3 H 1 1.8390 . . 2 . . . C 39 LYS HB3 . 25797 1 388 . 1 1 39 39 LYS HG2 H 1 1.5070 . . 2 . . . C 39 LYS HG2 . 25797 1 389 . 1 1 39 39 LYS HG3 H 1 1.4440 . . 2 . . . C 39 LYS HG3 . 25797 1 390 . 1 1 39 39 LYS HD3 H 1 1.6970 . . 2 . . . C 39 LYS HD3 . 25797 1 391 . 1 1 39 39 LYS HE3 H 1 3.0030 . . 2 . . . C 39 LYS HE3 . 25797 1 392 . 1 1 39 39 LYS CA C 13 58.7370 . . 1 . . . C 39 LYS CA . 25797 1 393 . 1 1 39 39 LYS CB C 13 32.2870 . . 1 . . . C 39 LYS CB . 25797 1 394 . 1 1 39 39 LYS CG C 13 25.0800 . . 1 . . . C 39 LYS CG . 25797 1 395 . 1 1 39 39 LYS CD C 13 29.1880 . . 1 . . . C 39 LYS CD . 25797 1 396 . 1 1 39 39 LYS CE C 13 42.1340 . . 1 . . . C 39 LYS CE . 25797 1 397 . 1 1 39 39 LYS N N 15 120.3790 . . 1 . . . C 39 LYS N . 25797 1 398 . 1 1 40 40 GLU H H 1 7.6350 . . 1 . . . C 40 GLU H . 25797 1 399 . 1 1 40 40 GLU HA H 1 4.3380 . . 1 . . . C 40 GLU HA . 25797 1 400 . 1 1 40 40 GLU HB2 H 1 2.0460 . . 2 . . . C 40 GLU HB2 . 25797 1 401 . 1 1 40 40 GLU HB3 H 1 1.9470 . . 2 . . . C 40 GLU HB3 . 25797 1 402 . 1 1 40 40 GLU HG2 H 1 2.2470 . . 2 . . . C 40 GLU HG2 . 25797 1 403 . 1 1 40 40 GLU HG3 H 1 2.2980 . . 2 . . . C 40 GLU HG3 . 25797 1 404 . 1 1 40 40 GLU CA C 13 56.9290 . . 1 . . . C 40 GLU CA . 25797 1 405 . 1 1 40 40 GLU CB C 13 29.9810 . . 1 . . . C 40 GLU CB . 25797 1 406 . 1 1 40 40 GLU CG C 13 36.6370 . . 1 . . . C 40 GLU CG . 25797 1 407 . 1 1 40 40 GLU N N 15 117.3470 . . 1 . . . C 40 GLU N . 25797 1 408 . 1 1 41 41 LEU H H 1 7.6820 . . 1 . . . C 41 LEU H . 25797 1 409 . 1 1 41 41 LEU HA H 1 3.8410 . . 1 . . . C 41 LEU HA . 25797 1 410 . 1 1 41 41 LEU HB2 H 1 1.5660 . . 2 . . . C 41 LEU HB2 . 25797 1 411 . 1 1 41 41 LEU HB3 H 1 1.6040 . . 2 . . . C 41 LEU HB3 . 25797 1 412 . 1 1 41 41 LEU HG H 1 1.6690 . . 1 . . . C 41 LEU HG . 25797 1 413 . 1 1 41 41 LEU HD11 H 1 0.8320 . . 2 . . . C 41 LEU HD11 . 25797 1 414 . 1 1 41 41 LEU HD12 H 1 0.8320 . . 2 . . . C 41 LEU HD12 . 25797 1 415 . 1 1 41 41 LEU HD13 H 1 0.8320 . . 2 . . . C 41 LEU HD13 . 25797 1 416 . 1 1 41 41 LEU HD21 H 1 0.9120 . . 2 . . . C 41 LEU HD21 . 25797 1 417 . 1 1 41 41 LEU HD22 H 1 0.9120 . . 2 . . . C 41 LEU HD22 . 25797 1 418 . 1 1 41 41 LEU HD23 H 1 0.9120 . . 2 . . . C 41 LEU HD23 . 25797 1 419 . 1 1 41 41 LEU CA C 13 57.7220 . . 1 . . . C 41 LEU CA . 25797 1 420 . 1 1 41 41 LEU CB C 13 42.2410 . . 1 . . . C 41 LEU CB . 25797 1 421 . 1 1 41 41 LEU CG C 13 27.1280 . . 1 . . . C 41 LEU CG . 25797 1 422 . 1 1 41 41 LEU CD1 C 13 25.2830 . . 2 . . . C 41 LEU CD1 . 25797 1 423 . 1 1 41 41 LEU CD2 C 13 24.4520 . . 2 . . . C 41 LEU CD2 . 25797 1 424 . 1 1 41 41 LEU N N 15 119.3420 . . 1 . . . C 41 LEU N . 25797 1 425 . 1 1 42 42 GLY H H 1 8.6160 . . 1 . . . C 42 GLY H . 25797 1 426 . 1 1 42 42 GLY HA2 H 1 3.8680 . . 2 . . . C 42 GLY HA2 . 25797 1 427 . 1 1 42 42 GLY HA3 H 1 3.5290 . . 2 . . . C 42 GLY HA3 . 25797 1 428 . 1 1 42 42 GLY CA C 13 47.8030 . . 1 . . . C 42 GLY CA . 25797 1 429 . 1 1 42 42 GLY N N 15 106.6530 . . 1 . . . C 42 GLY N . 25797 1 430 . 1 1 43 43 LYS H H 1 7.3150 . . 1 . . . C 43 LYS H . 25797 1 431 . 1 1 43 43 LYS HA H 1 3.9730 . . 1 . . . C 43 LYS HA . 25797 1 432 . 1 1 43 43 LYS HB3 H 1 1.8370 . . 2 . . . C 43 LYS HB3 . 25797 1 433 . 1 1 43 43 LYS HG2 H 1 1.4010 . . 2 . . . C 43 LYS HG2 . 25797 1 434 . 1 1 43 43 LYS HG3 H 1 1.5490 . . 2 . . . C 43 LYS HG3 . 25797 1 435 . 1 1 43 43 LYS HD3 H 1 1.7920 . . 2 . . . C 43 LYS HD3 . 25797 1 436 . 1 1 43 43 LYS HE3 H 1 2.9990 . . 2 . . . C 43 LYS HE3 . 25797 1 437 . 1 1 43 43 LYS CA C 13 59.5290 . . 1 . . . C 43 LYS CA . 25797 1 438 . 1 1 43 43 LYS CB C 13 32.4990 . . 1 . . . C 43 LYS CB . 25797 1 439 . 1 1 43 43 LYS CG C 13 25.3860 . . 1 . . . C 43 LYS CG . 25797 1 440 . 1 1 43 43 LYS CD C 13 29.7400 . . 1 . . . C 43 LYS CD . 25797 1 441 . 1 1 43 43 LYS CE C 13 42.1230 . . 1 . . . C 43 LYS CE . 25797 1 442 . 1 1 43 43 LYS N N 15 121.0410 . . 1 . . . C 43 LYS N . 25797 1 443 . 1 1 44 44 VAL H H 1 7.4760 . . 1 . . . C 44 VAL H . 25797 1 444 . 1 1 44 44 VAL HA H 1 3.4770 . . 1 . . . C 44 VAL HA . 25797 1 445 . 1 1 44 44 VAL HB H 1 1.9500 . . 1 . . . C 44 VAL HB . 25797 1 446 . 1 1 44 44 VAL HG11 H 1 0.7280 . . 2 . . . C 44 VAL HG11 . 25797 1 447 . 1 1 44 44 VAL HG12 H 1 0.7280 . . 2 . . . C 44 VAL HG12 . 25797 1 448 . 1 1 44 44 VAL HG13 H 1 0.7280 . . 2 . . . C 44 VAL HG13 . 25797 1 449 . 1 1 44 44 VAL HG21 H 1 0.6450 . . 2 . . . C 44 VAL HG21 . 25797 1 450 . 1 1 44 44 VAL HG22 H 1 0.6450 . . 2 . . . C 44 VAL HG22 . 25797 1 451 . 1 1 44 44 VAL HG23 H 1 0.6450 . . 2 . . . C 44 VAL HG23 . 25797 1 452 . 1 1 44 44 VAL CA C 13 65.8490 . . 1 . . . C 44 VAL CA . 25797 1 453 . 1 1 44 44 VAL CB C 13 31.4910 . . 1 . . . C 44 VAL CB . 25797 1 454 . 1 1 44 44 VAL CG1 C 13 21.6550 . . 2 . . . C 44 VAL CG1 . 25797 1 455 . 1 1 44 44 VAL CG2 C 13 22.4520 . . 2 . . . C 44 VAL CG2 . 25797 1 456 . 1 1 44 44 VAL N N 15 120.1630 . . 1 . . . C 44 VAL N . 25797 1 457 . 1 1 45 45 MET H H 1 8.2250 . . 1 . . . C 45 MET H . 25797 1 458 . 1 1 45 45 MET HA H 1 4.0970 . . 1 . . . C 45 MET HA . 25797 1 459 . 1 1 45 45 MET HB3 H 1 2.0720 . . 2 . . . C 45 MET HB3 . 25797 1 460 . 1 1 45 45 MET HG3 H 1 2.5330 . . 2 . . . C 45 MET HG3 . 25797 1 461 . 1 1 45 45 MET HE1 H 1 1.8070 . . 1 . . . C 45 MET HE1 . 25797 1 462 . 1 1 45 45 MET HE2 H 1 1.8070 . . 1 . . . C 45 MET HE2 . 25797 1 463 . 1 1 45 45 MET HE3 H 1 1.8070 . . 1 . . . C 45 MET HE3 . 25797 1 464 . 1 1 45 45 MET CA C 13 58.6760 . . 1 . . . C 45 MET CA . 25797 1 465 . 1 1 45 45 MET CB C 13 31.2160 . . 1 . . . C 45 MET CB . 25797 1 466 . 1 1 45 45 MET CG C 13 33.3540 . . 1 . . . C 45 MET CG . 25797 1 467 . 1 1 45 45 MET CE C 13 18.0140 . . 1 . . . C 45 MET CE . 25797 1 468 . 1 1 45 45 MET N N 15 116.1620 . . 1 . . . C 45 MET N . 25797 1 469 . 1 1 46 46 ARG H H 1 7.9170 . . 1 . . . C 46 ARG H . 25797 1 470 . 1 1 46 46 ARG HA H 1 4.5800 . . 1 . . . C 46 ARG HA . 25797 1 471 . 1 1 46 46 ARG HB3 H 1 1.9250 . . 2 . . . C 46 ARG HB3 . 25797 1 472 . 1 1 46 46 ARG HG2 H 1 1.9070 . . 2 . . . C 46 ARG HG2 . 25797 1 473 . 1 1 46 46 ARG HG3 H 1 1.7760 . . 2 . . . C 46 ARG HG3 . 25797 1 474 . 1 1 46 46 ARG HD2 H 1 3.1960 . . 2 . . . C 46 ARG HD2 . 25797 1 475 . 1 1 46 46 ARG HD3 H 1 3.2550 . . 2 . . . C 46 ARG HD3 . 25797 1 476 . 1 1 46 46 ARG CA C 13 59.2580 . . 1 . . . C 46 ARG CA . 25797 1 477 . 1 1 46 46 ARG CB C 13 30.0270 . . 1 . . . C 46 ARG CB . 25797 1 478 . 1 1 46 46 ARG CG C 13 28.3830 . . 1 . . . C 46 ARG CG . 25797 1 479 . 1 1 46 46 ARG CD C 13 43.4790 . . 1 . . . C 46 ARG CD . 25797 1 480 . 1 1 46 46 ARG N N 15 119.1170 . . 1 . . . C 46 ARG N . 25797 1 481 . 1 1 47 47 MET H H 1 7.9890 . . 1 . . . C 47 MET H . 25797 1 482 . 1 1 47 47 MET HA H 1 4.2820 . . 1 . . . C 47 MET HA . 25797 1 483 . 1 1 47 47 MET HB2 H 1 2.4760 . . 2 . . . C 47 MET HB2 . 25797 1 484 . 1 1 47 47 MET HB3 H 1 2.4730 . . 2 . . . C 47 MET HB3 . 25797 1 485 . 1 1 47 47 MET HG2 H 1 2.8950 . . 2 . . . C 47 MET HG2 . 25797 1 486 . 1 1 47 47 MET HG3 H 1 2.7590 . . 2 . . . C 47 MET HG3 . 25797 1 487 . 1 1 47 47 MET HE1 H 1 2.2340 . . 1 . . . C 47 MET HE1 . 25797 1 488 . 1 1 47 47 MET HE2 H 1 2.2340 . . 1 . . . C 47 MET HE2 . 25797 1 489 . 1 1 47 47 MET HE3 H 1 2.2340 . . 1 . . . C 47 MET HE3 . 25797 1 490 . 1 1 47 47 MET CA C 13 59.0010 . . 1 . . . C 47 MET CA . 25797 1 491 . 1 1 47 47 MET CB C 13 32.5310 . . 1 . . . C 47 MET CB . 25797 1 492 . 1 1 47 47 MET CG C 13 32.5360 . . 1 . . . C 47 MET CG . 25797 1 493 . 1 1 47 47 MET CE C 13 17.2930 . . 1 . . . C 47 MET CE . 25797 1 494 . 1 1 47 47 MET N N 15 121.8360 . . 1 . . . C 47 MET N . 25797 1 495 . 1 1 48 48 LEU H H 1 7.5380 . . 1 . . . C 48 LEU H . 25797 1 496 . 1 1 48 48 LEU HA H 1 4.5520 . . 1 . . . C 48 LEU HA . 25797 1 497 . 1 1 48 48 LEU HB3 H 1 1.9080 . . 2 . . . C 48 LEU HB3 . 25797 1 498 . 1 1 48 48 LEU HG H 1 1.9720 . . 1 . . . C 48 LEU HG . 25797 1 499 . 1 1 48 48 LEU HD11 H 1 1.0480 . . 2 . . . C 48 LEU HD11 . 25797 1 500 . 1 1 48 48 LEU HD12 H 1 1.0480 . . 2 . . . C 48 LEU HD12 . 25797 1 501 . 1 1 48 48 LEU HD13 H 1 1.0480 . . 2 . . . C 48 LEU HD13 . 25797 1 502 . 1 1 48 48 LEU HD21 H 1 1.1120 . . 2 . . . C 48 LEU HD21 . 25797 1 503 . 1 1 48 48 LEU HD22 H 1 1.1120 . . 2 . . . C 48 LEU HD22 . 25797 1 504 . 1 1 48 48 LEU HD23 H 1 1.1120 . . 2 . . . C 48 LEU HD23 . 25797 1 505 . 1 1 48 48 LEU CA C 13 54.4700 . . 1 . . . C 48 LEU CA . 25797 1 506 . 1 1 48 48 LEU CB C 13 42.1260 . . 1 . . . C 48 LEU CB . 25797 1 507 . 1 1 48 48 LEU CG C 13 26.6650 . . 1 . . . C 48 LEU CG . 25797 1 508 . 1 1 48 48 LEU CD1 C 13 26.6860 . . 2 . . . C 48 LEU CD1 . 25797 1 509 . 1 1 48 48 LEU CD2 C 13 22.6540 . . 2 . . . C 48 LEU CD2 . 25797 1 510 . 1 1 48 48 LEU N N 15 118.0040 . . 1 . . . C 48 LEU N . 25797 1 511 . 1 1 49 49 GLY H H 1 7.8490 . . 1 . . . C 49 GLY H . 25797 1 512 . 1 1 49 49 GLY HA2 H 1 4.2470 . . 2 . . . C 49 GLY HA2 . 25797 1 513 . 1 1 49 49 GLY HA3 H 1 3.8310 . . 2 . . . C 49 GLY HA3 . 25797 1 514 . 1 1 49 49 GLY CA C 13 45.9380 . . 1 . . . C 49 GLY CA . 25797 1 515 . 1 1 49 49 GLY N N 15 107.3680 . . 1 . . . C 49 GLY N . 25797 1 516 . 1 1 50 50 GLN H H 1 8.1680 . . 1 . . . C 50 GLN H . 25797 1 517 . 1 1 50 50 GLN HA H 1 4.5010 . . 1 . . . C 50 GLN HA . 25797 1 518 . 1 1 50 50 GLN HB2 H 1 2.1370 . . 2 . . . C 50 GLN HB2 . 25797 1 519 . 1 1 50 50 GLN HB3 H 1 1.6270 . . 2 . . . C 50 GLN HB3 . 25797 1 520 . 1 1 50 50 GLN HG3 H 1 2.1710 . . 2 . . . C 50 GLN HG3 . 25797 1 521 . 1 1 50 50 GLN HE21 H 1 7.3720 . . 2 . . . C 50 GLN HE21 . 25797 1 522 . 1 1 50 50 GLN HE22 H 1 6.8090 . . 2 . . . C 50 GLN HE22 . 25797 1 523 . 1 1 50 50 GLN CA C 13 54.0710 . . 1 . . . C 50 GLN CA . 25797 1 524 . 1 1 50 50 GLN CB C 13 30.9160 . . 1 . . . C 50 GLN CB . 25797 1 525 . 1 1 50 50 GLN CG C 13 33.4520 . . 1 . . . C 50 GLN CG . 25797 1 526 . 1 1 50 50 GLN N N 15 118.8230 . . 1 . . . C 50 GLN N . 25797 1 527 . 1 1 50 50 GLN NE2 N 15 111.9330 . . 1 . . . C 50 GLN NE2 . 25797 1 528 . 1 1 51 51 ASN H H 1 8.6710 . . 1 . . . C 51 ASN H . 25797 1 529 . 1 1 51 51 ASN HA H 1 5.1180 . . 1 . . . C 51 ASN HA . 25797 1 530 . 1 1 51 51 ASN HB2 H 1 2.7560 . . 2 . . . C 51 ASN HB2 . 25797 1 531 . 1 1 51 51 ASN HB3 H 1 2.5120 . . 2 . . . C 51 ASN HB3 . 25797 1 532 . 1 1 51 51 ASN HD21 H 1 6.7290 . . 2 . . . C 51 ASN HD21 . 25797 1 533 . 1 1 51 51 ASN HD22 H 1 7.4840 . . 2 . . . C 51 ASN HD22 . 25797 1 534 . 1 1 51 51 ASN CA C 13 51.2690 . . 1 . . . C 51 ASN CA . 25797 1 535 . 1 1 51 51 ASN CB C 13 39.4820 . . 1 . . . C 51 ASN CB . 25797 1 536 . 1 1 51 51 ASN N N 15 116.9480 . . 1 . . . C 51 ASN N . 25797 1 537 . 1 1 51 51 ASN ND2 N 15 112.2170 . . 1 . . . C 51 ASN ND2 . 25797 1 538 . 1 1 52 52 PRO HA H 1 4.7350 . . 1 . . . C 52 PRO HA . 25797 1 539 . 1 1 52 52 PRO HB2 H 1 1.9440 . . 2 . . . C 52 PRO HB2 . 25797 1 540 . 1 1 52 52 PRO HB3 H 1 2.2160 . . 2 . . . C 52 PRO HB3 . 25797 1 541 . 1 1 52 52 PRO HG2 H 1 1.9090 . . 2 . . . C 52 PRO HG2 . 25797 1 542 . 1 1 52 52 PRO HG3 H 1 1.8710 . . 2 . . . C 52 PRO HG3 . 25797 1 543 . 1 1 52 52 PRO HD2 H 1 3.5830 . . 2 . . . C 52 PRO HD2 . 25797 1 544 . 1 1 52 52 PRO HD3 H 1 3.3250 . . 2 . . . C 52 PRO HD3 . 25797 1 545 . 1 1 52 52 PRO CA C 13 62.5510 . . 1 . . . C 52 PRO CA . 25797 1 546 . 1 1 52 52 PRO CB C 13 31.5970 . . 1 . . . C 52 PRO CB . 25797 1 547 . 1 1 52 52 PRO CG C 13 27.4470 . . 1 . . . C 52 PRO CG . 25797 1 548 . 1 1 52 52 PRO CD C 13 49.8530 . . 1 . . . C 52 PRO CD . 25797 1 549 . 1 1 53 53 THR H H 1 8.7900 . . 1 . . . C 53 THR H . 25797 1 550 . 1 1 53 53 THR HA H 1 4.6060 . . 1 . . . C 53 THR HA . 25797 1 551 . 1 1 53 53 THR HB H 1 4.7910 . . 1 . . . C 53 THR HB . 25797 1 552 . 1 1 53 53 THR HG21 H 1 1.3880 . . 1 . . . C 53 THR HG21 . 25797 1 553 . 1 1 53 53 THR HG22 H 1 1.3880 . . 1 . . . C 53 THR HG22 . 25797 1 554 . 1 1 53 53 THR HG23 H 1 1.3880 . . 1 . . . C 53 THR HG23 . 25797 1 555 . 1 1 53 53 THR CA C 13 60.5920 . . 1 . . . C 53 THR CA . 25797 1 556 . 1 1 53 53 THR CB C 13 68.0990 . . 1 . . . C 53 THR CB . 25797 1 557 . 1 1 53 53 THR CG2 C 13 22.1550 . . 1 . . . C 53 THR CG2 . 25797 1 558 . 1 1 53 53 THR N N 15 114.3950 . . 1 . . . C 53 THR N . 25797 1 559 . 1 1 54 54 PRO HA H 1 4.1720 . . 1 . . . C 54 PRO HA . 25797 1 560 . 1 1 54 54 PRO HB2 H 1 2.4000 . . 2 . . . C 54 PRO HB2 . 25797 1 561 . 1 1 54 54 PRO HB3 H 1 1.9270 . . 2 . . . C 54 PRO HB3 . 25797 1 562 . 1 1 54 54 PRO HG2 H 1 2.2420 . . 2 . . . C 54 PRO HG2 . 25797 1 563 . 1 1 54 54 PRO HG3 H 1 2.0080 . . 2 . . . C 54 PRO HG3 . 25797 1 564 . 1 1 54 54 PRO HD3 H 1 3.9250 . . 2 . . . C 54 PRO HD3 . 25797 1 565 . 1 1 54 54 PRO CA C 13 66.1750 . . 1 . . . C 54 PRO CA . 25797 1 566 . 1 1 54 54 PRO CB C 13 31.7170 . . 1 . . . C 54 PRO CB . 25797 1 567 . 1 1 54 54 PRO CG C 13 28.3380 . . 1 . . . C 54 PRO CG . 25797 1 568 . 1 1 54 54 PRO CD C 13 50.1850 . . 1 . . . C 54 PRO CD . 25797 1 569 . 1 1 55 55 GLU H H 1 8.7880 . . 1 . . . C 55 GLU H . 25797 1 570 . 1 1 55 55 GLU HA H 1 4.0220 . . 1 . . . C 55 GLU HA . 25797 1 571 . 1 1 55 55 GLU HB2 H 1 2.0410 . . 2 . . . C 55 GLU HB2 . 25797 1 572 . 1 1 55 55 GLU HB3 H 1 1.9500 . . 2 . . . C 55 GLU HB3 . 25797 1 573 . 1 1 55 55 GLU HG2 H 1 2.4550 . . 2 . . . C 55 GLU HG2 . 25797 1 574 . 1 1 55 55 GLU HG3 H 1 2.2700 . . 2 . . . C 55 GLU HG3 . 25797 1 575 . 1 1 55 55 GLU CA C 13 60.4160 . . 1 . . . C 55 GLU CA . 25797 1 576 . 1 1 55 55 GLU CB C 13 28.8760 . . 1 . . . C 55 GLU CB . 25797 1 577 . 1 1 55 55 GLU CG C 13 37.1580 . . 1 . . . C 55 GLU CG . 25797 1 578 . 1 1 55 55 GLU N N 15 117.4490 . . 1 . . . C 55 GLU N . 25797 1 579 . 1 1 56 56 GLU H H 1 7.7730 . . 1 . . . C 56 GLU H . 25797 1 580 . 1 1 56 56 GLU HA H 1 4.0060 . . 1 . . . C 56 GLU HA . 25797 1 581 . 1 1 56 56 GLU HB2 H 1 2.3020 . . 2 . . . C 56 GLU HB2 . 25797 1 582 . 1 1 56 56 GLU HB3 H 1 1.9040 . . 2 . . . C 56 GLU HB3 . 25797 1 583 . 1 1 56 56 GLU HG3 H 1 2.3010 . . 2 . . . C 56 GLU HG3 . 25797 1 584 . 1 1 56 56 GLU CA C 13 58.8210 . . 1 . . . C 56 GLU CA . 25797 1 585 . 1 1 56 56 GLU CB C 13 30.0440 . . 1 . . . C 56 GLU CB . 25797 1 586 . 1 1 56 56 GLU CG C 13 37.1150 . . 1 . . . C 56 GLU CG . 25797 1 587 . 1 1 56 56 GLU N N 15 121.6220 . . 1 . . . C 56 GLU N . 25797 1 588 . 1 1 57 57 LEU H H 1 8.5580 . . 1 . . . C 57 LEU H . 25797 1 589 . 1 1 57 57 LEU HA H 1 4.0290 . . 1 . . . C 57 LEU HA . 25797 1 590 . 1 1 57 57 LEU HB2 H 1 1.6960 . . 2 . . . C 57 LEU HB2 . 25797 1 591 . 1 1 57 57 LEU HB3 H 1 1.5740 . . 2 . . . C 57 LEU HB3 . 25797 1 592 . 1 1 57 57 LEU HG H 1 1.5810 . . 1 . . . C 57 LEU HG . 25797 1 593 . 1 1 57 57 LEU HD11 H 1 0.8140 . . 2 . . . C 57 LEU HD11 . 25797 1 594 . 1 1 57 57 LEU HD12 H 1 0.8140 . . 2 . . . C 57 LEU HD12 . 25797 1 595 . 1 1 57 57 LEU HD13 H 1 0.8140 . . 2 . . . C 57 LEU HD13 . 25797 1 596 . 1 1 57 57 LEU HD21 H 1 0.8140 . . 2 . . . C 57 LEU HD21 . 25797 1 597 . 1 1 57 57 LEU HD22 H 1 0.8140 . . 2 . . . C 57 LEU HD22 . 25797 1 598 . 1 1 57 57 LEU HD23 H 1 0.8140 . . 2 . . . C 57 LEU HD23 . 25797 1 599 . 1 1 57 57 LEU CA C 13 57.8740 . . 1 . . . C 57 LEU CA . 25797 1 600 . 1 1 57 57 LEU CB C 13 41.9890 . . 1 . . . C 57 LEU CB . 25797 1 601 . 1 1 57 57 LEU CG C 13 26.8950 . . 1 . . . C 57 LEU CG . 25797 1 602 . 1 1 57 57 LEU CD1 C 13 24.4500 . . 2 . . . C 57 LEU CD1 . 25797 1 603 . 1 1 57 57 LEU CD2 C 13 25.0720 . . 2 . . . C 57 LEU CD2 . 25797 1 604 . 1 1 57 57 LEU N N 15 120.5350 . . 1 . . . C 57 LEU N . 25797 1 605 . 1 1 58 58 GLN H H 1 7.8640 . . 1 . . . C 58 GLN H . 25797 1 606 . 1 1 58 58 GLN HA H 1 3.8240 . . 1 . . . C 58 GLN HA . 25797 1 607 . 1 1 58 58 GLN HB3 H 1 2.1370 . . 2 . . . C 58 GLN HB3 . 25797 1 608 . 1 1 58 58 GLN HG3 H 1 2.3910 . . 2 . . . C 58 GLN HG3 . 25797 1 609 . 1 1 58 58 GLN HE21 H 1 7.7900 . . 2 . . . C 58 GLN HE21 . 25797 1 610 . 1 1 58 58 GLN HE22 H 1 6.8300 . . 2 . . . C 58 GLN HE22 . 25797 1 611 . 1 1 58 58 GLN CA C 13 58.4760 . . 1 . . . C 58 GLN CA . 25797 1 612 . 1 1 58 58 GLN CB C 13 28.3000 . . 1 . . . C 58 GLN CB . 25797 1 613 . 1 1 58 58 GLN CG C 13 33.6650 . . 1 . . . C 58 GLN CG . 25797 1 614 . 1 1 58 58 GLN N N 15 117.4970 . . 1 . . . C 58 GLN N . 25797 1 615 . 1 1 58 58 GLN NE2 N 15 115.5510 . . 1 . . . C 58 GLN NE2 . 25797 1 616 . 1 1 59 59 GLU H H 1 7.6500 . . 1 . . . C 59 GLU H . 25797 1 617 . 1 1 59 59 GLU HA H 1 4.0690 . . 1 . . . C 59 GLU HA . 25797 1 618 . 1 1 59 59 GLU HB2 H 1 2.0970 . . 2 . . . C 59 GLU HB2 . 25797 1 619 . 1 1 59 59 GLU HB3 H 1 2.0850 . . 2 . . . C 59 GLU HB3 . 25797 1 620 . 1 1 59 59 GLU HG2 H 1 2.4120 . . 2 . . . C 59 GLU HG2 . 25797 1 621 . 1 1 59 59 GLU HG3 H 1 2.2150 . . 2 . . . C 59 GLU HG3 . 25797 1 622 . 1 1 59 59 GLU CA C 13 59.3930 . . 1 . . . C 59 GLU CA . 25797 1 623 . 1 1 59 59 GLU CB C 13 29.4860 . . 1 . . . C 59 GLU CB . 25797 1 624 . 1 1 59 59 GLU CG C 13 36.2670 . . 1 . . . C 59 GLU CG . 25797 1 625 . 1 1 59 59 GLU N N 15 118.2510 . . 1 . . . C 59 GLU N . 25797 1 626 . 1 1 60 60 MET H H 1 7.8770 . . 1 . . . C 60 MET H . 25797 1 627 . 1 1 60 60 MET HA H 1 3.9840 . . 1 . . . C 60 MET HA . 25797 1 628 . 1 1 60 60 MET HB2 H 1 2.2320 . . 2 . . . C 60 MET HB2 . 25797 1 629 . 1 1 60 60 MET HB3 H 1 2.0680 . . 2 . . . C 60 MET HB3 . 25797 1 630 . 1 1 60 60 MET HG2 H 1 2.4350 . . 2 . . . C 60 MET HG2 . 25797 1 631 . 1 1 60 60 MET HG3 H 1 2.6380 . . 2 . . . C 60 MET HG3 . 25797 1 632 . 1 1 60 60 MET HE1 H 1 1.9620 . . 1 . . . C 60 MET HE1 . 25797 1 633 . 1 1 60 60 MET HE2 H 1 1.9620 . . 1 . . . C 60 MET HE2 . 25797 1 634 . 1 1 60 60 MET HE3 H 1 1.9620 . . 1 . . . C 60 MET HE3 . 25797 1 635 . 1 1 60 60 MET CA C 13 59.3050 . . 1 . . . C 60 MET CA . 25797 1 636 . 1 1 60 60 MET CB C 13 33.3240 . . 1 . . . C 60 MET CB . 25797 1 637 . 1 1 60 60 MET CG C 13 32.4520 . . 1 . . . C 60 MET CG . 25797 1 638 . 1 1 60 60 MET CE C 13 17.1830 . . 1 . . . C 60 MET CE . 25797 1 639 . 1 1 60 60 MET N N 15 117.6110 . . 1 . . . C 60 MET N . 25797 1 640 . 1 1 61 61 ILE H H 1 8.2300 . . 1 . . . C 61 ILE H . 25797 1 641 . 1 1 61 61 ILE HA H 1 3.3140 . . 1 . . . C 61 ILE HA . 25797 1 642 . 1 1 61 61 ILE HB H 1 1.8630 . . 1 . . . C 61 ILE HB . 25797 1 643 . 1 1 61 61 ILE HG12 H 1 1.7840 . . 2 . . . C 61 ILE HG12 . 25797 1 644 . 1 1 61 61 ILE HG13 H 1 0.7120 . . 2 . . . C 61 ILE HG13 . 25797 1 645 . 1 1 61 61 ILE HG21 H 1 0.8460 . . 1 . . . C 61 ILE HG21 . 25797 1 646 . 1 1 61 61 ILE HG22 H 1 0.8460 . . 1 . . . C 61 ILE HG22 . 25797 1 647 . 1 1 61 61 ILE HG23 H 1 0.8460 . . 1 . . . C 61 ILE HG23 . 25797 1 648 . 1 1 61 61 ILE HD11 H 1 0.7790 . . 1 . . . C 61 ILE HD11 . 25797 1 649 . 1 1 61 61 ILE HD12 H 1 0.7790 . . 1 . . . C 61 ILE HD12 . 25797 1 650 . 1 1 61 61 ILE HD13 H 1 0.7790 . . 1 . . . C 61 ILE HD13 . 25797 1 651 . 1 1 61 61 ILE CA C 13 66.0600 . . 1 . . . C 61 ILE CA . 25797 1 652 . 1 1 61 61 ILE CB C 13 38.0140 . . 1 . . . C 61 ILE CB . 25797 1 653 . 1 1 61 61 ILE CG1 C 13 30.3910 . . 1 . . . C 61 ILE CG1 . 25797 1 654 . 1 1 61 61 ILE CG2 C 13 17.2350 . . 1 . . . C 61 ILE CG2 . 25797 1 655 . 1 1 61 61 ILE CD1 C 13 14.3080 . . 1 . . . C 61 ILE CD1 . 25797 1 656 . 1 1 61 61 ILE N N 15 120.0090 . . 1 . . . C 61 ILE N . 25797 1 657 . 1 1 62 62 ASP H H 1 8.1540 . . 1 . . . C 62 ASP H . 25797 1 658 . 1 1 62 62 ASP HA H 1 4.3220 . . 1 . . . C 62 ASP HA . 25797 1 659 . 1 1 62 62 ASP HB2 H 1 2.7780 . . 2 . . . C 62 ASP HB2 . 25797 1 660 . 1 1 62 62 ASP HB3 H 1 2.6720 . . 2 . . . C 62 ASP HB3 . 25797 1 661 . 1 1 62 62 ASP CA C 13 57.0520 . . 1 . . . C 62 ASP CA . 25797 1 662 . 1 1 62 62 ASP CB C 13 40.4380 . . 1 . . . C 62 ASP CB . 25797 1 663 . 1 1 62 62 ASP N N 15 118.2960 . . 1 . . . C 62 ASP N . 25797 1 664 . 1 1 63 63 GLU H H 1 7.5360 . . 1 . . . C 63 GLU H . 25797 1 665 . 1 1 63 63 GLU HA H 1 4.1980 . . 1 . . . C 63 GLU HA . 25797 1 666 . 1 1 63 63 GLU HB3 H 1 2.0130 . . 2 . . . C 63 GLU HB3 . 25797 1 667 . 1 1 63 63 GLU HG3 H 1 2.2380 . . 2 . . . C 63 GLU HG3 . 25797 1 668 . 1 1 63 63 GLU CA C 13 57.9830 . . 1 . . . C 63 GLU CA . 25797 1 669 . 1 1 63 63 GLU CB C 13 30.7820 . . 1 . . . C 63 GLU CB . 25797 1 670 . 1 1 63 63 GLU CG C 13 36.2670 . . 1 . . . C 63 GLU CG . 25797 1 671 . 1 1 63 63 GLU N N 15 116.0160 . . 1 . . . C 63 GLU N . 25797 1 672 . 1 1 64 64 VAL H H 1 7.9910 . . 1 . . . C 64 VAL H . 25797 1 673 . 1 1 64 64 VAL HA H 1 4.2050 . . 1 . . . C 64 VAL HA . 25797 1 674 . 1 1 64 64 VAL HB H 1 2.2490 . . 1 . . . C 64 VAL HB . 25797 1 675 . 1 1 64 64 VAL HG11 H 1 0.8890 . . 2 . . . C 64 VAL HG11 . 25797 1 676 . 1 1 64 64 VAL HG12 H 1 0.8890 . . 2 . . . C 64 VAL HG12 . 25797 1 677 . 1 1 64 64 VAL HG13 H 1 0.8890 . . 2 . . . C 64 VAL HG13 . 25797 1 678 . 1 1 64 64 VAL CA C 13 63.1560 . . 1 . . . C 64 VAL CA . 25797 1 679 . 1 1 64 64 VAL CB C 13 32.3440 . . 1 . . . C 64 VAL CB . 25797 1 680 . 1 1 64 64 VAL CG1 C 13 21.4650 . . 2 . . . C 64 VAL CG1 . 25797 1 681 . 1 1 64 64 VAL N N 15 113.8220 . . 1 . . . C 64 VAL N . 25797 1 682 . 1 1 65 65 ASP H H 1 8.1440 . . 1 . . . C 65 ASP H . 25797 1 683 . 1 1 65 65 ASP HA H 1 4.9600 . . 1 . . . C 65 ASP HA . 25797 1 684 . 1 1 65 65 ASP HB2 H 1 2.9190 . . 2 . . . C 65 ASP HB2 . 25797 1 685 . 1 1 65 65 ASP HB3 H 1 2.1990 . . 2 . . . C 65 ASP HB3 . 25797 1 686 . 1 1 65 65 ASP CA C 13 52.9240 . . 1 . . . C 65 ASP CA . 25797 1 687 . 1 1 65 65 ASP CB C 13 39.0720 . . 1 . . . C 65 ASP CB . 25797 1 688 . 1 1 65 65 ASP N N 15 120.4860 . . 1 . . . C 65 ASP N . 25797 1 689 . 1 1 66 66 GLU H H 1 8.3120 . . 1 . . . C 66 GLU H . 25797 1 690 . 1 1 66 66 GLU HA H 1 4.0460 . . 1 . . . C 66 GLU HA . 25797 1 691 . 1 1 66 66 GLU HB3 H 1 2.1520 . . 2 . . . C 66 GLU HB3 . 25797 1 692 . 1 1 66 66 GLU HG2 H 1 2.3410 . . 2 . . . C 66 GLU HG2 . 25797 1 693 . 1 1 66 66 GLU HG3 H 1 2.3930 . . 2 . . . C 66 GLU HG3 . 25797 1 694 . 1 1 66 66 GLU CA C 13 59.1660 . . 1 . . . C 66 GLU CA . 25797 1 695 . 1 1 66 66 GLU CB C 13 30.4180 . . 1 . . . C 66 GLU CB . 25797 1 696 . 1 1 66 66 GLU CG C 13 36.3560 . . 1 . . . C 66 GLU CG . 25797 1 697 . 1 1 66 66 GLU N N 15 126.7990 . . 1 . . . C 66 GLU N . 25797 1 698 . 1 1 67 67 ASP H H 1 8.0020 . . 1 . . . C 67 ASP H . 25797 1 699 . 1 1 67 67 ASP HA H 1 4.6440 . . 1 . . . C 67 ASP HA . 25797 1 700 . 1 1 67 67 ASP HB2 H 1 3.0940 . . 2 . . . C 67 ASP HB2 . 25797 1 701 . 1 1 67 67 ASP HB3 H 1 2.7610 . . 2 . . . C 67 ASP HB3 . 25797 1 702 . 1 1 67 67 ASP CA C 13 52.5180 . . 1 . . . C 67 ASP CA . 25797 1 703 . 1 1 67 67 ASP CB C 13 39.8130 . . 1 . . . C 67 ASP CB . 25797 1 704 . 1 1 67 67 ASP N N 15 114.0690 . . 1 . . . C 67 ASP N . 25797 1 705 . 1 1 68 68 GLY H H 1 7.9120 . . 1 . . . C 68 GLY H . 25797 1 706 . 1 1 68 68 GLY HA2 H 1 3.8600 . . 2 . . . C 68 GLY HA2 . 25797 1 707 . 1 1 68 68 GLY HA3 H 1 3.8090 . . 2 . . . C 68 GLY HA3 . 25797 1 708 . 1 1 68 68 GLY CA C 13 47.0750 . . 1 . . . C 68 GLY CA . 25797 1 709 . 1 1 68 68 GLY N N 15 109.2200 . . 1 . . . C 68 GLY N . 25797 1 710 . 1 1 69 69 SER H H 1 8.4060 . . 1 . . . C 69 SER H . 25797 1 711 . 1 1 69 69 SER HA H 1 4.2040 . . 1 . . . C 69 SER HA . 25797 1 712 . 1 1 69 69 SER HB2 H 1 4.2150 . . 2 . . . C 69 SER HB2 . 25797 1 713 . 1 1 69 69 SER HB3 H 1 3.9240 . . 2 . . . C 69 SER HB3 . 25797 1 714 . 1 1 69 69 SER CA C 13 60.1340 . . 1 . . . C 69 SER CA . 25797 1 715 . 1 1 69 69 SER CB C 13 64.8530 . . 1 . . . C 69 SER CB . 25797 1 716 . 1 1 69 69 SER N N 15 115.7180 . . 1 . . . C 69 SER N . 25797 1 717 . 1 1 70 70 GLY H H 1 10.7670 . . 1 . . . C 70 GLY H . 25797 1 718 . 1 1 70 70 GLY HA2 H 1 4.1950 . . 2 . . . C 70 GLY HA2 . 25797 1 719 . 1 1 70 70 GLY HA3 H 1 3.5960 . . 2 . . . C 70 GLY HA3 . 25797 1 720 . 1 1 70 70 GLY CA C 13 45.7730 . . 1 . . . C 70 GLY CA . 25797 1 721 . 1 1 70 70 GLY N N 15 116.3090 . . 1 . . . C 70 GLY N . 25797 1 722 . 1 1 71 71 THR H H 1 7.8480 . . 1 . . . C 71 THR H . 25797 1 723 . 1 1 71 71 THR HA H 1 4.9590 . . 1 . . . C 71 THR HA . 25797 1 724 . 1 1 71 71 THR HB H 1 3.9970 . . 1 . . . C 71 THR HB . 25797 1 725 . 1 1 71 71 THR HG21 H 1 1.0810 . . 1 . . . C 71 THR HG21 . 25797 1 726 . 1 1 71 71 THR HG22 H 1 1.0810 . . 1 . . . C 71 THR HG22 . 25797 1 727 . 1 1 71 71 THR HG23 H 1 1.0810 . . 1 . . . C 71 THR HG23 . 25797 1 728 . 1 1 71 71 THR CA C 13 58.4560 . . 1 . . . C 71 THR CA . 25797 1 729 . 1 1 71 71 THR CB C 13 72.9580 . . 1 . . . C 71 THR CB . 25797 1 730 . 1 1 71 71 THR CG2 C 13 22.5100 . . 1 . . . C 71 THR CG2 . 25797 1 731 . 1 1 71 71 THR N N 15 109.8930 . . 1 . . . C 71 THR N . 25797 1 732 . 1 1 72 72 VAL H H 1 9.7000 . . 1 . . . C 72 VAL H . 25797 1 733 . 1 1 72 72 VAL HA H 1 5.1350 . . 1 . . . C 72 VAL HA . 25797 1 734 . 1 1 72 72 VAL HB H 1 2.1580 . . 1 . . . C 72 VAL HB . 25797 1 735 . 1 1 72 72 VAL HG11 H 1 0.8720 . . 2 . . . C 72 VAL HG11 . 25797 1 736 . 1 1 72 72 VAL HG12 H 1 0.8720 . . 2 . . . C 72 VAL HG12 . 25797 1 737 . 1 1 72 72 VAL HG13 H 1 0.8720 . . 2 . . . C 72 VAL HG13 . 25797 1 738 . 1 1 72 72 VAL HG21 H 1 1.1570 . . 2 . . . C 72 VAL HG21 . 25797 1 739 . 1 1 72 72 VAL HG22 H 1 1.1570 . . 2 . . . C 72 VAL HG22 . 25797 1 740 . 1 1 72 72 VAL HG23 H 1 1.1570 . . 2 . . . C 72 VAL HG23 . 25797 1 741 . 1 1 72 72 VAL CA C 13 61.0140 . . 1 . . . C 72 VAL CA . 25797 1 742 . 1 1 72 72 VAL CB C 13 33.7210 . . 1 . . . C 72 VAL CB . 25797 1 743 . 1 1 72 72 VAL CG1 C 13 21.8540 . . 2 . . . C 72 VAL CG1 . 25797 1 744 . 1 1 72 72 VAL CG2 C 13 21.6920 . . 2 . . . C 72 VAL CG2 . 25797 1 745 . 1 1 72 72 VAL N N 15 126.2930 . . 1 . . . C 72 VAL N . 25797 1 746 . 1 1 73 73 ASP H H 1 8.5960 . . 1 . . . C 73 ASP H . 25797 1 747 . 1 1 73 73 ASP HA H 1 5.1780 . . 1 . . . C 73 ASP HA . 25797 1 748 . 1 1 73 73 ASP HB2 H 1 3.2590 . . 2 . . . C 73 ASP HB2 . 25797 1 749 . 1 1 73 73 ASP HB3 H 1 2.6680 . . 2 . . . C 73 ASP HB3 . 25797 1 750 . 1 1 73 73 ASP CA C 13 52.5260 . . 1 . . . C 73 ASP CA . 25797 1 751 . 1 1 73 73 ASP CB C 13 41.8270 . . 1 . . . C 73 ASP CB . 25797 1 752 . 1 1 73 73 ASP N N 15 127.3850 . . 1 . . . C 73 ASP N . 25797 1 753 . 1 1 74 74 PHE H H 1 8.8710 . . 1 . . . C 74 PHE H . 25797 1 754 . 1 1 74 74 PHE HA H 1 3.3990 . . 1 . . . C 74 PHE HA . 25797 1 755 . 1 1 74 74 PHE HB2 H 1 2.6470 . . 2 . . . C 74 PHE HB2 . 25797 1 756 . 1 1 74 74 PHE HB3 H 1 2.5560 . . 2 . . . C 74 PHE HB3 . 25797 1 757 . 1 1 74 74 PHE HD2 H 1 6.6030 . . 3 . . . C 74 PHE HD2 . 25797 1 758 . 1 1 74 74 PHE HE2 H 1 7.1480 . . 3 . . . C 74 PHE HE2 . 25797 1 759 . 1 1 74 74 PHE CA C 13 61.5390 . . 1 . . . C 74 PHE CA . 25797 1 760 . 1 1 74 74 PHE CB C 13 38.5850 . . 1 . . . C 74 PHE CB . 25797 1 761 . 1 1 74 74 PHE CD2 C 13 132.0490 . . 3 . . . C 74 PHE CD2 . 25797 1 762 . 1 1 74 74 PHE CE2 C 13 131.1060 . . 3 . . . C 74 PHE CE2 . 25797 1 763 . 1 1 74 74 PHE N N 15 118.6210 . . 1 . . . C 74 PHE N . 25797 1 764 . 1 1 75 75 ASP H H 1 7.7880 . . 1 . . . C 75 ASP H . 25797 1 765 . 1 1 75 75 ASP HA H 1 4.0820 . . 1 . . . C 75 ASP HA . 25797 1 766 . 1 1 75 75 ASP HB2 H 1 2.7100 . . 2 . . . C 75 ASP HB2 . 25797 1 767 . 1 1 75 75 ASP HB3 H 1 2.5830 . . 2 . . . C 75 ASP HB3 . 25797 1 768 . 1 1 75 75 ASP CA C 13 57.9600 . . 1 . . . C 75 ASP CA . 25797 1 769 . 1 1 75 75 ASP CB C 13 40.3570 . . 1 . . . C 75 ASP CB . 25797 1 770 . 1 1 75 75 ASP N N 15 117.2640 . . 1 . . . C 75 ASP N . 25797 1 771 . 1 1 76 76 GLU H H 1 8.1810 . . 1 . . . C 76 GLU H . 25797 1 772 . 1 1 76 76 GLU HA H 1 3.9850 . . 1 . . . C 76 GLU HA . 25797 1 773 . 1 1 76 76 GLU HB2 H 1 2.4390 . . 2 . . . C 76 GLU HB2 . 25797 1 774 . 1 1 76 76 GLU HB3 H 1 1.9540 . . 2 . . . C 76 GLU HB3 . 25797 1 775 . 1 1 76 76 GLU HG2 H 1 2.8870 . . 2 . . . C 76 GLU HG2 . 25797 1 776 . 1 1 76 76 GLU HG3 H 1 2.5000 . . 2 . . . C 76 GLU HG3 . 25797 1 777 . 1 1 76 76 GLU CA C 13 58.6770 . . 1 . . . C 76 GLU CA . 25797 1 778 . 1 1 76 76 GLU CB C 13 30.0630 . . 1 . . . C 76 GLU CB . 25797 1 779 . 1 1 76 76 GLU CG C 13 36.5830 . . 1 . . . C 76 GLU CG . 25797 1 780 . 1 1 76 76 GLU N N 15 120.5350 . . 1 . . . C 76 GLU N . 25797 1 781 . 1 1 77 77 PHE H H 1 8.8370 . . 1 . . . C 77 PHE H . 25797 1 782 . 1 1 77 77 PHE HA H 1 3.8910 . . 1 . . . C 77 PHE HA . 25797 1 783 . 1 1 77 77 PHE HB3 H 1 3.0670 . . 2 . . . C 77 PHE HB3 . 25797 1 784 . 1 1 77 77 PHE HD2 H 1 6.9250 . . 3 . . . C 77 PHE HD2 . 25797 1 785 . 1 1 77 77 PHE HE2 H 1 7.2290 . . 3 . . . C 77 PHE HE2 . 25797 1 786 . 1 1 77 77 PHE CA C 13 61.0850 . . 1 . . . C 77 PHE CA . 25797 1 787 . 1 1 77 77 PHE CB C 13 39.6880 . . 1 . . . C 77 PHE CB . 25797 1 788 . 1 1 77 77 PHE CD2 C 13 131.4300 . . 3 . . . C 77 PHE CD2 . 25797 1 789 . 1 1 77 77 PHE CE2 C 13 131.1060 . . 3 . . . C 77 PHE CE2 . 25797 1 790 . 1 1 77 77 PHE N N 15 121.6370 . . 1 . . . C 77 PHE N . 25797 1 791 . 1 1 78 78 LEU H H 1 8.0680 . . 1 . . . C 78 LEU H . 25797 1 792 . 1 1 78 78 LEU HA H 1 3.3600 . . 1 . . . C 78 LEU HA . 25797 1 793 . 1 1 78 78 LEU HB2 H 1 1.8010 . . 2 . . . C 78 LEU HB2 . 25797 1 794 . 1 1 78 78 LEU HB3 H 1 1.0610 . . 2 . . . C 78 LEU HB3 . 25797 1 795 . 1 1 78 78 LEU HG H 1 1.0510 . . 1 . . . C 78 LEU HG . 25797 1 796 . 1 1 78 78 LEU HD11 H 1 0.6490 . . 2 . . . C 78 LEU HD11 . 25797 1 797 . 1 1 78 78 LEU HD12 H 1 0.6490 . . 2 . . . C 78 LEU HD12 . 25797 1 798 . 1 1 78 78 LEU HD13 H 1 0.6490 . . 2 . . . C 78 LEU HD13 . 25797 1 799 . 1 1 78 78 LEU HD21 H 1 0.6840 . . 2 . . . C 78 LEU HD21 . 25797 1 800 . 1 1 78 78 LEU HD22 H 1 0.6840 . . 2 . . . C 78 LEU HD22 . 25797 1 801 . 1 1 78 78 LEU HD23 H 1 0.6840 . . 2 . . . C 78 LEU HD23 . 25797 1 802 . 1 1 78 78 LEU CA C 13 58.0920 . . 1 . . . C 78 LEU CA . 25797 1 803 . 1 1 78 78 LEU CB C 13 41.5460 . . 1 . . . C 78 LEU CB . 25797 1 804 . 1 1 78 78 LEU CG C 13 25.9090 . . 1 . . . C 78 LEU CG . 25797 1 805 . 1 1 78 78 LEU CD1 C 13 25.9470 . . 2 . . . C 78 LEU CD1 . 25797 1 806 . 1 1 78 78 LEU CD2 C 13 24.0490 . . 2 . . . C 78 LEU CD2 . 25797 1 807 . 1 1 78 78 LEU N N 15 118.5140 . . 1 . . . C 78 LEU N . 25797 1 808 . 1 1 79 79 VAL H H 1 7.0730 . . 1 . . . C 79 VAL H . 25797 1 809 . 1 1 79 79 VAL HA H 1 3.2430 . . 1 . . . C 79 VAL HA . 25797 1 810 . 1 1 79 79 VAL HB H 1 2.2130 . . 1 . . . C 79 VAL HB . 25797 1 811 . 1 1 79 79 VAL HG11 H 1 0.6430 . . 2 . . . C 79 VAL HG11 . 25797 1 812 . 1 1 79 79 VAL HG12 H 1 0.6430 . . 2 . . . C 79 VAL HG12 . 25797 1 813 . 1 1 79 79 VAL HG13 H 1 0.6430 . . 2 . . . C 79 VAL HG13 . 25797 1 814 . 1 1 79 79 VAL HG21 H 1 0.9990 . . 2 . . . C 79 VAL HG21 . 25797 1 815 . 1 1 79 79 VAL HG22 H 1 0.9990 . . 2 . . . C 79 VAL HG22 . 25797 1 816 . 1 1 79 79 VAL HG23 H 1 0.9990 . . 2 . . . C 79 VAL HG23 . 25797 1 817 . 1 1 79 79 VAL CA C 13 66.6450 . . 1 . . . C 79 VAL CA . 25797 1 818 . 1 1 79 79 VAL CB C 13 31.0270 . . 1 . . . C 79 VAL CB . 25797 1 819 . 1 1 79 79 VAL CG1 C 13 21.8070 . . 2 . . . C 79 VAL CG1 . 25797 1 820 . 1 1 79 79 VAL CG2 C 13 23.3680 . . 2 . . . C 79 VAL CG2 . 25797 1 821 . 1 1 79 79 VAL N N 15 117.8920 . . 1 . . . C 79 VAL N . 25797 1 822 . 1 1 80 80 MET H H 1 7.7660 . . 1 . . . C 80 MET H . 25797 1 823 . 1 1 80 80 MET HA H 1 3.6120 . . 1 . . . C 80 MET HA . 25797 1 824 . 1 1 80 80 MET HB2 H 1 2.0960 . . 2 . . . C 80 MET HB2 . 25797 1 825 . 1 1 80 80 MET HB3 H 1 1.9260 . . 2 . . . C 80 MET HB3 . 25797 1 826 . 1 1 80 80 MET HG2 H 1 2.4800 . . 2 . . . C 80 MET HG2 . 25797 1 827 . 1 1 80 80 MET HG3 H 1 2.0880 . . 2 . . . C 80 MET HG3 . 25797 1 828 . 1 1 80 80 MET HE1 H 1 1.8390 . . 1 . . . C 80 MET HE1 . 25797 1 829 . 1 1 80 80 MET HE2 H 1 1.8390 . . 1 . . . C 80 MET HE2 . 25797 1 830 . 1 1 80 80 MET HE3 H 1 1.8390 . . 1 . . . C 80 MET HE3 . 25797 1 831 . 1 1 80 80 MET CA C 13 59.2050 . . 1 . . . C 80 MET CA . 25797 1 832 . 1 1 80 80 MET CB C 13 32.7250 . . 1 . . . C 80 MET CB . 25797 1 833 . 1 1 80 80 MET CG C 13 32.3030 . . 1 . . . C 80 MET CG . 25797 1 834 . 1 1 80 80 MET CE C 13 17.5830 . . 1 . . . C 80 MET CE . 25797 1 835 . 1 1 80 80 MET N N 15 119.2670 . . 1 . . . C 80 MET N . 25797 1 836 . 1 1 81 81 MET H H 1 8.0330 . . 1 . . . C 81 MET H . 25797 1 837 . 1 1 81 81 MET HA H 1 4.0090 . . 1 . . . C 81 MET HA . 25797 1 838 . 1 1 81 81 MET HB2 H 1 1.0530 . . 2 . . . C 81 MET HB2 . 25797 1 839 . 1 1 81 81 MET HB3 H 1 1.5050 . . 2 . . . C 81 MET HB3 . 25797 1 840 . 1 1 81 81 MET HG2 H 1 1.2190 . . 2 . . . C 81 MET HG2 . 25797 1 841 . 1 1 81 81 MET HG3 H 1 1.0050 . . 2 . . . C 81 MET HG3 . 25797 1 842 . 1 1 81 81 MET HE1 H 1 1.3740 . . 1 . . . C 81 MET HE1 . 25797 1 843 . 1 1 81 81 MET HE2 H 1 1.3740 . . 1 . . . C 81 MET HE2 . 25797 1 844 . 1 1 81 81 MET HE3 H 1 1.3740 . . 1 . . . C 81 MET HE3 . 25797 1 845 . 1 1 81 81 MET CA C 13 56.1020 . . 1 . . . C 81 MET CA . 25797 1 846 . 1 1 81 81 MET CB C 13 30.6760 . . 1 . . . C 81 MET CB . 25797 1 847 . 1 1 81 81 MET CG C 13 31.3930 . . 1 . . . C 81 MET CG . 25797 1 848 . 1 1 81 81 MET CE C 13 17.1860 . . 1 . . . C 81 MET CE . 25797 1 849 . 1 1 81 81 MET N N 15 117.4930 . . 1 . . . C 81 MET N . 25797 1 850 . 1 1 82 82 VAL H H 1 8.0590 . . 1 . . . C 82 VAL H . 25797 1 851 . 1 1 82 82 VAL HA H 1 3.9270 . . 1 . . . C 82 VAL HA . 25797 1 852 . 1 1 82 82 VAL HB H 1 2.1970 . . 1 . . . C 82 VAL HB . 25797 1 853 . 1 1 82 82 VAL HG11 H 1 0.9860 . . 2 . . . C 82 VAL HG11 . 25797 1 854 . 1 1 82 82 VAL HG12 H 1 0.9860 . . 2 . . . C 82 VAL HG12 . 25797 1 855 . 1 1 82 82 VAL HG13 H 1 0.9860 . . 2 . . . C 82 VAL HG13 . 25797 1 856 . 1 1 82 82 VAL HG21 H 1 1.1160 . . 2 . . . C 82 VAL HG21 . 25797 1 857 . 1 1 82 82 VAL HG22 H 1 1.1160 . . 2 . . . C 82 VAL HG22 . 25797 1 858 . 1 1 82 82 VAL HG23 H 1 1.1160 . . 2 . . . C 82 VAL HG23 . 25797 1 859 . 1 1 82 82 VAL CA C 13 65.8050 . . 1 . . . C 82 VAL CA . 25797 1 860 . 1 1 82 82 VAL CB C 13 31.2770 . . 1 . . . C 82 VAL CB . 25797 1 861 . 1 1 82 82 VAL CG1 C 13 21.7950 . . 2 . . . C 82 VAL CG1 . 25797 1 862 . 1 1 82 82 VAL CG2 C 13 21.8610 . . 2 . . . C 82 VAL CG2 . 25797 1 863 . 1 1 82 82 VAL N N 15 117.5090 . . 1 . . . C 82 VAL N . 25797 1 864 . 1 1 83 83 ARG H H 1 8.0920 . . 1 . . . C 83 ARG H . 25797 1 865 . 1 1 83 83 ARG HA H 1 3.8420 . . 1 . . . C 83 ARG HA . 25797 1 866 . 1 1 83 83 ARG HB2 H 1 1.5080 . . 2 . . . C 83 ARG HB2 . 25797 1 867 . 1 1 83 83 ARG HB3 H 1 1.6770 . . 2 . . . C 83 ARG HB3 . 25797 1 868 . 1 1 83 83 ARG HG2 H 1 1.4480 . . 2 . . . C 83 ARG HG2 . 25797 1 869 . 1 1 83 83 ARG HG3 H 1 1.1620 . . 2 . . . C 83 ARG HG3 . 25797 1 870 . 1 1 83 83 ARG HD3 H 1 2.7180 . . 2 . . . C 83 ARG HD3 . 25797 1 871 . 1 1 83 83 ARG CA C 13 59.0480 . . 1 . . . C 83 ARG CA . 25797 1 872 . 1 1 83 83 ARG CB C 13 30.0600 . . 1 . . . C 83 ARG CB . 25797 1 873 . 1 1 83 83 ARG CG C 13 27.5500 . . 1 . . . C 83 ARG CG . 25797 1 874 . 1 1 83 83 ARG CD C 13 43.4040 . . 1 . . . C 83 ARG CD . 25797 1 875 . 1 1 83 83 ARG N N 15 120.5370 . . 1 . . . C 83 ARG N . 25797 1 876 . 1 1 84 84 SER H H 1 7.7250 . . 1 . . . C 84 SER H . 25797 1 877 . 1 1 84 84 SER HA H 1 4.2710 . . 1 . . . C 84 SER HA . 25797 1 878 . 1 1 84 84 SER HB2 H 1 3.8380 . . 2 . . . C 84 SER HB2 . 25797 1 879 . 1 1 84 84 SER HB3 H 1 4.2690 . . 2 . . . C 84 SER HB3 . 25797 1 880 . 1 1 84 84 SER CA C 13 60.3220 . . 1 . . . C 84 SER CA . 25797 1 881 . 1 1 84 84 SER CB C 13 63.6690 . . 1 . . . C 84 SER CB . 25797 1 882 . 1 1 84 84 SER N N 15 113.5700 . . 1 . . . C 84 SER N . 25797 1 883 . 1 1 85 85 MET H H 1 7.6410 . . 1 . . . C 85 MET H . 25797 1 884 . 1 1 85 85 MET HA H 1 4.3160 . . 1 . . . C 85 MET HA . 25797 1 885 . 1 1 85 85 MET HB2 H 1 2.1920 . . 2 . . . C 85 MET HB2 . 25797 1 886 . 1 1 85 85 MET HB3 H 1 2.0870 . . 2 . . . C 85 MET HB3 . 25797 1 887 . 1 1 85 85 MET HG2 H 1 2.7710 . . 2 . . . C 85 MET HG2 . 25797 1 888 . 1 1 85 85 MET HG3 H 1 2.5830 . . 2 . . . C 85 MET HG3 . 25797 1 889 . 1 1 85 85 MET HE1 H 1 2.1310 . . 1 . . . C 85 MET HE1 . 25797 1 890 . 1 1 85 85 MET HE2 H 1 2.1310 . . 1 . . . C 85 MET HE2 . 25797 1 891 . 1 1 85 85 MET HE3 H 1 2.1310 . . 1 . . . C 85 MET HE3 . 25797 1 892 . 1 1 85 85 MET CA C 13 56.8040 . . 1 . . . C 85 MET CA . 25797 1 893 . 1 1 85 85 MET CB C 13 33.6410 . . 1 . . . C 85 MET CB . 25797 1 894 . 1 1 85 85 MET CG C 13 32.1050 . . 1 . . . C 85 MET CG . 25797 1 895 . 1 1 85 85 MET CE C 13 16.8970 . . 1 . . . C 85 MET CE . 25797 1 896 . 1 1 85 85 MET N N 15 119.9690 . . 1 . . . C 85 MET N . 25797 1 897 . 1 1 86 86 LYS H H 1 7.7700 . . 1 . . . C 86 LYS H . 25797 1 898 . 1 1 86 86 LYS HA H 1 4.3290 . . 1 . . . C 86 LYS HA . 25797 1 899 . 1 1 86 86 LYS HB2 H 1 1.8620 . . 2 . . . C 86 LYS HB2 . 25797 1 900 . 1 1 86 86 LYS HB3 H 1 1.9090 . . 2 . . . C 86 LYS HB3 . 25797 1 901 . 1 1 86 86 LYS HG3 H 1 1.4970 . . 2 . . . C 86 LYS HG3 . 25797 1 902 . 1 1 86 86 LYS HD3 H 1 1.6780 . . 2 . . . C 86 LYS HD3 . 25797 1 903 . 1 1 86 86 LYS HE3 H 1 3.0030 . . 2 . . . C 86 LYS HE3 . 25797 1 904 . 1 1 86 86 LYS CA C 13 56.6080 . . 1 . . . C 86 LYS CA . 25797 1 905 . 1 1 86 86 LYS CB C 13 33.0510 . . 1 . . . C 86 LYS CB . 25797 1 906 . 1 1 86 86 LYS CG C 13 24.4920 . . 1 . . . C 86 LYS CG . 25797 1 907 . 1 1 86 86 LYS CD C 13 29.1880 . . 1 . . . C 86 LYS CD . 25797 1 908 . 1 1 86 86 LYS CE C 13 42.1340 . . 1 . . . C 86 LYS CE . 25797 1 909 . 1 1 86 86 LYS N N 15 120.7400 . . 1 . . . C 86 LYS N . 25797 1 910 . 1 1 87 87 ASP H H 1 8.2610 . . 1 . . . C 87 ASP H . 25797 1 911 . 1 1 87 87 ASP HA H 1 4.6930 . . 1 . . . C 87 ASP HA . 25797 1 912 . 1 1 87 87 ASP HB3 H 1 2.6930 . . 2 . . . C 87 ASP HB3 . 25797 1 913 . 1 1 87 87 ASP CA C 13 54.2990 . . 1 . . . C 87 ASP CA . 25797 1 914 . 1 1 87 87 ASP CB C 13 41.1450 . . 1 . . . C 87 ASP CB . 25797 1 915 . 1 1 87 87 ASP N N 15 121.7370 . . 1 . . . C 87 ASP N . 25797 1 916 . 1 1 88 88 ASP H H 1 8.2710 . . 1 . . . C 88 ASP H . 25797 1 917 . 1 1 88 88 ASP HA H 1 4.6740 . . 1 . . . C 88 ASP HA . 25797 1 918 . 1 1 88 88 ASP HB3 H 1 2.7590 . . 2 . . . C 88 ASP HB3 . 25797 1 919 . 1 1 88 88 ASP CA C 13 54.2310 . . 1 . . . C 88 ASP CA . 25797 1 920 . 1 1 88 88 ASP CB C 13 41.3370 . . 1 . . . C 88 ASP CB . 25797 1 921 . 1 1 88 88 ASP N N 15 121.8520 . . 1 . . . C 88 ASP N . 25797 1 922 . 1 1 89 89 SER H H 1 7.9210 . . 1 . . . C 89 SER H . 25797 1 923 . 1 1 89 89 SER HA H 1 4.2450 . . 1 . . . C 89 SER HA . 25797 1 924 . 1 1 89 89 SER CA C 13 60.2340 . . 1 . . . C 89 SER CA . 25797 1 925 . 1 1 89 89 SER CB C 13 64.8950 . . 1 . . . C 89 SER CB . 25797 1 926 . 1 1 89 89 SER N N 15 121.2770 . . 1 . . . C 89 SER N . 25797 1 stop_ save_