data_36353 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36353 _Entry.Title ; Complex structure of tyrosinated alpha-tubulin carboxy-terminal peptide and A1aY1 binder ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-05 _Entry.Accession_date 2020-08-28 _Entry.Last_release_date 2020-08-28 _Entry.Original_release_date 2020-08-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36353 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Kesarwani S. . . . 36353 2 P. Reddy P. P. . . 36353 3 M. Sirajuddin M. . . . 36353 4 R. Das R. . . . 36353 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Binder . 36353 Microtubule . 36353 'PROTEIN BINDING' . 36353 SSO7d . 36353 Tyrosinated . 36353 'yeast display' . 36353 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36353 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 179 36353 '15N chemical shifts' 57 36353 '1H chemical shifts' 284 36353 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 1 . . 2025-10-13 . original BMRB . 36353 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7C1M . 36353 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36353 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32886100 _Citation.DOI 10.1083/jcb.201912107 _Citation.Full_citation . _Citation.Title ; Genetically encoded live-cell sensor for tyrosinated microtubules. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Cell Biol.' _Citation.Journal_name_full 'The Journal of cell biology' _Citation.Journal_volume 219 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-9525 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2020 _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 Shubham Kesarwani S. . . . 36353 1 2 Prakash Lama P. . . . 36353 1 3 Anchal Chandra A. . . . 36353 1 4 P Reddy P. P. . . 36353 1 5 A Jijumon A. S. . . 36353 1 6 Satish Bodakuntla S. . . . 36353 1 7 Balaji Rao B. M. . . 36353 1 8 Carsten Janke C. . . . 36353 1 9 Ranabir Das R. . . . 36353 1 10 Minhajuddin Sirajuddin M. . . . 36353 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36353 _Assembly.ID 1 _Assembly.Name 'Nanobody binder from SSO7d library, Carboxy-terminal peptide from tyrosinated alpha-tubulin' _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 'not present' _Assembly.Molecular_mass 8842.131 _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 A yes . . . . . . 36353 1 2 entity_2 2 $entity_2 B B yes . . . . . . 36353 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 GLY 1 . A 1 GLY . start no . 36353 1 . 1 1 10 LYS 10 . A 10 LYS . middle . . 36353 1 . 1 1 11 TYR 11 . A 11 TYR . middle . . 36353 1 . 1 1 12 LYS 12 . A 12 LYS . middle . . 36353 1 . 1 1 13 GLY 13 . A 13 GLY . middle no . 36353 1 . 1 1 14 GLU 14 . A 14 GLU . middle . . 36353 1 . 1 1 15 GLU 15 . A 15 GLU . middle . . 36353 1 . 1 1 16 LYS 16 . A 16 LYS . middle . . 36353 1 . 1 1 17 GLN 17 . A 17 GLN . middle . . 36353 1 . 1 1 18 VAL 18 . A 18 VAL . middle . . 36353 1 . 1 1 19 ASP 19 . A 19 ASP . middle . . 36353 1 . 1 1 2 SER 2 . A 2 SER . middle . . 36353 1 . 1 1 20 ILE 20 . A 20 ILE . middle . . 36353 1 . 1 1 21 SER 21 . A 21 SER . middle . . 36353 1 . 1 1 22 LYS 22 . A 22 LYS . middle . . 36353 1 . 1 1 23 ILE 23 . A 23 ILE . middle . . 36353 1 . 1 1 24 LEU 24 . A 24 LEU . middle . . 36353 1 . 1 1 25 SER 25 . A 25 SER . middle . . 36353 1 . 1 1 26 VAL 26 . A 26 VAL . middle . . 36353 1 . 1 1 27 GLY 27 . A 27 GLY . middle no . 36353 1 . 1 1 28 ARG 28 . A 28 ARG . middle . . 36353 1 . 1 1 29 TYR 29 . A 29 TYR . middle . . 36353 1 . 1 1 3 HIS 3 . A 3 HIS . middle . . 36353 1 . 1 1 30 GLY 30 . A 30 GLY . middle no . 36353 1 . 1 1 31 LYS 31 . A 31 LYS . middle . . 36353 1 . 1 1 32 LEU 32 . A 32 LEU . middle . . 36353 1 . 1 1 33 ILE 33 . A 33 ILE . middle . . 36353 1 . 1 1 34 HIS 34 . A 34 HIS . middle . . 36353 1 . 1 1 35 PHE 35 . A 35 PHE . middle . . 36353 1 . 1 1 36 LEU 36 . A 36 LEU . middle . . 36353 1 . 1 1 37 TYR 37 . A 37 TYR . middle . . 36353 1 . 1 1 38 ASP 38 . A 38 ASP . middle . . 36353 1 . 1 1 39 LEU 39 . A 39 LEU . middle . . 36353 1 . 1 1 4 MET 4 . A 4 MET . middle . . 36353 1 . 1 1 40 GLY 40 . A 40 GLY . middle no . 36353 1 . 1 1 41 GLY 41 . A 41 GLY . middle no . 36353 1 . 1 1 42 GLY 42 . A 42 GLY . middle no . 36353 1 . 1 1 43 LYS 43 . A 43 LYS . middle . . 36353 1 . 1 1 44 ALA 44 . A 44 ALA . middle . . 36353 1 . 1 1 45 GLY 45 . A 45 GLY . middle no . 36353 1 . 1 1 46 MET 46 . A 46 MET . middle . . 36353 1 . 1 1 47 GLY 47 . A 47 GLY . middle no . 36353 1 . 1 1 48 MET 48 . A 48 MET . middle . . 36353 1 . 1 1 49 VAL 49 . A 49 VAL . middle . . 36353 1 . 1 1 5 ALA 5 . A 5 ALA . middle . . 36353 1 . 1 1 50 SER 50 . A 50 SER . middle . . 36353 1 . 1 1 51 GLU 51 . A 51 GLU . middle . . 36353 1 . 1 1 52 LYS 52 . A 52 LYS . middle . . 36353 1 . 1 1 53 ASP 53 . A 53 ASP . middle . . 36353 1 . 1 1 54 ALA 54 . A 54 ALA . middle . . 36353 1 . 1 1 55 PRO 55 . A 55 PRO . middle no . 36353 1 . 1 1 56 LYS 56 . A 56 LYS . middle . . 36353 1 . 1 1 57 GLU 57 . A 57 GLU . middle . . 36353 1 . 1 1 58 LEU 58 . A 58 LEU . middle . . 36353 1 . 1 1 59 LEU 59 . A 59 LEU . middle . . 36353 1 . 1 1 6 THR 6 . A 6 THR . middle . . 36353 1 . 1 1 60 GLN 60 . A 60 GLN . middle . . 36353 1 . 1 1 61 MET 61 . A 61 MET . middle . . 36353 1 . 1 1 62 LEU 62 . A 62 LEU . middle . . 36353 1 . 1 1 63 GLU 63 . A 63 GLU . middle . . 36353 1 . 1 1 64 LYS 64 . A 64 LYS . middle . . 36353 1 . 1 1 65 GLN 65 . A 65 GLN . middle . . 36353 1 . 1 1 66 LYS 66 . A 66 LYS . middle . . 36353 1 . 1 1 67 LYS 67 . A 67 LYS . end . . 36353 1 . 1 1 7 VAL 7 . A 7 VAL . middle . . 36353 1 . 1 1 8 LYS 8 . A 8 LYS . middle . . 36353 1 . 1 1 9 PHE 9 . A 9 PHE . middle . . 36353 1 . 2 2 1 VAL 1 . B 1 VAL . start . . 36353 1 . 2 2 10 GLU 10 . B 10 GLU . middle . . 36353 1 . 2 2 11 GLU 11 . B 11 GLU . middle . . 36353 1 . 2 2 12 TYR 12 . B 12 TYR . end . . 36353 1 . 2 2 2 GLU 2 . B 2 GLU . middle . . 36353 1 . 2 2 3 GLY 3 . B 3 GLY . middle no . 36353 1 . 2 2 4 GLU 4 . B 4 GLU . middle . . 36353 1 . 2 2 5 GLY 5 . B 5 GLY . middle no . 36353 1 . 2 2 6 GLU 6 . B 6 GLU . middle . . 36353 1 . 2 2 7 GLU 7 . B 7 GLU . middle . . 36353 1 . 2 2 8 GLU 8 . B 8 GLU . middle . . 36353 1 . 2 2 9 GLY 9 . B 9 GLY . middle no . 36353 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36353 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nanobody binder from SSO7d library' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMATVKFKYKGEEKQVDI SKILSVGRYGKLIHFLYDLG GGKAGMGMVSEKDAPKELLQ MLEKQKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 67 _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 7486.859 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 36353 1 2 2 SER . 36353 1 3 3 HIS . 36353 1 4 4 MET . 36353 1 5 5 ALA . 36353 1 6 6 THR . 36353 1 7 7 VAL . 36353 1 8 8 LYS . 36353 1 9 9 PHE . 36353 1 10 10 LYS . 36353 1 11 11 TYR . 36353 1 12 12 LYS . 36353 1 13 13 GLY . 36353 1 14 14 GLU . 36353 1 15 15 GLU . 36353 1 16 16 LYS . 36353 1 17 17 GLN . 36353 1 18 18 VAL . 36353 1 19 19 ASP . 36353 1 20 20 ILE . 36353 1 21 21 SER . 36353 1 22 22 LYS . 36353 1 23 23 ILE . 36353 1 24 24 LEU . 36353 1 25 25 SER . 36353 1 26 26 VAL . 36353 1 27 27 GLY . 36353 1 28 28 ARG . 36353 1 29 29 TYR . 36353 1 30 30 GLY . 36353 1 31 31 LYS . 36353 1 32 32 LEU . 36353 1 33 33 ILE . 36353 1 34 34 HIS . 36353 1 35 35 PHE . 36353 1 36 36 LEU . 36353 1 37 37 TYR . 36353 1 38 38 ASP . 36353 1 39 39 LEU . 36353 1 40 40 GLY . 36353 1 41 41 GLY . 36353 1 42 42 GLY . 36353 1 43 43 LYS . 36353 1 44 44 ALA . 36353 1 45 45 GLY . 36353 1 46 46 MET . 36353 1 47 47 GLY . 36353 1 48 48 MET . 36353 1 49 49 VAL . 36353 1 50 50 SER . 36353 1 51 51 GLU . 36353 1 52 52 LYS . 36353 1 53 53 ASP . 36353 1 54 54 ALA . 36353 1 55 55 PRO . 36353 1 56 56 LYS . 36353 1 57 57 GLU . 36353 1 58 58 LEU . 36353 1 59 59 LEU . 36353 1 60 60 GLN . 36353 1 61 61 MET . 36353 1 62 62 LEU . 36353 1 63 63 GLU . 36353 1 64 64 LYS . 36353 1 65 65 GLN . 36353 1 66 66 LYS . 36353 1 67 67 LYS . 36353 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 36353 1 . SER 2 2 36353 1 . HIS 3 3 36353 1 . MET 4 4 36353 1 . ALA 5 5 36353 1 . THR 6 6 36353 1 . VAL 7 7 36353 1 . LYS 8 8 36353 1 . PHE 9 9 36353 1 . LYS 10 10 36353 1 . TYR 11 11 36353 1 . LYS 12 12 36353 1 . GLY 13 13 36353 1 . GLU 14 14 36353 1 . GLU 15 15 36353 1 . LYS 16 16 36353 1 . GLN 17 17 36353 1 . VAL 18 18 36353 1 . ASP 19 19 36353 1 . ILE 20 20 36353 1 . SER 21 21 36353 1 . LYS 22 22 36353 1 . ILE 23 23 36353 1 . LEU 24 24 36353 1 . SER 25 25 36353 1 . VAL 26 26 36353 1 . GLY 27 27 36353 1 . ARG 28 28 36353 1 . TYR 29 29 36353 1 . GLY 30 30 36353 1 . LYS 31 31 36353 1 . LEU 32 32 36353 1 . ILE 33 33 36353 1 . HIS 34 34 36353 1 . PHE 35 35 36353 1 . LEU 36 36 36353 1 . TYR 37 37 36353 1 . ASP 38 38 36353 1 . LEU 39 39 36353 1 . GLY 40 40 36353 1 . GLY 41 41 36353 1 . GLY 42 42 36353 1 . LYS 43 43 36353 1 . ALA 44 44 36353 1 . GLY 45 45 36353 1 . MET 46 46 36353 1 . GLY 47 47 36353 1 . MET 48 48 36353 1 . VAL 49 49 36353 1 . SER 50 50 36353 1 . GLU 51 51 36353 1 . LYS 52 52 36353 1 . ASP 53 53 36353 1 . ALA 54 54 36353 1 . PRO 55 55 36353 1 . LYS 56 56 36353 1 . GLU 57 57 36353 1 . LEU 58 58 36353 1 . LEU 59 59 36353 1 . GLN 60 60 36353 1 . MET 61 61 36353 1 . LEU 62 62 36353 1 . GLU 63 63 36353 1 . LYS 64 64 36353 1 . GLN 65 65 36353 1 . LYS 66 66 36353 1 . LYS 67 67 36353 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 36353 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Carboxy-terminal peptide from tyrosinated alpha-tubulin' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VEGEGEEEGEEY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1355.272 _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 VAL . 36353 2 2 2 GLU . 36353 2 3 3 GLY . 36353 2 4 4 GLU . 36353 2 5 5 GLY . 36353 2 6 6 GLU . 36353 2 7 7 GLU . 36353 2 8 8 GLU . 36353 2 9 9 GLY . 36353 2 10 10 GLU . 36353 2 11 11 GLU . 36353 2 12 12 TYR . 36353 2 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 . VAL 1 1 36353 2 . GLU 2 2 36353 2 . GLY 3 3 36353 2 . GLU 4 4 36353 2 . GLY 5 5 36353 2 . GLU 6 6 36353 2 . GLU 7 7 36353 2 . GLU 8 8 36353 2 . GLY 9 9 36353 2 . GLU 10 10 36353 2 . GLU 11 11 36353 2 . TYR 12 12 36353 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 36353 _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 . 555311 organism . 'Saccharolobus solfataricus 98/2' . . Archaea . Thermoproteati Saccharolobus solfataricus . . . . . . . . . . . . . 36353 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 36353 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 36353 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 Escherichia coli . . . . . . . . . . 36353 1 2 2 $entity_2 . 'chemical synthesis' unidentified . . . . . . . . . . . . . . . 36353 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36353 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM unlabeled sodium phosphate, 200 mM unlabeled sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Nanobody binder' . 1 $assembly 1 $entity_1 . protein . . . mM . . . . 36353 1 2 'Nanobody binder' . 1 $assembly 2 $entity_2 . peptide . . . mM . . . . 36353 1 3 'sodium chloride' 'natural abundance' . . . . . salt 200 . . mM . . . . 36353 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 36353 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36353 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36353 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 36353 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 36353 1 pH 6.5 . pH 36353 1 pressure 1 . atm 36353 1 temperature 298 . K 36353 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36353 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36353 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36353 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36353 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36353 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36353 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36353 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36353 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36353 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36353 _Software.ID 4 _Software.Type . _Software.Name CS-ROSETTA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 36353 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36353 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36353 _Software.ID 5 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 36353 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36353 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36353 _Software.ID 6 _Software.Type . _Software.Name HADDOCK _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bonvin . . 36353 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36353 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36353 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36353 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36353 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 36353 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 36353 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36353 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36353 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36353 1 3 '3D HNCO' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36353 1 4 '3D HN(CA)CO' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36353 1 5 '3D HNCACB' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36353 1 6 '2D Filtered NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36353 1 7 '3D HCCH-TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36353 1 8 '3D H(CCO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36353 1 9 '3D C(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36353 1 10 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36353 1 11 '2D Filtered TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36353 1 12 '3D 13C-filtered, 13C-edited NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36353 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 36353 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 36353 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36353 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 36353 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36353 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36353 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36353 1 3 '3D HNCO' 1 $sample_1 isotropic 36353 1 4 '3D HN(CA)CO' 1 $sample_1 isotropic 36353 1 5 '3D HNCACB' 1 $sample_1 isotropic 36353 1 6 '2D Filtered NOESY' 1 $sample_1 isotropic 36353 1 7 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36353 1 8 '3D H(CCO)NH' 1 $sample_1 isotropic 36353 1 9 '3D C(CO)NH' 1 $sample_1 isotropic 36353 1 10 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36353 1 11 '2D Filtered TOCSY' 1 $sample_1 isotropic 36353 1 12 '3D 13C-filtered, 13C-edited NOESY' 1 $sample_1 isotropic 36353 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 HIS HA H 1 4.608 0.00 . 1 . . . . A 3 HIS HA . 36353 1 2 . 1 . 1 3 3 HIS HB2 H 1 3.084 0.00 . 1 . . . . A 3 HIS HB2 . 36353 1 3 . 1 . 1 3 3 HIS CA C 13 56.100 0.04 . 1 . . . . A 3 HIS CA . 36353 1 4 . 1 . 1 3 3 HIS CB C 13 29.625 0.05 . 1 . . . . A 3 HIS CB . 36353 1 5 . 1 . 1 4 4 MET H H 1 8.313 0.00 . 1 . . . . A 4 MET H . 36353 1 6 . 1 . 1 4 4 MET HA H 1 4.433 0.00 . 1 . . . . A 4 MET HA . 36353 1 7 . 1 . 1 4 4 MET HB2 H 1 2.438 0.00 . 1 . . . . A 4 MET HB2 . 36353 1 8 . 1 . 1 4 4 MET HG2 H 1 1.914 0.00 . 1 . . . . A 4 MET HG2 . 36353 1 9 . 1 . 1 4 4 MET CA C 13 55.302 0.09 . 1 . . . . A 4 MET CA . 36353 1 10 . 1 . 1 4 4 MET CB C 13 32.861 0.06 . 1 . . . . A 4 MET CB . 36353 1 11 . 1 . 1 4 4 MET CG C 13 30.907 0.00 . 1 . . . . A 4 MET CG . 36353 1 12 . 1 . 1 4 4 MET N N 15 122.763 0.03 . 1 . . . . A 4 MET N . 36353 1 13 . 1 . 1 5 5 ALA H H 1 8.379 0.00 . 1 . . . . A 5 ALA H . 36353 1 14 . 1 . 1 5 5 ALA HA H 1 4.356 0.00 . 1 . . . . A 5 ALA HA . 36353 1 15 . 1 . 1 5 5 ALA HB1 H 1 1.204 0.00 . 1 . . . . A 5 ALA HB1 . 36353 1 16 . 1 . 1 5 5 ALA HB2 H 1 1.204 0.00 . 1 . . . . A 5 ALA HB2 . 36353 1 17 . 1 . 1 5 5 ALA HB3 H 1 1.204 0.00 . 1 . . . . A 5 ALA HB3 . 36353 1 18 . 1 . 1 5 5 ALA CA C 13 52.536 0.03 . 1 . . . . A 5 ALA CA . 36353 1 19 . 1 . 1 5 5 ALA CB C 13 19.288 0.03 . 1 . . . . A 5 ALA CB . 36353 1 20 . 1 . 1 5 5 ALA N N 15 126.267 0.05 . 1 . . . . A 5 ALA N . 36353 1 21 . 1 . 1 6 6 THR H H 1 8.043 0.00 . 1 . . . . A 6 THR H . 36353 1 22 . 1 . 1 6 6 THR HA H 1 4.743 0.00 . 1 . . . . A 6 THR HA . 36353 1 23 . 1 . 1 6 6 THR HB H 1 3.723 0.00 . 1 . . . . A 6 THR HB . 36353 1 24 . 1 . 1 6 6 THR HG21 H 1 0.946 0.00 . 1 . . . . A 6 THR HG21 . 36353 1 25 . 1 . 1 6 6 THR HG22 H 1 0.946 0.00 . 1 . . . . A 6 THR HG22 . 36353 1 26 . 1 . 1 6 6 THR HG23 H 1 0.946 0.00 . 1 . . . . A 6 THR HG23 . 36353 1 27 . 1 . 1 6 6 THR CA C 13 60.588 0.04 . 1 . . . . A 6 THR CA . 36353 1 28 . 1 . 1 6 6 THR CB C 13 71.692 0.03 . 1 . . . . A 6 THR CB . 36353 1 29 . 1 . 1 6 6 THR CG2 C 13 21.782 0.00 . 1 . . . . A 6 THR CG2 . 36353 1 30 . 1 . 1 6 6 THR N N 15 113.259 0.02 . 1 . . . . A 6 THR N . 36353 1 31 . 1 . 1 7 7 VAL H H 1 8.896 0.00 . 1 . . . . A 7 VAL H . 36353 1 32 . 1 . 1 7 7 VAL HA H 1 4.165 0.00 . 1 . . . . A 7 VAL HA . 36353 1 33 . 1 . 1 7 7 VAL HB H 1 1.649 0.00 . 1 . . . . A 7 VAL HB . 36353 1 34 . 1 . 1 7 7 VAL HG11 H 1 0.520 0.00 . 1 . . . . A 7 VAL HG11 . 36353 1 35 . 1 . 1 7 7 VAL HG12 H 1 0.520 0.00 . 1 . . . . A 7 VAL HG12 . 36353 1 36 . 1 . 1 7 7 VAL HG13 H 1 0.520 0.00 . 1 . . . . A 7 VAL HG13 . 36353 1 37 . 1 . 1 7 7 VAL CA C 13 61.082 0.06 . 1 . . . . A 7 VAL CA . 36353 1 38 . 1 . 1 7 7 VAL CB C 13 33.100 0.10 . 1 . . . . A 7 VAL CB . 36353 1 39 . 1 . 1 7 7 VAL CG1 C 13 21.806 0.00 . 1 . . . . A 7 VAL CG1 . 36353 1 40 . 1 . 1 7 7 VAL CG2 C 13 20.805 0.00 . 1 . . . . A 7 VAL CG2 . 36353 1 41 . 1 . 1 7 7 VAL N N 15 122.059 0.04 . 1 . . . . A 7 VAL N . 36353 1 42 . 1 . 1 8 8 LYS H H 1 8.418 0.00 . 1 . . . . A 8 LYS H . 36353 1 43 . 1 . 1 8 8 LYS HA H 1 5.259 0.00 . 1 . . . . A 8 LYS HA . 36353 1 44 . 1 . 1 8 8 LYS HB2 H 1 1.586 0.00 . 1 . . . . A 8 LYS HB2 . 36353 1 45 . 1 . 1 8 8 LYS HB3 H 1 1.701 0.00 . 1 . . . . A 8 LYS HB3 . 36353 1 46 . 1 . 1 8 8 LYS HG2 H 1 1.323 0.00 . 1 . . . . A 8 LYS HG2 . 36353 1 47 . 1 . 1 8 8 LYS HG3 H 1 1.161 0.00 . 1 . . . . A 8 LYS HG3 . 36353 1 48 . 1 . 1 8 8 LYS HE2 H 1 2.813 0.00 . 1 . . . . A 8 LYS HE2 . 36353 1 49 . 1 . 1 8 8 LYS CA C 13 55.313 0.03 . 1 . . . . A 8 LYS CA . 36353 1 50 . 1 . 1 8 8 LYS CB C 13 33.725 0.12 . 1 . . . . A 8 LYS CB . 36353 1 51 . 1 . 1 8 8 LYS CG C 13 25.121 0.00 . 1 . . . . A 8 LYS CG . 36353 1 52 . 1 . 1 8 8 LYS CD C 13 29.168 0.00 . 1 . . . . A 8 LYS CD . 36353 1 53 . 1 . 1 8 8 LYS CE C 13 41.695 0.00 . 1 . . . . A 8 LYS CE . 36353 1 54 . 1 . 1 8 8 LYS N N 15 128.079 0.03 . 1 . . . . A 8 LYS N . 36353 1 55 . 1 . 1 9 9 PHE H H 1 8.577 0.00 . 1 . . . . A 9 PHE H . 36353 1 56 . 1 . 1 9 9 PHE HA H 1 5.042 0.00 . 1 . . . . A 9 PHE HA . 36353 1 57 . 1 . 1 9 9 PHE HB2 H 1 3.247 0.00 . 1 . . . . A 9 PHE HB2 . 36353 1 58 . 1 . 1 9 9 PHE HB3 H 1 3.069 0.00 . 1 . . . . A 9 PHE HB3 . 36353 1 59 . 1 . 1 9 9 PHE CA C 13 56.008 0.06 . 1 . . . . A 9 PHE CA . 36353 1 60 . 1 . 1 9 9 PHE CB C 13 40.158 0.05 . 1 . . . . A 9 PHE CB . 36353 1 61 . 1 . 1 9 9 PHE N N 15 120.510 0.04 . 1 . . . . A 9 PHE N . 36353 1 62 . 1 . 1 10 10 LYS H H 1 8.783 0.00 . 1 . . . . A 10 LYS H . 36353 1 63 . 1 . 1 10 10 LYS HA H 1 5.049 0.00 . 1 . . . . A 10 LYS HA . 36353 1 64 . 1 . 1 10 10 LYS HB2 H 1 1.621 0.00 . 1 . . . . A 10 LYS HB2 . 36353 1 65 . 1 . 1 10 10 LYS HG2 H 1 1.286 0.00 . 1 . . . . A 10 LYS HG2 . 36353 1 66 . 1 . 1 10 10 LYS HG3 H 1 1.144 0.00 . 1 . . . . A 10 LYS HG3 . 36353 1 67 . 1 . 1 10 10 LYS HE2 H 1 2.856 0.00 . 1 . . . . A 10 LYS HE2 . 36353 1 68 . 1 . 1 10 10 LYS CA C 13 55.182 0.05 . 1 . . . . A 10 LYS CA . 36353 1 69 . 1 . 1 10 10 LYS CB C 13 35.058 0.02 . 1 . . . . A 10 LYS CB . 36353 1 70 . 1 . 1 10 10 LYS CG C 13 25.141 0.00 . 1 . . . . A 10 LYS CG . 36353 1 71 . 1 . 1 10 10 LYS CD C 13 29.151 0.00 . 1 . . . . A 10 LYS CD . 36353 1 72 . 1 . 1 10 10 LYS CE C 13 42.022 0.00 . 1 . . . . A 10 LYS CE . 36353 1 73 . 1 . 1 10 10 LYS N N 15 119.759 0.05 . 1 . . . . A 10 LYS N . 36353 1 74 . 1 . 1 11 11 TYR H H 1 8.741 0.01 . 1 . . . . A 11 TYR H . 36353 1 75 . 1 . 1 11 11 TYR HA H 1 4.790 0.00 . 1 . . . . A 11 TYR HA . 36353 1 76 . 1 . 1 11 11 TYR HB2 H 1 3.106 0.00 . 1 . . . . A 11 TYR HB2 . 36353 1 77 . 1 . 1 11 11 TYR HB3 H 1 2.772 0.00 . 1 . . . . A 11 TYR HB3 . 36353 1 78 . 1 . 1 11 11 TYR CA C 13 58.335 0.07 . 1 . . . . A 11 TYR CA . 36353 1 79 . 1 . 1 11 11 TYR CB C 13 40.057 0.09 . 1 . . . . A 11 TYR CB . 36353 1 80 . 1 . 1 11 11 TYR N N 15 123.781 0.04 . 1 . . . . A 11 TYR N . 36353 1 81 . 1 . 1 12 12 LYS H H 1 9.109 0.00 . 1 . . . . A 12 LYS H . 36353 1 82 . 1 . 1 12 12 LYS HA H 1 3.595 0.00 . 1 . . . . A 12 LYS HA . 36353 1 83 . 1 . 1 12 12 LYS HB2 H 1 1.454 0.00 . 1 . . . . A 12 LYS HB2 . 36353 1 84 . 1 . 1 12 12 LYS HB3 H 1 1.710 0.00 . 1 . . . . A 12 LYS HB3 . 36353 1 85 . 1 . 1 12 12 LYS HG2 H 1 0.739 0.00 . 1 . . . . A 12 LYS HG2 . 36353 1 86 . 1 . 1 12 12 LYS HG3 H 1 0.524 0.00 . 1 . . . . A 12 LYS HG3 . 36353 1 87 . 1 . 1 12 12 LYS CA C 13 57.543 0.09 . 1 . . . . A 12 LYS CA . 36353 1 88 . 1 . 1 12 12 LYS CB C 13 29.745 0.01 . 1 . . . . A 12 LYS CB . 36353 1 89 . 1 . 1 12 12 LYS CG C 13 24.651 0.00 . 1 . . . . A 12 LYS CG . 36353 1 90 . 1 . 1 12 12 LYS CE C 13 41.802 0.00 . 1 . . . . A 12 LYS CE . 36353 1 91 . 1 . 1 12 12 LYS N N 15 128.625 0.03 . 1 . . . . A 12 LYS N . 36353 1 92 . 1 . 1 13 13 GLY H H 1 8.459 0.00 . 1 . . . . A 13 GLY H . 36353 1 93 . 1 . 1 13 13 GLY HA2 H 1 3.535 0.00 . 1 . . . . A 13 GLY HA2 . 36353 1 94 . 1 . 1 13 13 GLY HA3 H 1 4.090 0.00 . 1 . . . . A 13 GLY HA3 . 36353 1 95 . 1 . 1 13 13 GLY CA C 13 45.644 0.04 . 1 . . . . A 13 GLY CA . 36353 1 96 . 1 . 1 13 13 GLY N N 15 104.353 0.05 . 1 . . . . A 13 GLY N . 36353 1 97 . 1 . 1 14 14 GLU H H 1 7.774 0.00 . 1 . . . . A 14 GLU H . 36353 1 98 . 1 . 1 14 14 GLU HA H 1 4.529 0.00 . 1 . . . . A 14 GLU HA . 36353 1 99 . 1 . 1 14 14 GLU HB2 H 1 2.222 0.00 . 1 . . . . A 14 GLU HB2 . 36353 1 100 . 1 . 1 14 14 GLU HG2 H 1 2.039 0.00 . 1 . . . . A 14 GLU HG2 . 36353 1 101 . 1 . 1 14 14 GLU CA C 13 55.009 0.02 . 1 . . . . A 14 GLU CA . 36353 1 102 . 1 . 1 14 14 GLU CB C 13 32.028 0.08 . 1 . . . . A 14 GLU CB . 36353 1 103 . 1 . 1 14 14 GLU CG C 13 36.087 0.00 . 1 . . . . A 14 GLU CG . 36353 1 104 . 1 . 1 14 14 GLU N N 15 120.755 0.03 . 1 . . . . A 14 GLU N . 36353 1 105 . 1 . 1 15 15 GLU H H 1 8.683 0.00 . 1 . . . . A 15 GLU H . 36353 1 106 . 1 . 1 15 15 GLU HA H 1 4.388 0.00 . 1 . . . . A 15 GLU HA . 36353 1 107 . 1 . 1 15 15 GLU HB2 H 1 2.041 0.00 . 1 . . . . A 15 GLU HB2 . 36353 1 108 . 1 . 1 15 15 GLU HG2 H 1 1.911 0.00 . 1 . . . . A 15 GLU HG2 . 36353 1 109 . 1 . 1 15 15 GLU CA C 13 56.993 0.02 . 1 . . . . A 15 GLU CA . 36353 1 110 . 1 . 1 15 15 GLU CB C 13 30.516 0.06 . 1 . . . . A 15 GLU CB . 36353 1 111 . 1 . 1 15 15 GLU CG C 13 36.929 0.00 . 1 . . . . A 15 GLU CG . 36353 1 112 . 1 . 1 15 15 GLU N N 15 124.379 0.04 . 1 . . . . A 15 GLU N . 36353 1 113 . 1 . 1 16 16 LYS H H 1 8.704 0.00 . 1 . . . . A 16 LYS H . 36353 1 114 . 1 . 1 16 16 LYS HA H 1 4.358 0.00 . 1 . . . . A 16 LYS HA . 36353 1 115 . 1 . 1 16 16 LYS HB2 H 1 1.002 0.00 . 1 . . . . A 16 LYS HB2 . 36353 1 116 . 1 . 1 16 16 LYS HG2 H 1 0.368 0.00 . 1 . . . . A 16 LYS HG2 . 36353 1 117 . 1 . 1 16 16 LYS HD2 H 1 1.482 0.00 . 1 . . . . A 16 LYS HD2 . 36353 1 118 . 1 . 1 16 16 LYS HE2 H 1 2.861 0.00 . 1 . . . . A 16 LYS HE2 . 36353 1 119 . 1 . 1 16 16 LYS CA C 13 54.145 0.02 . 1 . . . . A 16 LYS CA . 36353 1 120 . 1 . 1 16 16 LYS CB C 13 35.127 0.02 . 1 . . . . A 16 LYS CB . 36353 1 121 . 1 . 1 16 16 LYS CG C 13 24.382 0.00 . 1 . . . . A 16 LYS CG . 36353 1 122 . 1 . 1 16 16 LYS CD C 13 28.550 0.00 . 1 . . . . A 16 LYS CD . 36353 1 123 . 1 . 1 16 16 LYS CE C 13 42.101 0.00 . 1 . . . . A 16 LYS CE . 36353 1 124 . 1 . 1 16 16 LYS N N 15 126.184 0.05 . 1 . . . . A 16 LYS N . 36353 1 125 . 1 . 1 17 17 GLN H H 1 7.957 0.00 . 1 . . . . A 17 GLN H . 36353 1 126 . 1 . 1 17 17 GLN HA H 1 5.221 0.00 . 1 . . . . A 17 GLN HA . 36353 1 127 . 1 . 1 17 17 GLN HB2 H 1 2.047 0.00 . 1 . . . . A 17 GLN HB2 . 36353 1 128 . 1 . 1 17 17 GLN HG2 H 1 1.746 0.00 . 1 . . . . A 17 GLN HG2 . 36353 1 129 . 1 . 1 17 17 GLN CA C 13 54.698 0.06 . 1 . . . . A 17 GLN CA . 36353 1 130 . 1 . 1 17 17 GLN CB C 13 30.295 0.04 . 1 . . . . A 17 GLN CB . 36353 1 131 . 1 . 1 17 17 GLN CG C 13 33.628 0.00 . 1 . . . . A 17 GLN CG . 36353 1 132 . 1 . 1 17 17 GLN N N 15 118.044 0.05 . 1 . . . . A 17 GLN N . 36353 1 133 . 1 . 1 18 18 VAL H H 1 8.633 0.00 . 1 . . . . A 18 VAL H . 36353 1 134 . 1 . 1 18 18 VAL HA H 1 4.277 0.00 . 1 . . . . A 18 VAL HA . 36353 1 135 . 1 . 1 18 18 VAL HB H 1 1.540 0.00 . 1 . . . . A 18 VAL HB . 36353 1 136 . 1 . 1 18 18 VAL HG21 H 1 0.389 0.00 . 1 . . . . A 18 VAL HG21 . 36353 1 137 . 1 . 1 18 18 VAL HG22 H 1 0.389 0.00 . 1 . . . . A 18 VAL HG22 . 36353 1 138 . 1 . 1 18 18 VAL HG23 H 1 0.389 0.00 . 1 . . . . A 18 VAL HG23 . 36353 1 139 . 1 . 1 18 18 VAL CA C 13 60.208 0.03 . 1 . . . . A 18 VAL CA . 36353 1 140 . 1 . 1 18 18 VAL CB C 13 35.032 1.03 . 1 . . . . A 18 VAL CB . 36353 1 141 . 1 . 1 18 18 VAL CG2 C 13 20.709 0.00 . 1 . . . . A 18 VAL CG2 . 36353 1 142 . 1 . 1 18 18 VAL N N 15 121.699 0.03 . 1 . . . . A 18 VAL N . 36353 1 143 . 1 . 1 19 19 ASP H H 1 8.380 0.00 . 1 . . . . A 19 ASP H . 36353 1 144 . 1 . 1 19 19 ASP HA H 1 4.595 0.00 . 1 . . . . A 19 ASP HA . 36353 1 145 . 1 . 1 19 19 ASP HB2 H 1 2.492 0.00 . 1 . . . . A 19 ASP HB2 . 36353 1 146 . 1 . 1 19 19 ASP CA C 13 54.935 0.06 . 1 . . . . A 19 ASP CA . 36353 1 147 . 1 . 1 19 19 ASP CB C 13 42.159 0.02 . 1 . . . . A 19 ASP CB . 36353 1 148 . 1 . 1 19 19 ASP N N 15 126.723 0.12 . 1 . . . . A 19 ASP N . 36353 1 149 . 1 . 1 20 20 ILE H H 1 8.306 0.00 . 1 . . . . A 20 ILE H . 36353 1 150 . 1 . 1 20 20 ILE HA H 1 3.607 0.00 . 1 . . . . A 20 ILE HA . 36353 1 151 . 1 . 1 20 20 ILE HB H 1 1.614 0.00 . 1 . . . . A 20 ILE HB . 36353 1 152 . 1 . 1 20 20 ILE HG12 H 1 1.049 0.00 . 1 . . . . A 20 ILE HG12 . 36353 1 153 . 1 . 1 20 20 ILE HG13 H 1 1.264 0.00 . 1 . . . . A 20 ILE HG13 . 36353 1 154 . 1 . 1 20 20 ILE HD11 H 1 0.759 0.00 . 1 . . . . A 20 ILE HD11 . 36353 1 155 . 1 . 1 20 20 ILE HD12 H 1 0.759 0.00 . 1 . . . . A 20 ILE HD12 . 36353 1 156 . 1 . 1 20 20 ILE HD13 H 1 0.759 0.00 . 1 . . . . A 20 ILE HD13 . 36353 1 157 . 1 . 1 20 20 ILE CA C 13 62.687 0.03 . 1 . . . . A 20 ILE CA . 36353 1 158 . 1 . 1 20 20 ILE CB C 13 37.471 0.09 . 1 . . . . A 20 ILE CB . 36353 1 159 . 1 . 1 20 20 ILE CG1 C 13 28.421 0.00 . 1 . . . . A 20 ILE CG1 . 36353 1 160 . 1 . 1 20 20 ILE CD1 C 13 13.585 0.00 . 1 . . . . A 20 ILE CD1 . 36353 1 161 . 1 . 1 20 20 ILE N N 15 123.597 0.07 . 1 . . . . A 20 ILE N . 36353 1 162 . 1 . 1 21 21 SER H H 1 8.385 0.00 . 1 . . . . A 21 SER H . 36353 1 163 . 1 . 1 21 21 SER HB2 H 1 3.884 0.00 . 1 . . . . A 21 SER HB2 . 36353 1 164 . 1 . 1 21 21 SER CA C 13 60.836 0.23 . 1 . . . . A 21 SER CA . 36353 1 165 . 1 . 1 21 21 SER CB C 13 62.752 0.08 . 1 . . . . A 21 SER CB . 36353 1 166 . 1 . 1 21 21 SER N N 15 116.407 0.05 . 1 . . . . A 21 SER N . 36353 1 167 . 1 . 1 22 22 LYS H H 1 7.839 0.00 . 1 . . . . A 22 LYS H . 36353 1 168 . 1 . 1 22 22 LYS HA H 1 4.434 0.00 . 1 . . . . A 22 LYS HA . 36353 1 169 . 1 . 1 22 22 LYS HB2 H 1 2.219 0.00 . 1 . . . . A 22 LYS HB2 . 36353 1 170 . 1 . 1 22 22 LYS HB3 H 1 1.944 0.00 . 1 . . . . A 22 LYS HB3 . 36353 1 171 . 1 . 1 22 22 LYS HG2 H 1 1.595 0.00 . 1 . . . . A 22 LYS HG2 . 36353 1 172 . 1 . 1 22 22 LYS HG3 H 1 1.400 0.00 . 1 . . . . A 22 LYS HG3 . 36353 1 173 . 1 . 1 22 22 LYS HE2 H 1 2.937 0.00 . 1 . . . . A 22 LYS HE2 . 36353 1 174 . 1 . 1 22 22 LYS CA C 13 55.232 0.02 . 1 . . . . A 22 LYS CA . 36353 1 175 . 1 . 1 22 22 LYS CB C 13 32.221 0.04 . 1 . . . . A 22 LYS CB . 36353 1 176 . 1 . 1 22 22 LYS CG C 13 25.246 0.00 . 1 . . . . A 22 LYS CG . 36353 1 177 . 1 . 1 22 22 LYS CD C 13 28.463 0.00 . 1 . . . . A 22 LYS CD . 36353 1 178 . 1 . 1 22 22 LYS CE C 13 42.495 0.00 . 1 . . . . A 22 LYS CE . 36353 1 179 . 1 . 1 22 22 LYS N N 15 119.285 0.04 . 1 . . . . A 22 LYS N . 36353 1 180 . 1 . 1 23 23 ILE H H 1 7.341 0.00 . 1 . . . . A 23 ILE H . 36353 1 181 . 1 . 1 23 23 ILE HA H 1 5.360 0.00 . 1 . . . . A 23 ILE HA . 36353 1 182 . 1 . 1 23 23 ILE HB H 1 2.663 0.00 . 1 . . . . A 23 ILE HB . 36353 1 183 . 1 . 1 23 23 ILE HD11 H 1 1.345 0.00 . 1 . . . . A 23 ILE HD11 . 36353 1 184 . 1 . 1 23 23 ILE HD12 H 1 1.345 0.00 . 1 . . . . A 23 ILE HD12 . 36353 1 185 . 1 . 1 23 23 ILE HD13 H 1 1.345 0.00 . 1 . . . . A 23 ILE HD13 . 36353 1 186 . 1 . 1 23 23 ILE CA C 13 60.499 1.15 . 1 . . . . A 23 ILE CA . 36353 1 187 . 1 . 1 23 23 ILE CB C 13 34.540 0.67 . 1 . . . . A 23 ILE CB . 36353 1 188 . 1 . 1 23 23 ILE CD1 C 13 19.210 0.00 . 1 . . . . A 23 ILE CD1 . 36353 1 189 . 1 . 1 23 23 ILE N N 15 119.760 0.05 . 1 . . . . A 23 ILE N . 36353 1 190 . 1 . 1 24 24 LEU H H 1 8.219 0.00 . 1 . . . . A 24 LEU H . 36353 1 191 . 1 . 1 24 24 LEU CA C 13 55.187 0.00 . 1 . . . . A 24 LEU CA . 36353 1 192 . 1 . 1 24 24 LEU CB C 13 41.496 0.00 . 1 . . . . A 24 LEU CB . 36353 1 193 . 1 . 1 24 24 LEU N N 15 115.507 0.10 . 1 . . . . A 24 LEU N . 36353 1 194 . 1 . 1 26 26 VAL HA H 1 5.097 0.00 . 1 . . . . A 26 VAL HA . 36353 1 195 . 1 . 1 26 26 VAL HB H 1 1.706 0.00 . 1 . . . . A 26 VAL HB . 36353 1 196 . 1 . 1 26 26 VAL HG11 H 1 0.777 0.00 . 1 . . . . A 26 VAL HG11 . 36353 1 197 . 1 . 1 26 26 VAL HG12 H 1 0.777 0.00 . 1 . . . . A 26 VAL HG12 . 36353 1 198 . 1 . 1 26 26 VAL HG13 H 1 0.777 0.00 . 1 . . . . A 26 VAL HG13 . 36353 1 199 . 1 . 1 26 26 VAL CA C 13 60.126 0.02 . 1 . . . . A 26 VAL CA . 36353 1 200 . 1 . 1 26 26 VAL CB C 13 35.564 0.02 . 1 . . . . A 26 VAL CB . 36353 1 201 . 1 . 1 26 26 VAL CG1 C 13 21.605 0.00 . 1 . . . . A 26 VAL CG1 . 36353 1 202 . 1 . 1 27 27 GLY H H 1 8.661 0.00 . 1 . . . . A 27 GLY H . 36353 1 203 . 1 . 1 27 27 GLY CA C 13 44.383 0.00 . 1 . . . . A 27 GLY CA . 36353 1 204 . 1 . 1 27 27 GLY N N 15 112.508 0.03 . 1 . . . . A 27 GLY N . 36353 1 205 . 1 . 1 28 28 ARG HA H 1 4.699 0.00 . 1 . . . . A 28 ARG HA . 36353 1 206 . 1 . 1 28 28 ARG HB2 H 1 2.459 0.00 . 1 . . . . A 28 ARG HB2 . 36353 1 207 . 1 . 1 28 28 ARG HB3 H 1 2.117 0.00 . 1 . . . . A 28 ARG HB3 . 36353 1 208 . 1 . 1 28 28 ARG HG2 H 1 1.735 0.00 . 1 . . . . A 28 ARG HG2 . 36353 1 209 . 1 . 1 28 28 ARG HD2 H 1 3.374 0.00 . 1 . . . . A 28 ARG HD2 . 36353 1 210 . 1 . 1 28 28 ARG CA C 13 57.094 1.28 . 1 . . . . A 28 ARG CA . 36353 1 211 . 1 . 1 28 28 ARG CG C 13 27.458 0.00 . 1 . . . . A 28 ARG CG . 36353 1 212 . 1 . 1 28 28 ARG CD C 13 42.637 0.00 . 1 . . . . A 28 ARG CD . 36353 1 213 . 1 . 1 29 29 TYR H H 1 9.062 0.00 . 1 . . . . A 29 TYR H . 36353 1 214 . 1 . 1 29 29 TYR HA H 1 4.651 0.00 . 1 . . . . A 29 TYR HA . 36353 1 215 . 1 . 1 29 29 TYR HB2 H 1 2.734 0.00 . 1 . . . . A 29 TYR HB2 . 36353 1 216 . 1 . 1 29 29 TYR CA C 13 57.635 0.00 . 1 . . . . A 29 TYR CA . 36353 1 217 . 1 . 1 29 29 TYR CB C 13 40.863 0.00 . 1 . . . . A 29 TYR CB . 36353 1 218 . 1 . 1 29 29 TYR N N 15 124.790 0.06 . 1 . . . . A 29 TYR N . 36353 1 219 . 1 . 1 30 30 GLY H H 1 8.766 0.01 . 1 . . . . A 30 GLY H . 36353 1 220 . 1 . 1 30 30 GLY HA2 H 1 4.201 0.00 . 1 . . . . A 30 GLY HA2 . 36353 1 221 . 1 . 1 30 30 GLY HA3 H 1 3.167 0.00 . 1 . . . . A 30 GLY HA3 . 36353 1 222 . 1 . 1 30 30 GLY CA C 13 44.462 0.00 . 1 . . . . A 30 GLY CA . 36353 1 223 . 1 . 1 30 30 GLY N N 15 118.136 0.04 . 1 . . . . A 30 GLY N . 36353 1 224 . 1 . 1 31 31 LYS H H 1 8.487 0.01 . 1 . . . . A 31 LYS H . 36353 1 225 . 1 . 1 31 31 LYS HA H 1 4.289 0.00 . 1 . . . . A 31 LYS HA . 36353 1 226 . 1 . 1 31 31 LYS HB2 H 1 2.158 0.00 . 1 . . . . A 31 LYS HB2 . 36353 1 227 . 1 . 1 31 31 LYS HB3 H 1 1.730 0.00 . 1 . . . . A 31 LYS HB3 . 36353 1 228 . 1 . 1 31 31 LYS HG2 H 1 1.703 0.00 . 1 . . . . A 31 LYS HG2 . 36353 1 229 . 1 . 1 31 31 LYS HG3 H 1 1.385 0.00 . 1 . . . . A 31 LYS HG3 . 36353 1 230 . 1 . 1 31 31 LYS CA C 13 56.315 0.02 . 1 . . . . A 31 LYS CA . 36353 1 231 . 1 . 1 31 31 LYS CB C 13 32.285 0.07 . 1 . . . . A 31 LYS CB . 36353 1 232 . 1 . 1 31 31 LYS CG C 13 24.765 0.00 . 1 . . . . A 31 LYS CG . 36353 1 233 . 1 . 1 31 31 LYS CD C 13 28.877 0.00 . 1 . . . . A 31 LYS CD . 36353 1 234 . 1 . 1 31 31 LYS CE C 13 42.337 0.00 . 1 . . . . A 31 LYS CE . 36353 1 235 . 1 . 1 31 31 LYS N N 15 118.142 0.07 . 1 . . . . A 31 LYS N . 36353 1 236 . 1 . 1 32 32 LEU H H 1 8.255 0.01 . 1 . . . . A 32 LEU H . 36353 1 237 . 1 . 1 32 32 LEU HA H 1 4.696 0.00 . 1 . . . . A 32 LEU HA . 36353 1 238 . 1 . 1 32 32 LEU HB2 H 1 1.928 0.00 . 1 . . . . A 32 LEU HB2 . 36353 1 239 . 1 . 1 32 32 LEU HG H 1 1.681 0.00 . 1 . . . . A 32 LEU HG . 36353 1 240 . 1 . 1 32 32 LEU HD11 H 1 1.471 0.00 . 1 . . . . A 32 LEU HD11 . 36353 1 241 . 1 . 1 32 32 LEU HD12 H 1 1.471 0.00 . 1 . . . . A 32 LEU HD12 . 36353 1 242 . 1 . 1 32 32 LEU HD13 H 1 1.471 0.00 . 1 . . . . A 32 LEU HD13 . 36353 1 243 . 1 . 1 32 32 LEU HD21 H 1 0.886 0.00 . 1 . . . . A 32 LEU HD21 . 36353 1 244 . 1 . 1 32 32 LEU HD22 H 1 0.886 0.00 . 1 . . . . A 32 LEU HD22 . 36353 1 245 . 1 . 1 32 32 LEU HD23 H 1 0.886 0.00 . 1 . . . . A 32 LEU HD23 . 36353 1 246 . 1 . 1 32 32 LEU CA C 13 54.693 0.06 . 1 . . . . A 32 LEU CA . 36353 1 247 . 1 . 1 32 32 LEU CB C 13 44.079 0.11 . 1 . . . . A 32 LEU CB . 36353 1 248 . 1 . 1 32 32 LEU CD1 C 13 24.775 0.00 . 1 . . . . A 32 LEU CD1 . 36353 1 249 . 1 . 1 32 32 LEU CD2 C 13 23.682 0.00 . 1 . . . . A 32 LEU CD2 . 36353 1 250 . 1 . 1 32 32 LEU N N 15 121.351 0.07 . 1 . . . . A 32 LEU N . 36353 1 251 . 1 . 1 33 33 ILE H H 1 8.983 0.01 . 1 . . . . A 33 ILE H . 36353 1 252 . 1 . 1 33 33 ILE CA C 13 59.965 0.00 . 1 . . . . A 33 ILE CA . 36353 1 253 . 1 . 1 33 33 ILE CB C 13 38.062 0.00 . 1 . . . . A 33 ILE CB . 36353 1 254 . 1 . 1 33 33 ILE N N 15 124.278 0.06 . 1 . . . . A 33 ILE N . 36353 1 255 . 1 . 1 34 34 HIS H H 1 8.484 0.00 . 1 . . . . A 34 HIS H . 36353 1 256 . 1 . 1 34 34 HIS HA H 1 3.826 0.00 . 1 . . . . A 34 HIS HA . 36353 1 257 . 1 . 1 34 34 HIS HB2 H 1 1.652 0.00 . 1 . . . . A 34 HIS HB2 . 36353 1 258 . 1 . 1 34 34 HIS CA C 13 55.287 0.08 . 1 . . . . A 34 HIS CA . 36353 1 259 . 1 . 1 34 34 HIS CB C 13 34.037 0.10 . 1 . . . . A 34 HIS CB . 36353 1 260 . 1 . 1 34 34 HIS N N 15 118.165 0.04 . 1 . . . . A 34 HIS N . 36353 1 261 . 1 . 1 35 35 PHE H H 1 9.106 0.01 . 1 . . . . A 35 PHE H . 36353 1 262 . 1 . 1 35 35 PHE N N 15 126.244 0.11 . 1 . . . . A 35 PHE N . 36353 1 263 . 1 . 1 36 36 LEU HA H 1 5.362 0.00 . 1 . . . . A 36 LEU HA . 36353 1 264 . 1 . 1 36 36 LEU HG H 1 0.823 0.00 . 1 . . . . A 36 LEU HG . 36353 1 265 . 1 . 1 36 36 LEU HD11 H 1 0.541 0.00 . 1 . . . . A 36 LEU HD11 . 36353 1 266 . 1 . 1 36 36 LEU HD12 H 1 0.541 0.00 . 1 . . . . A 36 LEU HD12 . 36353 1 267 . 1 . 1 36 36 LEU HD13 H 1 0.541 0.00 . 1 . . . . A 36 LEU HD13 . 36353 1 268 . 1 . 1 36 36 LEU HD21 H 1 1.036 0.00 . 1 . . . . A 36 LEU HD21 . 36353 1 269 . 1 . 1 36 36 LEU HD22 H 1 1.036 0.00 . 1 . . . . A 36 LEU HD22 . 36353 1 270 . 1 . 1 36 36 LEU HD23 H 1 1.036 0.00 . 1 . . . . A 36 LEU HD23 . 36353 1 271 . 1 . 1 36 36 LEU CA C 13 52.104 0.11 . 1 . . . . A 36 LEU CA . 36353 1 272 . 1 . 1 36 36 LEU CB C 13 45.957 0.04 . 1 . . . . A 36 LEU CB . 36353 1 273 . 1 . 1 36 36 LEU CD1 C 13 24.724 0.00 . 1 . . . . A 36 LEU CD1 . 36353 1 274 . 1 . 1 36 36 LEU CD2 C 13 25.915 0.00 . 1 . . . . A 36 LEU CD2 . 36353 1 275 . 1 . 1 37 37 TYR H H 1 9.030 0.01 . 1 . . . . A 37 TYR H . 36353 1 276 . 1 . 1 37 37 TYR HA H 1 5.370 0.00 . 1 . . . . A 37 TYR HA . 36353 1 277 . 1 . 1 37 37 TYR HB2 H 1 2.572 0.00 . 1 . . . . A 37 TYR HB2 . 36353 1 278 . 1 . 1 37 37 TYR CA C 13 55.249 0.11 . 1 . . . . A 37 TYR CA . 36353 1 279 . 1 . 1 37 37 TYR CB C 13 42.503 0.03 . 1 . . . . A 37 TYR CB . 36353 1 280 . 1 . 1 37 37 TYR N N 15 120.507 0.07 . 1 . . . . A 37 TYR N . 36353 1 281 . 1 . 1 38 38 ASP H H 1 8.769 0.00 . 1 . . . . A 38 ASP H . 36353 1 282 . 1 . 1 38 38 ASP HA H 1 4.400 0.00 . 1 . . . . A 38 ASP HA . 36353 1 283 . 1 . 1 38 38 ASP HB2 H 1 2.839 0.00 . 1 . . . . A 38 ASP HB2 . 36353 1 284 . 1 . 1 38 38 ASP HB3 H 1 2.475 0.00 . 1 . . . . A 38 ASP HB3 . 36353 1 285 . 1 . 1 38 38 ASP CA C 13 54.744 0.05 . 1 . . . . A 38 ASP CA . 36353 1 286 . 1 . 1 38 38 ASP CB C 13 42.059 0.05 . 1 . . . . A 38 ASP CB . 36353 1 287 . 1 . 1 38 38 ASP N N 15 120.493 0.05 . 1 . . . . A 38 ASP N . 36353 1 288 . 1 . 1 39 39 LEU H H 1 8.434 0.00 . 1 . . . . A 39 LEU H . 36353 1 289 . 1 . 1 39 39 LEU HA H 1 4.293 0.00 . 1 . . . . A 39 LEU HA . 36353 1 290 . 1 . 1 39 39 LEU HB2 H 1 1.506 0.00 . 1 . . . . A 39 LEU HB2 . 36353 1 291 . 1 . 1 39 39 LEU HB3 H 1 1.288 0.00 . 1 . . . . A 39 LEU HB3 . 36353 1 292 . 1 . 1 39 39 LEU HD11 H 1 0.584 0.00 . 1 . . . . A 39 LEU HD11 . 36353 1 293 . 1 . 1 39 39 LEU HD12 H 1 0.584 0.00 . 1 . . . . A 39 LEU HD12 . 36353 1 294 . 1 . 1 39 39 LEU HD13 H 1 0.584 0.00 . 1 . . . . A 39 LEU HD13 . 36353 1 295 . 1 . 1 39 39 LEU HD21 H 1 0.807 0.00 . 1 . . . . A 39 LEU HD21 . 36353 1 296 . 1 . 1 39 39 LEU HD22 H 1 0.807 0.00 . 1 . . . . A 39 LEU HD22 . 36353 1 297 . 1 . 1 39 39 LEU HD23 H 1 0.807 0.00 . 1 . . . . A 39 LEU HD23 . 36353 1 298 . 1 . 1 39 39 LEU CA C 13 55.281 0.02 . 1 . . . . A 39 LEU CA . 36353 1 299 . 1 . 1 39 39 LEU CB C 13 43.788 0.01 . 1 . . . . A 39 LEU CB . 36353 1 300 . 1 . 1 39 39 LEU CG C 13 26.831 0.00 . 1 . . . . A 39 LEU CG . 36353 1 301 . 1 . 1 39 39 LEU CD1 C 13 25.380 0.00 . 1 . . . . A 39 LEU CD1 . 36353 1 302 . 1 . 1 39 39 LEU CD2 C 13 24.262 0.00 . 1 . . . . A 39 LEU CD2 . 36353 1 303 . 1 . 1 39 39 LEU N N 15 127.413 0.04 . 1 . . . . A 39 LEU N . 36353 1 304 . 1 . 1 40 40 GLY H H 1 8.570 0.00 . 1 . . . . A 40 GLY H . 36353 1 305 . 1 . 1 40 40 GLY HA2 H 1 4.389 0.00 . 1 . . . . A 40 GLY HA2 . 36353 1 306 . 1 . 1 40 40 GLY HA3 H 1 3.718 0.00 . 1 . . . . A 40 GLY HA3 . 36353 1 307 . 1 . 1 40 40 GLY CA C 13 44.420 0.05 . 1 . . . . A 40 GLY CA . 36353 1 308 . 1 . 1 40 40 GLY N N 15 110.803 0.04 . 1 . . . . A 40 GLY N . 36353 1 309 . 1 . 1 41 41 GLY H H 1 8.800 0.00 . 1 . . . . A 41 GLY H . 36353 1 310 . 1 . 1 41 41 GLY HA2 H 1 3.821 0.00 . 1 . . . . A 41 GLY HA2 . 36353 1 311 . 1 . 1 41 41 GLY CA C 13 46.687 0.06 . 1 . . . . A 41 GLY CA . 36353 1 312 . 1 . 1 41 41 GLY N N 15 110.947 0.04 . 1 . . . . A 41 GLY N . 36353 1 313 . 1 . 1 42 42 GLY H H 1 9.110 0.00 . 1 . . . . A 42 GLY H . 36353 1 314 . 1 . 1 42 42 GLY HA2 H 1 3.583 0.00 . 1 . . . . A 42 GLY HA2 . 36353 1 315 . 1 . 1 42 42 GLY HA3 H 1 4.094 0.00 . 1 . . . . A 42 GLY HA3 . 36353 1 316 . 1 . 1 42 42 GLY CA C 13 45.415 0.07 . 1 . . . . A 42 GLY CA . 36353 1 317 . 1 . 1 42 42 GLY N N 15 108.200 0.02 . 1 . . . . A 42 GLY N . 36353 1 318 . 1 . 1 43 43 LYS H H 1 7.289 0.00 . 1 . . . . A 43 LYS H . 36353 1 319 . 1 . 1 43 43 LYS HA H 1 4.399 0.00 . 1 . . . . A 43 LYS HA . 36353 1 320 . 1 . 1 43 43 LYS HB2 H 1 1.345 0.00 . 1 . . . . A 43 LYS HB2 . 36353 1 321 . 1 . 1 43 43 LYS HB3 H 1 1.712 0.00 . 1 . . . . A 43 LYS HB3 . 36353 1 322 . 1 . 1 43 43 LYS HG2 H 1 1.617 0.00 . 1 . . . . A 43 LYS HG2 . 36353 1 323 . 1 . 1 43 43 LYS HE2 H 1 2.923 0.00 . 1 . . . . A 43 LYS HE2 . 36353 1 324 . 1 . 1 43 43 LYS CA C 13 55.546 0.01 . 1 . . . . A 43 LYS CA . 36353 1 325 . 1 . 1 43 43 LYS CB C 13 32.835 . . 1 . . . . A 43 LYS CB . 36353 1 326 . 1 . 1 43 43 LYS N N 15 120.756 0.03 . 1 . . . . A 43 LYS N . 36353 1 327 . 1 . 1 44 44 ALA H H 1 8.251 0.00 . 1 . . . . A 44 ALA H . 36353 1 328 . 1 . 1 44 44 ALA HA H 1 4.957 0.00 . 1 . . . . A 44 ALA HA . 36353 1 329 . 1 . 1 44 44 ALA HB1 H 1 1.037 0.00 . 1 . . . . A 44 ALA HB1 . 36353 1 330 . 1 . 1 44 44 ALA HB2 H 1 1.037 0.00 . 1 . . . . A 44 ALA HB2 . 36353 1 331 . 1 . 1 44 44 ALA HB3 H 1 1.037 0.00 . 1 . . . . A 44 ALA HB3 . 36353 1 332 . 1 . 1 44 44 ALA CA C 13 50.902 0.05 . 1 . . . . A 44 ALA CA . 36353 1 333 . 1 . 1 44 44 ALA CB C 13 19.593 0.04 . 1 . . . . A 44 ALA CB . 36353 1 334 . 1 . 1 44 44 ALA N N 15 124.971 0.06 . 1 . . . . A 44 ALA N . 36353 1 335 . 1 . 1 45 45 GLY H H 1 8.429 0.00 . 1 . . . . A 45 GLY H . 36353 1 336 . 1 . 1 45 45 GLY HA2 H 1 4.231 0.00 . 1 . . . . A 45 GLY HA2 . 36353 1 337 . 1 . 1 45 45 GLY HA3 H 1 2.550 0.00 . 1 . . . . A 45 GLY HA3 . 36353 1 338 . 1 . 1 45 45 GLY CA C 13 43.045 0.10 . 1 . . . . A 45 GLY CA . 36353 1 339 . 1 . 1 45 45 GLY N N 15 108.596 0.02 . 1 . . . . A 45 GLY N . 36353 1 340 . 1 . 1 46 46 MET H H 1 7.899 0.00 . 1 . . . . A 46 MET H . 36353 1 341 . 1 . 1 46 46 MET CA C 13 54.464 0.00 . 1 . . . . A 46 MET CA . 36353 1 342 . 1 . 1 46 46 MET CB C 13 36.097 0.00 . 1 . . . . A 46 MET CB . 36353 1 343 . 1 . 1 46 46 MET N N 15 117.067 0.05 . 1 . . . . A 46 MET N . 36353 1 344 . 1 . 1 47 47 GLY CA C 13 45.355 0.00 . 1 . . . . A 47 GLY CA . 36353 1 345 . 1 . 1 48 48 MET H H 1 6.857 0.00 . 1 . . . . A 48 MET H . 36353 1 346 . 1 . 1 48 48 MET HA H 1 5.247 0.00 . 1 . . . . A 48 MET HA . 36353 1 347 . 1 . 1 48 48 MET HB2 H 1 2.262 0.00 . 1 . . . . A 48 MET HB2 . 36353 1 348 . 1 . 1 48 48 MET HG2 H 1 1.856 0.00 . 1 . . . . A 48 MET HG2 . 36353 1 349 . 1 . 1 48 48 MET CA C 13 54.661 0.03 . 1 . . . . A 48 MET CA . 36353 1 350 . 1 . 1 48 48 MET CB C 13 36.654 0.00 . 1 . . . . A 48 MET CB . 36353 1 351 . 1 . 1 48 48 MET CG C 13 32.066 0.00 . 1 . . . . A 48 MET CG . 36353 1 352 . 1 . 1 48 48 MET N N 15 113.714 0.03 . 1 . . . . A 48 MET N . 36353 1 353 . 1 . 1 49 49 VAL H H 1 9.181 0.00 . 1 . . . . A 49 VAL H . 36353 1 354 . 1 . 1 49 49 VAL HA H 1 4.692 0.00 . 1 . . . . A 49 VAL HA . 36353 1 355 . 1 . 1 49 49 VAL HB H 1 2.158 0.00 . 1 . . . . A 49 VAL HB . 36353 1 356 . 1 . 1 49 49 VAL HG11 H 1 1.047 0.00 . 1 . . . . A 49 VAL HG11 . 36353 1 357 . 1 . 1 49 49 VAL HG12 H 1 1.047 0.00 . 1 . . . . A 49 VAL HG12 . 36353 1 358 . 1 . 1 49 49 VAL HG13 H 1 1.047 0.00 . 1 . . . . A 49 VAL HG13 . 36353 1 359 . 1 . 1 49 49 VAL HG21 H 1 0.873 0.00 . 1 . . . . A 49 VAL HG21 . 36353 1 360 . 1 . 1 49 49 VAL HG22 H 1 0.873 0.00 . 1 . . . . A 49 VAL HG22 . 36353 1 361 . 1 . 1 49 49 VAL HG23 H 1 0.873 0.00 . 1 . . . . A 49 VAL HG23 . 36353 1 362 . 1 . 1 49 49 VAL CA C 13 59.996 0.03 . 1 . . . . A 49 VAL CA . 36353 1 363 . 1 . 1 49 49 VAL CB C 13 36.068 0.05 . 1 . . . . A 49 VAL CB . 36353 1 364 . 1 . 1 49 49 VAL CG1 C 13 20.987 0.00 . 1 . . . . A 49 VAL CG1 . 36353 1 365 . 1 . 1 49 49 VAL N N 15 118.650 0.04 . 1 . . . . A 49 VAL N . 36353 1 366 . 1 . 1 50 50 SER H H 1 8.910 0.00 . 1 . . . . A 50 SER H . 36353 1 367 . 1 . 1 50 50 SER HB2 H 1 4.001 0.00 . 1 . . . . A 50 SER HB2 . 36353 1 368 . 1 . 1 50 50 SER CA C 13 58.659 0.06 . 1 . . . . A 50 SER CA . 36353 1 369 . 1 . 1 50 50 SER CB C 13 63.732 0.08 . 1 . . . . A 50 SER CB . 36353 1 370 . 1 . 1 50 50 SER N N 15 120.575 0.05 . 1 . . . . A 50 SER N . 36353 1 371 . 1 . 1 51 51 GLU H H 1 9.040 0.01 . 1 . . . . A 51 GLU H . 36353 1 372 . 1 . 1 51 51 GLU HA H 1 3.731 0.00 . 1 . . . . A 51 GLU HA . 36353 1 373 . 1 . 1 51 51 GLU HB2 H 1 1.998 0.00 . 1 . . . . A 51 GLU HB2 . 36353 1 374 . 1 . 1 51 51 GLU HG2 H 1 2.128 0.00 . 1 . . . . A 51 GLU HG2 . 36353 1 375 . 1 . 1 51 51 GLU CA C 13 60.646 0.06 . 1 . . . . A 51 GLU CA . 36353 1 376 . 1 . 1 51 51 GLU CB C 13 31.221 2.84 . 1 . . . . A 51 GLU CB . 36353 1 377 . 1 . 1 51 51 GLU CG C 13 35.649 0.00 . 1 . . . . A 51 GLU CG . 36353 1 378 . 1 . 1 51 51 GLU N N 15 124.921 0.05 . 1 . . . . A 51 GLU N . 36353 1 379 . 1 . 1 52 52 LYS H H 1 8.329 0.00 . 1 . . . . A 52 LYS H . 36353 1 380 . 1 . 1 52 52 LYS HA H 1 4.087 0.00 . 1 . . . . A 52 LYS HA . 36353 1 381 . 1 . 1 52 52 LYS HB2 H 1 1.349 0.00 . 1 . . . . A 52 LYS HB2 . 36353 1 382 . 1 . 1 52 52 LYS HB3 H 1 1.782 0.00 . 1 . . . . A 52 LYS HB3 . 36353 1 383 . 1 . 1 52 52 LYS HG2 H 1 1.627 0.00 . 1 . . . . A 52 LYS HG2 . 36353 1 384 . 1 . 1 52 52 LYS HE2 H 1 2.957 0.00 . 1 . . . . A 52 LYS HE2 . 36353 1 385 . 1 . 1 52 52 LYS CA C 13 58.579 0.02 . 1 . . . . A 52 LYS CA . 36353 1 386 . 1 . 1 52 52 LYS CB C 13 33.721 . . 1 . . . . A 52 LYS CB . 36353 1 387 . 1 . 1 52 52 LYS CG C 13 24.018 0.00 . 1 . . . . A 52 LYS CG . 36353 1 388 . 1 . 1 52 52 LYS CD C 13 29.048 0.00 . 1 . . . . A 52 LYS CD . 36353 1 389 . 1 . 1 52 52 LYS N N 15 116.517 0.04 . 1 . . . . A 52 LYS N . 36353 1 390 . 1 . 1 53 53 ASP H H 1 7.566 0.00 . 1 . . . . A 53 ASP H . 36353 1 391 . 1 . 1 53 53 ASP HA H 1 4.805 0.00 . 1 . . . . A 53 ASP HA . 36353 1 392 . 1 . 1 53 53 ASP HB2 H 1 2.960 0.00 . 1 . . . . A 53 ASP HB2 . 36353 1 393 . 1 . 1 53 53 ASP HB3 H 1 2.574 0.00 . 1 . . . . A 53 ASP HB3 . 36353 1 394 . 1 . 1 53 53 ASP CA C 13 54.217 0.01 . 1 . . . . A 53 ASP CA . 36353 1 395 . 1 . 1 53 53 ASP CB C 13 42.202 0.03 . 1 . . . . A 53 ASP CB . 36353 1 396 . 1 . 1 53 53 ASP N N 15 117.214 0.07 . 1 . . . . A 53 ASP N . 36353 1 397 . 1 . 1 54 54 ALA H H 1 7.501 0.00 . 1 . . . . A 54 ALA H . 36353 1 398 . 1 . 1 54 54 ALA CA C 13 50.068 0.00 . 1 . . . . A 54 ALA CA . 36353 1 399 . 1 . 1 54 54 ALA CB C 13 18.758 0.00 . 1 . . . . A 54 ALA CB . 36353 1 400 . 1 . 1 54 54 ALA N N 15 124.852 0.04 . 1 . . . . A 54 ALA N . 36353 1 401 . 1 . 1 56 56 LYS HA H 1 3.809 0.00 . 1 . . . . A 56 LYS HA . 36353 1 402 . 1 . 1 56 56 LYS HB2 H 1 1.348 0.00 . 1 . . . . A 56 LYS HB2 . 36353 1 403 . 1 . 1 56 56 LYS HB3 H 1 1.814 0.00 . 1 . . . . A 56 LYS HB3 . 36353 1 404 . 1 . 1 56 56 LYS HG2 H 1 1.670 0.00 . 1 . . . . A 56 LYS HG2 . 36353 1 405 . 1 . 1 56 56 LYS HE2 H 1 2.902 0.00 . 1 . . . . A 56 LYS HE2 . 36353 1 406 . 1 . 1 56 56 LYS CA C 13 58.679 0.08 . 1 . . . . A 56 LYS CA . 36353 1 407 . 1 . 1 56 56 LYS CB C 13 31.597 0.06 . 1 . . . . A 56 LYS CB . 36353 1 408 . 1 . 1 56 56 LYS CG C 13 24.341 0.00 . 1 . . . . A 56 LYS CG . 36353 1 409 . 1 . 1 56 56 LYS CD C 13 29.004 0.00 . 1 . . . . A 56 LYS CD . 36353 1 410 . 1 . 1 56 56 LYS CE C 13 41.770 0.00 . 1 . . . . A 56 LYS CE . 36353 1 411 . 1 . 1 57 57 GLU H H 1 9.943 0.00 . 1 . . . . A 57 GLU H . 36353 1 412 . 1 . 1 57 57 GLU HA H 1 3.838 0.00 . 1 . . . . A 57 GLU HA . 36353 1 413 . 1 . 1 57 57 GLU HB2 H 1 1.743 0.00 . 1 . . . . A 57 GLU HB2 . 36353 1 414 . 1 . 1 57 57 GLU CA C 13 61.033 0.03 . 1 . . . . A 57 GLU CA . 36353 1 415 . 1 . 1 57 57 GLU CB C 13 29.047 0.06 . 1 . . . . A 57 GLU CB . 36353 1 416 . 1 . 1 57 57 GLU CG C 13 37.417 0.00 . 1 . . . . A 57 GLU CG . 36353 1 417 . 1 . 1 57 57 GLU N N 15 117.573 0.04 . 1 . . . . A 57 GLU N . 36353 1 418 . 1 . 1 58 58 LEU H H 1 7.336 0.00 . 1 . . . . A 58 LEU H . 36353 1 419 . 1 . 1 58 58 LEU HA H 1 4.099 0.00 . 1 . . . . A 58 LEU HA . 36353 1 420 . 1 . 1 58 58 LEU HB2 H 1 1.807 0.00 . 1 . . . . A 58 LEU HB2 . 36353 1 421 . 1 . 1 58 58 LEU HG H 1 1.335 0.00 . 1 . . . . A 58 LEU HG . 36353 1 422 . 1 . 1 58 58 LEU HD11 H 1 0.932 0.00 . 1 . . . . A 58 LEU HD11 . 36353 1 423 . 1 . 1 58 58 LEU HD12 H 1 0.932 0.00 . 1 . . . . A 58 LEU HD12 . 36353 1 424 . 1 . 1 58 58 LEU HD13 H 1 0.932 0.00 . 1 . . . . A 58 LEU HD13 . 36353 1 425 . 1 . 1 58 58 LEU HD21 H 1 0.535 0.00 . 1 . . . . A 58 LEU HD21 . 36353 1 426 . 1 . 1 58 58 LEU HD22 H 1 0.535 0.00 . 1 . . . . A 58 LEU HD22 . 36353 1 427 . 1 . 1 58 58 LEU HD23 H 1 0.535 0.00 . 1 . . . . A 58 LEU HD23 . 36353 1 428 . 1 . 1 58 58 LEU CA C 13 56.983 0.03 . 1 . . . . A 58 LEU CA . 36353 1 429 . 1 . 1 58 58 LEU CB C 13 42.837 0.04 . 1 . . . . A 58 LEU CB . 36353 1 430 . 1 . 1 58 58 LEU CG C 13 24.247 0.00 . 1 . . . . A 58 LEU CG . 36353 1 431 . 1 . 1 58 58 LEU CD1 C 13 26.374 0.00 . 1 . . . . A 58 LEU CD1 . 36353 1 432 . 1 . 1 58 58 LEU N N 15 118.068 0.06 . 1 . . . . A 58 LEU N . 36353 1 433 . 1 . 1 59 59 LEU H H 1 7.102 0.00 . 1 . . . . A 59 LEU H . 36353 1 434 . 1 . 1 59 59 LEU HA H 1 3.842 0.00 . 1 . . . . A 59 LEU HA . 36353 1 435 . 1 . 1 59 59 LEU HB2 H 1 1.833 0.00 . 1 . . . . A 59 LEU HB2 . 36353 1 436 . 1 . 1 59 59 LEU HB3 H 1 1.477 0.00 . 1 . . . . A 59 LEU HB3 . 36353 1 437 . 1 . 1 59 59 LEU HG H 1 1.664 0.00 . 1 . . . . A 59 LEU HG . 36353 1 438 . 1 . 1 59 59 LEU HD11 H 1 0.843 0.00 . 1 . . . . A 59 LEU HD11 . 36353 1 439 . 1 . 1 59 59 LEU HD12 H 1 0.843 0.00 . 1 . . . . A 59 LEU HD12 . 36353 1 440 . 1 . 1 59 59 LEU HD13 H 1 0.843 0.00 . 1 . . . . A 59 LEU HD13 . 36353 1 441 . 1 . 1 59 59 LEU HD21 H 1 0.677 0.00 . 1 . . . . A 59 LEU HD21 . 36353 1 442 . 1 . 1 59 59 LEU HD22 H 1 0.677 0.00 . 1 . . . . A 59 LEU HD22 . 36353 1 443 . 1 . 1 59 59 LEU HD23 H 1 0.677 0.00 . 1 . . . . A 59 LEU HD23 . 36353 1 444 . 1 . 1 59 59 LEU CA C 13 57.935 0.05 . 1 . . . . A 59 LEU CA . 36353 1 445 . 1 . 1 59 59 LEU CB C 13 40.009 0.02 . 1 . . . . A 59 LEU CB . 36353 1 446 . 1 . 1 59 59 LEU CG C 13 29.714 0.00 . 1 . . . . A 59 LEU CG . 36353 1 447 . 1 . 1 59 59 LEU CD1 C 13 26.782 0.00 . 1 . . . . A 59 LEU CD1 . 36353 1 448 . 1 . 1 59 59 LEU CD2 C 13 25.461 0.00 . 1 . . . . A 59 LEU CD2 . 36353 1 449 . 1 . 1 59 59 LEU N N 15 117.708 0.06 . 1 . . . . A 59 LEU N . 36353 1 450 . 1 . 1 60 60 GLN H H 1 8.250 0.01 . 1 . . . . A 60 GLN H . 36353 1 451 . 1 . 1 60 60 GLN HA H 1 3.959 0.00 . 1 . . . . A 60 GLN HA . 36353 1 452 . 1 . 1 60 60 GLN HB2 H 1 1.967 0.00 . 1 . . . . A 60 GLN HB2 . 36353 1 453 . 1 . 1 60 60 GLN HG2 H 1 2.375 0.00 . 1 . . . . A 60 GLN HG2 . 36353 1 454 . 1 . 1 60 60 GLN CA C 13 58.597 0.05 . 1 . . . . A 60 GLN CA . 36353 1 455 . 1 . 1 60 60 GLN CB C 13 28.132 0.08 . 1 . . . . A 60 GLN CB . 36353 1 456 . 1 . 1 60 60 GLN CG C 13 34.042 0.00 . 1 . . . . A 60 GLN CG . 36353 1 457 . 1 . 1 60 60 GLN N N 15 117.971 0.06 . 1 . . . . A 60 GLN N . 36353 1 458 . 1 . 1 61 61 MET H H 1 7.282 0.00 . 1 . . . . A 61 MET H . 36353 1 459 . 1 . 1 61 61 MET HA H 1 3.994 0.00 . 1 . . . . A 61 MET HA . 36353 1 460 . 1 . 1 61 61 MET HB2 H 1 2.375 0.00 . 1 . . . . A 61 MET HB2 . 36353 1 461 . 1 . 1 61 61 MET HG2 H 1 2.771 0.00 . 1 . . . . A 61 MET HG2 . 36353 1 462 . 1 . 1 61 61 MET CA C 13 58.918 0.03 . 1 . . . . A 61 MET CA . 36353 1 463 . 1 . 1 61 61 MET CB C 13 32.709 0.13 . 1 . . . . A 61 MET CB . 36353 1 464 . 1 . 1 61 61 MET N N 15 117.877 0.08 . 1 . . . . A 61 MET N . 36353 1 465 . 1 . 1 62 62 LEU H H 1 7.257 0.01 . 1 . . . . A 62 LEU H . 36353 1 466 . 1 . 1 62 62 LEU HA H 1 3.989 0.00 . 1 . . . . A 62 LEU HA . 36353 1 467 . 1 . 1 62 62 LEU HB2 H 1 1.736 0.00 . 1 . . . . A 62 LEU HB2 . 36353 1 468 . 1 . 1 62 62 LEU HB3 H 1 1.553 0.00 . 1 . . . . A 62 LEU HB3 . 36353 1 469 . 1 . 1 62 62 LEU HD11 H 1 0.741 0.00 . 1 . . . . A 62 LEU HD11 . 36353 1 470 . 1 . 1 62 62 LEU HD12 H 1 0.741 0.00 . 1 . . . . A 62 LEU HD12 . 36353 1 471 . 1 . 1 62 62 LEU HD13 H 1 0.741 0.00 . 1 . . . . A 62 LEU HD13 . 36353 1 472 . 1 . 1 62 62 LEU CA C 13 56.895 0.05 . 1 . . . . A 62 LEU CA . 36353 1 473 . 1 . 1 62 62 LEU CB C 13 42.127 0.02 . 1 . . . . A 62 LEU CB . 36353 1 474 . 1 . 1 62 62 LEU CG C 13 24.169 0.00 . 1 . . . . A 62 LEU CG . 36353 1 475 . 1 . 1 62 62 LEU CD1 C 13 26.965 0.00 . 1 . . . . A 62 LEU CD1 . 36353 1 476 . 1 . 1 62 62 LEU CD2 C 13 25.598 0.00 . 1 . . . . A 62 LEU CD2 . 36353 1 477 . 1 . 1 62 62 LEU N N 15 118.189 0.04 . 1 . . . . A 62 LEU N . 36353 1 478 . 1 . 1 63 63 GLU H H 1 7.589 0.00 . 1 . . . . A 63 GLU H . 36353 1 479 . 1 . 1 63 63 GLU HA H 1 4.096 0.00 . 1 . . . . A 63 GLU HA . 36353 1 480 . 1 . 1 63 63 GLU HB2 H 1 2.267 0.00 . 1 . . . . A 63 GLU HB2 . 36353 1 481 . 1 . 1 63 63 GLU HG2 H 1 1.977 0.00 . 1 . . . . A 63 GLU HG2 . 36353 1 482 . 1 . 1 63 63 GLU CA C 13 57.620 0.10 . 1 . . . . A 63 GLU CA . 36353 1 483 . 1 . 1 63 63 GLU CB C 13 29.658 0.04 . 1 . . . . A 63 GLU CB . 36353 1 484 . 1 . 1 63 63 GLU CG C 13 35.828 0.00 . 1 . . . . A 63 GLU CG . 36353 1 485 . 1 . 1 63 63 GLU N N 15 118.843 0.05 . 1 . . . . A 63 GLU N . 36353 1 486 . 1 . 1 64 64 LYS H H 1 7.863 0.00 . 1 . . . . A 64 LYS H . 36353 1 487 . 1 . 1 64 64 LYS HA H 1 4.184 0.00 . 1 . . . . A 64 LYS HA . 36353 1 488 . 1 . 1 64 64 LYS HB2 H 1 1.810 0.00 . 1 . . . . A 64 LYS HB2 . 36353 1 489 . 1 . 1 64 64 LYS HG2 H 1 1.445 0.00 . 1 . . . . A 64 LYS HG2 . 36353 1 490 . 1 . 1 64 64 LYS HE2 H 1 2.950 0.00 . 1 . . . . A 64 LYS HE2 . 36353 1 491 . 1 . 1 64 64 LYS CA C 13 57.326 0.01 . 1 . . . . A 64 LYS CA . 36353 1 492 . 1 . 1 64 64 LYS CB C 13 32.501 0.06 . 1 . . . . A 64 LYS CB . 36353 1 493 . 1 . 1 64 64 LYS CG C 13 24.808 0.00 . 1 . . . . A 64 LYS CG . 36353 1 494 . 1 . 1 64 64 LYS CD C 13 28.984 0.00 . 1 . . . . A 64 LYS CD . 36353 1 495 . 1 . 1 64 64 LYS CE C 13 41.806 0.00 . 1 . . . . A 64 LYS CE . 36353 1 496 . 1 . 1 64 64 LYS N N 15 119.719 0.06 . 1 . . . . A 64 LYS N . 36353 1 497 . 1 . 1 65 65 GLN H H 1 7.917 0.00 . 1 . . . . A 65 GLN H . 36353 1 498 . 1 . 1 65 65 GLN HA H 1 4.266 0.00 . 1 . . . . A 65 GLN HA . 36353 1 499 . 1 . 1 65 65 GLN HB2 H 1 2.410 0.00 . 1 . . . . A 65 GLN HB2 . 36353 1 500 . 1 . 1 65 65 GLN HG2 H 1 2.141 0.00 . 1 . . . . A 65 GLN HG2 . 36353 1 501 . 1 . 1 65 65 GLN HG3 H 1 1.972 0.00 . 1 . . . . A 65 GLN HG3 . 36353 1 502 . 1 . 1 65 65 GLN CA C 13 56.208 0.10 . 1 . . . . A 65 GLN CA . 36353 1 503 . 1 . 1 65 65 GLN CB C 13 29.089 0.05 . 1 . . . . A 65 GLN CB . 36353 1 504 . 1 . 1 65 65 GLN CG C 13 33.776 0.00 . 1 . . . . A 65 GLN CG . 36353 1 505 . 1 . 1 65 65 GLN N N 15 119.512 0.05 . 1 . . . . A 65 GLN N . 36353 1 506 . 1 . 1 66 66 LYS H H 1 8.067 0.00 . 1 . . . . A 66 LYS H . 36353 1 507 . 1 . 1 66 66 LYS HA H 1 4.311 0.06 . 1 . . . . A 66 LYS HA . 36353 1 508 . 1 . 1 66 66 LYS HB2 H 1 1.804 0.00 . 1 . . . . A 66 LYS HB2 . 36353 1 509 . 1 . 1 66 66 LYS HG2 H 1 1.406 0.00 . 1 . . . . A 66 LYS HG2 . 36353 1 510 . 1 . 1 66 66 LYS HE2 H 1 2.949 0.00 . 1 . . . . A 66 LYS HE2 . 36353 1 511 . 1 . 1 66 66 LYS CA C 13 56.923 0.05 . 1 . . . . A 66 LYS CA . 36353 1 512 . 1 . 1 66 66 LYS CB C 13 32.398 0.11 . 1 . . . . A 66 LYS CB . 36353 1 513 . 1 . 1 66 66 LYS CG C 13 24.625 0.00 . 1 . . . . A 66 LYS CG . 36353 1 514 . 1 . 1 66 66 LYS CD C 13 29.080 0.00 . 1 . . . . A 66 LYS CD . 36353 1 515 . 1 . 1 66 66 LYS CE C 13 42.006 0.00 . 1 . . . . A 66 LYS CE . 36353 1 516 . 1 . 1 66 66 LYS N N 15 122.408 0.02 . 1 . . . . A 66 LYS N . 36353 1 517 . 1 . 1 67 67 LYS H H 1 7.924 0.01 . 1 . . . . A 67 LYS H . 36353 1 518 . 1 . 1 67 67 LYS CA C 13 57.922 0.00 . 1 . . . . A 67 LYS CA . 36353 1 519 . 1 . 1 67 67 LYS CB C 13 33.548 0.00 . 1 . . . . A 67 LYS CB . 36353 1 520 . 1 . 1 67 67 LYS N N 15 127.935 0.05 . 1 . . . . A 67 LYS N . 36353 1 stop_ save_