data_36786 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36786 _Entry.Title ; Solution structure of N-terminal domain of mouse HBS1L protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-09-09 _Entry.Accession_date 2025-09-09 _Entry.Last_release_date 2026-03-03 _Entry.Original_release_date 2026-03-03 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 F. He F. . . . 36786 2 N. Hayami N. . . . 36786 3 T. Terada T. . . . 36786 4 M. Inoue M. . . . 36786 5 T. Yabuki T. . . . 36786 6 M. Aoki M. . . . 36786 7 E. Seki E. . . . 36786 8 T. Matsuda T. . . . 36786 9 H. Hirota H. . . . 36786 10 M. Yoshida M. . . . 36786 11 Y. Matsuo Y. . . . 36786 12 Y. Hayashizaki Y. . . . 36786 13 M. Takahashi M. . . . 36786 14 K. Tsuda K. . . . 36786 15 T. Nagata T. . . . 36786 16 A. Tanaka A. . . . 36786 17 N. Kobayashi N. . . . 36786 18 T. Kigawa T. . . . 36786 19 P. Guntert P. . . . 36786 20 M. Shirouzu M. . . . 36786 21 S. Yokoyama S. . . . 36786 22 Y. Muto Y. . . . 36786 23 K. Kuwasako K. . . . 36786 24 RIKEN 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . . . . 36786 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'RIKEN Structural Genomics/Proteomics Initiative' RSGI 36786 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'HBS1L Ribosome ribosome quality control trigger complex' . 36786 PSI-2 . 36786 'Protein Structure Initiative' . 36786 'RIKEN Structural Genomics/Proteomics Initiative' . 36786 RSGI . 36786 'Structural Genomics' . 36786 TRANSLATION . 36786 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36786 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 331 36786 '15N chemical shifts' 80 36786 '1H chemical shifts' 532 36786 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 . . 2026-05-07 . original BMRB . 36786 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9WPR 'BMRB Entry Tracking System' 36786 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36786 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of mouse HBS1L/SKI7-specific UBA domain in complex with ubiquitin: Implications for stalled ribosome recognition. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Plos One' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 2026 _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 F. He F. . . . 36786 1 2 N. Nameki N. . . . 36786 1 3 Y. Muto Y. . . . 36786 1 4 M. Takahashi M. . . . 36786 1 5 K. Tsuda K. . . . 36786 1 6 T. Nagata T. . . . 36786 1 7 A. Tanaka A. . . . 36786 1 8 N. Kobayashi N. . . . 36786 1 9 T. Kigawa T. . . . 36786 1 10 P. Guntert P. . . . 36786 1 11 M. Shirouzu M. . . . 36786 1 12 S. Yokoyama S. . . . 36786 1 13 K. Kuwasako K. . . . 36786 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36786 _Assembly.ID 1 _Assembly.Name 'HBS1-like protein (E.C.3.6.5.-)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 8975.762 _Assembly.Enzyme_commission_number 3.6.5.- _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 . . . . . . 36786 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 . 36786 1 . 1 1 10 GLY 10 . A 10 GLY . middle no . 36786 1 . 1 1 11 TYR 11 . A 11 TYR . middle . . 36786 1 . 1 1 12 GLU 12 . A 12 GLU . middle . . 36786 1 . 1 1 13 ASP 13 . A 13 ASP . middle . . 36786 1 . 1 1 14 LEU 14 . A 14 LEU . middle . . 36786 1 . 1 1 15 ARG 15 . A 15 ARG . middle . . 36786 1 . 1 1 16 GLU 16 . A 16 GLU . middle . . 36786 1 . 1 1 17 SER 17 . A 17 SER . middle . . 36786 1 . 1 1 18 SER 18 . A 18 SER . middle . . 36786 1 . 1 1 19 ASN 19 . A 19 ASN . middle . . 36786 1 . 1 1 2 SER 2 . A 2 SER . middle . . 36786 1 . 1 1 20 SER 20 . A 20 SER . middle . . 36786 1 . 1 1 21 LEU 21 . A 21 LEU . middle . . 36786 1 . 1 1 22 LEU 22 . A 22 LEU . middle . . 36786 1 . 1 1 23 ASN 23 . A 23 ASN . middle . . 36786 1 . 1 1 24 HIS 24 . A 24 HIS . middle . . 36786 1 . 1 1 25 GLN 25 . A 25 GLN . middle . . 36786 1 . 1 1 26 LEU 26 . A 26 LEU . middle . . 36786 1 . 1 1 27 SER 27 . A 27 SER . middle . . 36786 1 . 1 1 28 GLU 28 . A 28 GLU . middle . . 36786 1 . 1 1 29 ILE 29 . A 29 ILE . middle . . 36786 1 . 1 1 3 SER 3 . A 3 SER . middle . . 36786 1 . 1 1 30 ASP 30 . A 30 ASP . middle . . 36786 1 . 1 1 31 GLN 31 . A 31 GLN . middle . . 36786 1 . 1 1 32 ALA 32 . A 32 ALA . middle . . 36786 1 . 1 1 33 ARG 33 . A 33 ARG . middle . . 36786 1 . 1 1 34 LEU 34 . A 34 LEU . middle . . 36786 1 . 1 1 35 TYR 35 . A 35 TYR . middle . . 36786 1 . 1 1 36 SER 36 . A 36 SER . middle . . 36786 1 . 1 1 37 CYS 37 . A 37 CYS . middle . . 36786 1 . 1 1 38 LEU 38 . A 38 LEU . middle . . 36786 1 . 1 1 39 ASP 39 . A 39 ASP . middle . . 36786 1 . 1 1 4 GLY 4 . A 4 GLY . middle no . 36786 1 . 1 1 40 HIS 40 . A 40 HIS . middle . . 36786 1 . 1 1 41 MET 41 . A 41 MET . middle . . 36786 1 . 1 1 42 ARG 42 . A 42 ARG . middle . . 36786 1 . 1 1 43 GLU 43 . A 43 GLU . middle . . 36786 1 . 1 1 44 VAL 44 . A 44 VAL . middle . . 36786 1 . 1 1 45 LEU 45 . A 45 LEU . middle . . 36786 1 . 1 1 46 GLY 46 . A 46 GLY . middle no . 36786 1 . 1 1 47 ASP 47 . A 47 ASP . middle . . 36786 1 . 1 1 48 ALA 48 . A 48 ALA . middle . . 36786 1 . 1 1 49 VAL 49 . A 49 VAL . middle . . 36786 1 . 1 1 5 SER 5 . A 5 SER . middle . . 36786 1 . 1 1 50 PRO 50 . A 50 PRO . middle no . 36786 1 . 1 1 51 ASP 51 . A 51 ASP . middle . . 36786 1 . 1 1 52 ASP 52 . A 52 ASP . middle . . 36786 1 . 1 1 53 ILE 53 . A 53 ILE . middle . . 36786 1 . 1 1 54 LEU 54 . A 54 LEU . middle . . 36786 1 . 1 1 55 THR 55 . A 55 THR . middle . . 36786 1 . 1 1 56 GLU 56 . A 56 GLU . middle . . 36786 1 . 1 1 57 ALA 57 . A 57 ALA . middle . . 36786 1 . 1 1 58 ILE 58 . A 58 ILE . middle . . 36786 1 . 1 1 59 LEU 59 . A 59 LEU . middle . . 36786 1 . 1 1 6 SER 6 . A 6 SER . middle . . 36786 1 . 1 1 60 LYS 60 . A 60 LYS . middle . . 36786 1 . 1 1 61 HIS 61 . A 61 HIS . middle . . 36786 1 . 1 1 62 LYS 62 . A 62 LYS . middle . . 36786 1 . 1 1 63 PHE 63 . A 63 PHE . middle . . 36786 1 . 1 1 64 ASP 64 . A 64 ASP . middle . . 36786 1 . 1 1 65 VAL 65 . A 65 VAL . middle . . 36786 1 . 1 1 66 GLN 66 . A 66 GLN . middle . . 36786 1 . 1 1 67 LYS 67 . A 67 LYS . middle . . 36786 1 . 1 1 68 ALA 68 . A 68 ALA . middle . . 36786 1 . 1 1 69 LEU 69 . A 69 LEU . middle . . 36786 1 . 1 1 7 GLY 7 . A 7 GLY . middle no . 36786 1 . 1 1 70 SER 70 . A 70 SER . middle . . 36786 1 . 1 1 71 VAL 71 . A 71 VAL . middle . . 36786 1 . 1 1 72 VAL 72 . A 72 VAL . middle . . 36786 1 . 1 1 73 LEU 73 . A 73 LEU . middle . . 36786 1 . 1 1 74 GLU 74 . A 74 GLU . middle . . 36786 1 . 1 1 75 GLN 75 . A 75 GLN . middle . . 36786 1 . 1 1 76 ASP 76 . A 76 ASP . middle . . 36786 1 . 1 1 77 GLY 77 . A 77 GLY . middle no . 36786 1 . 1 1 78 SER 78 . A 78 SER . middle . . 36786 1 . 1 1 79 GLY 79 . A 79 GLY . middle no . 36786 1 . 1 1 8 GLU 8 . A 8 GLU . middle . . 36786 1 . 1 1 80 PRO 80 . A 80 PRO . middle no . 36786 1 . 1 1 81 SER 81 . A 81 SER . middle . . 36786 1 . 1 1 82 SER 82 . A 82 SER . middle . . 36786 1 . 1 1 83 GLY 83 . A 83 GLY . end no . 36786 1 . 1 1 9 TYR 9 . A 9 TYR . middle . . 36786 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36786 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HBS1-like protein' _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 ; GSSGSSGEYGYEDLRESSNS LLNHQLSEIDQARLYSCLDH MREVLGDAVPDDILTEAILK HKFDVQKALSVVLEQDGSGP SSG ; _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.6.5.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8975.762 _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 . 36786 1 2 2 SER . 36786 1 3 3 SER . 36786 1 4 4 GLY . 36786 1 5 5 SER . 36786 1 6 6 SER . 36786 1 7 7 GLY . 36786 1 8 8 GLU . 36786 1 9 9 TYR . 36786 1 10 10 GLY . 36786 1 11 11 TYR . 36786 1 12 12 GLU . 36786 1 13 13 ASP . 36786 1 14 14 LEU . 36786 1 15 15 ARG . 36786 1 16 16 GLU . 36786 1 17 17 SER . 36786 1 18 18 SER . 36786 1 19 19 ASN . 36786 1 20 20 SER . 36786 1 21 21 LEU . 36786 1 22 22 LEU . 36786 1 23 23 ASN . 36786 1 24 24 HIS . 36786 1 25 25 GLN . 36786 1 26 26 LEU . 36786 1 27 27 SER . 36786 1 28 28 GLU . 36786 1 29 29 ILE . 36786 1 30 30 ASP . 36786 1 31 31 GLN . 36786 1 32 32 ALA . 36786 1 33 33 ARG . 36786 1 34 34 LEU . 36786 1 35 35 TYR . 36786 1 36 36 SER . 36786 1 37 37 CYS . 36786 1 38 38 LEU . 36786 1 39 39 ASP . 36786 1 40 40 HIS . 36786 1 41 41 MET . 36786 1 42 42 ARG . 36786 1 43 43 GLU . 36786 1 44 44 VAL . 36786 1 45 45 LEU . 36786 1 46 46 GLY . 36786 1 47 47 ASP . 36786 1 48 48 ALA . 36786 1 49 49 VAL . 36786 1 50 50 PRO . 36786 1 51 51 ASP . 36786 1 52 52 ASP . 36786 1 53 53 ILE . 36786 1 54 54 LEU . 36786 1 55 55 THR . 36786 1 56 56 GLU . 36786 1 57 57 ALA . 36786 1 58 58 ILE . 36786 1 59 59 LEU . 36786 1 60 60 LYS . 36786 1 61 61 HIS . 36786 1 62 62 LYS . 36786 1 63 63 PHE . 36786 1 64 64 ASP . 36786 1 65 65 VAL . 36786 1 66 66 GLN . 36786 1 67 67 LYS . 36786 1 68 68 ALA . 36786 1 69 69 LEU . 36786 1 70 70 SER . 36786 1 71 71 VAL . 36786 1 72 72 VAL . 36786 1 73 73 LEU . 36786 1 74 74 GLU . 36786 1 75 75 GLN . 36786 1 76 76 ASP . 36786 1 77 77 GLY . 36786 1 78 78 SER . 36786 1 79 79 GLY . 36786 1 80 80 PRO . 36786 1 81 81 SER . 36786 1 82 82 SER . 36786 1 83 83 GLY . 36786 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 36786 1 . SER 2 2 36786 1 . SER 3 3 36786 1 . GLY 4 4 36786 1 . SER 5 5 36786 1 . SER 6 6 36786 1 . GLY 7 7 36786 1 . GLU 8 8 36786 1 . TYR 9 9 36786 1 . GLY 10 10 36786 1 . TYR 11 11 36786 1 . GLU 12 12 36786 1 . ASP 13 13 36786 1 . LEU 14 14 36786 1 . ARG 15 15 36786 1 . GLU 16 16 36786 1 . SER 17 17 36786 1 . SER 18 18 36786 1 . ASN 19 19 36786 1 . SER 20 20 36786 1 . LEU 21 21 36786 1 . LEU 22 22 36786 1 . ASN 23 23 36786 1 . HIS 24 24 36786 1 . GLN 25 25 36786 1 . LEU 26 26 36786 1 . SER 27 27 36786 1 . GLU 28 28 36786 1 . ILE 29 29 36786 1 . ASP 30 30 36786 1 . GLN 31 31 36786 1 . ALA 32 32 36786 1 . ARG 33 33 36786 1 . LEU 34 34 36786 1 . TYR 35 35 36786 1 . SER 36 36 36786 1 . CYS 37 37 36786 1 . LEU 38 38 36786 1 . ASP 39 39 36786 1 . HIS 40 40 36786 1 . MET 41 41 36786 1 . ARG 42 42 36786 1 . GLU 43 43 36786 1 . VAL 44 44 36786 1 . LEU 45 45 36786 1 . GLY 46 46 36786 1 . ASP 47 47 36786 1 . ALA 48 48 36786 1 . VAL 49 49 36786 1 . PRO 50 50 36786 1 . ASP 51 51 36786 1 . ASP 52 52 36786 1 . ILE 53 53 36786 1 . LEU 54 54 36786 1 . THR 55 55 36786 1 . GLU 56 56 36786 1 . ALA 57 57 36786 1 . ILE 58 58 36786 1 . LEU 59 59 36786 1 . LYS 60 60 36786 1 . HIS 61 61 36786 1 . LYS 62 62 36786 1 . PHE 63 63 36786 1 . ASP 64 64 36786 1 . VAL 65 65 36786 1 . GLN 66 66 36786 1 . LYS 67 67 36786 1 . ALA 68 68 36786 1 . LEU 69 69 36786 1 . SER 70 70 36786 1 . VAL 71 71 36786 1 . VAL 72 72 36786 1 . LEU 73 73 36786 1 . GLU 74 74 36786 1 . GLN 75 75 36786 1 . ASP 76 76 36786 1 . GLY 77 77 36786 1 . SER 78 78 36786 1 . GLY 79 79 36786 1 . PRO 80 80 36786 1 . SER 81 81 36786 1 . SER 82 82 36786 1 . GLY 83 83 36786 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36786 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . . Metazoa Mus musculus . . . . . . . . . . . 'Hbs1l, Hbs1, Kiaa1038' . 36786 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 36786 _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' 'Cell-free gateway cloning vector N-term 8xHis pCellFree_G01' . . 1508209 . 'Cell-free gateway cloning vector N-term 8xHis pCellFree_G01' . . . . . . . . . . 36786 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36786 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.0 mM [U-99% 13C; U-99% 15N] mouse HBS1L N-terminal domain, 100 mM NaCl, 20 mM potassium phosphate, 0.02 % NaN3, 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 'mouse HBS1L N-terminal domain' '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . protein 1.0 . . mM . . . . 36786 1 2 NaN3 'natural abundance' . . . . . cytocide 0.02 . . % . . . . 36786 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 36786 1 4 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36786 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36786 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36786 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 36786 _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' 120 . mM 36786 1 pH 6.0 . pH 36786 1 pressure 1 . atm 36786 1 temperature 298 . K 36786 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36786 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version 24 _Software.DOI . _Software.Details 'simulated annealing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 36786 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36786 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36786 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details 'Torsion angle dynamics' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36786 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36786 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36786 _Software.ID 3 _Software.Type . _Software.Name KUJIRA _Software.Version 0.863 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'N. Kobayashi, T. Kigawa, S. Yokoyama' . . 36786 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36786 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36786 _Software.ID 4 _Software.Type . _Software.Name NMRView _Software.Version 5.0.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36786 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36786 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36786 _Software.ID 5 _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' . . 36786 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36786 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36786 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 36786 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 36786 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 36786 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Assignment (CBCACONH etc)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 36786 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details '13C,15N-edited NOESY' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 36786 _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 . 600 . . . 36786 1 2 NMR_spectrometer_2 Bruker AVANCE . 800 . . . 36786 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 36786 _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 3D_13C,15N-SEPARATED_NOESY . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36786 1 2 '3D CBCA(CO)NH, 3D HNCCB' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36786 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36786 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.821ppm at 298K) and then those of 15N and 13C were calculated based on their gyro-magnetic ratios. ; 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 0.251449530 . . . . . 36786 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36786 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36786 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_HBS1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode HBS1 _Assigned_chem_shift_list.Entry_ID 36786 _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 $chem_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 3D_13C,15N-SEPARATED_NOESY 1 $sample_1 isotropic 36786 1 2 '3D CBCA(CO)NH, 3D HNCCB' 1 $sample_1 isotropic 36786 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 36786 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 SER HA H 1 4.467 0.030 . 1 . . . . A 3 SER HA . 36786 1 2 . 1 . 1 3 3 SER HB2 H 1 3.877 0.030 . 1 . . . . A 3 SER HB2 . 36786 1 3 . 1 . 1 3 3 SER HB3 H 1 3.877 0.030 . 1 . . . . A 3 SER HB3 . 36786 1 4 . 1 . 1 3 3 SER CA C 13 58.485 0.300 . 1 . . . . A 3 SER CA . 36786 1 5 . 1 . 1 3 3 SER CB C 13 63.966 0.300 . 1 . . . . A 3 SER CB . 36786 1 6 . 1 . 1 4 4 GLY H H 1 8.030 0.030 . 1 . . . . A 4 GLY H . 36786 1 7 . 1 . 1 4 4 GLY HA2 H 1 3.768 0.030 . 1 . . . . A 4 GLY HA2 . 36786 1 8 . 1 . 1 4 4 GLY HA3 H 1 3.768 0.030 . 1 . . . . A 4 GLY HA3 . 36786 1 9 . 1 . 1 4 4 GLY C C 13 178.978 0.300 . 1 . . . . A 4 GLY C . 36786 1 10 . 1 . 1 4 4 GLY CA C 13 46.215 0.300 . 1 . . . . A 4 GLY CA . 36786 1 11 . 1 . 1 4 4 GLY N N 15 116.866 0.300 . 1 . . . . A 4 GLY N . 36786 1 12 . 1 . 1 6 6 SER HA H 1 4.484 0.030 . 1 . . . . A 6 SER HA . 36786 1 13 . 1 . 1 6 6 SER HB2 H 1 3.880 0.030 . 1 . . . . A 6 SER HB2 . 36786 1 14 . 1 . 1 6 6 SER HB3 H 1 3.880 0.030 . 1 . . . . A 6 SER HB3 . 36786 1 15 . 1 . 1 6 6 SER CA C 13 58.597 0.300 . 1 . . . . A 6 SER CA . 36786 1 16 . 1 . 1 6 6 SER CB C 13 63.940 0.300 . 1 . . . . A 6 SER CB . 36786 1 17 . 1 . 1 7 7 GLY H H 1 8.324 0.030 . 1 . . . . A 7 GLY H . 36786 1 18 . 1 . 1 7 7 GLY HA2 H 1 3.900 0.030 . 1 . . . . A 7 GLY HA2 . 36786 1 19 . 1 . 1 7 7 GLY HA3 H 1 3.900 0.030 . 1 . . . . A 7 GLY HA3 . 36786 1 20 . 1 . 1 7 7 GLY C C 13 174.055 0.300 . 1 . . . . A 7 GLY C . 36786 1 21 . 1 . 1 7 7 GLY CA C 13 45.335 0.300 . 1 . . . . A 7 GLY CA . 36786 1 22 . 1 . 1 7 7 GLY N N 15 110.693 0.300 . 1 . . . . A 7 GLY N . 36786 1 23 . 1 . 1 8 8 GLU H H 1 8.184 0.030 . 1 . . . . A 8 GLU H . 36786 1 24 . 1 . 1 8 8 GLU HA H 1 4.172 0.030 . 1 . . . . A 8 GLU HA . 36786 1 25 . 1 . 1 8 8 GLU HB2 H 1 1.861 0.030 . 2 . . . . A 8 GLU HB2 . 36786 1 26 . 1 . 1 8 8 GLU HB3 H 1 1.776 0.030 . 2 . . . . A 8 GLU HB3 . 36786 1 27 . 1 . 1 8 8 GLU HG2 H 1 2.151 0.030 . 1 . . . . A 8 GLU HG2 . 36786 1 28 . 1 . 1 8 8 GLU HG3 H 1 2.151 0.030 . 1 . . . . A 8 GLU HG3 . 36786 1 29 . 1 . 1 8 8 GLU C C 13 176.198 0.300 . 1 . . . . A 8 GLU C . 36786 1 30 . 1 . 1 8 8 GLU CA C 13 56.484 0.300 . 1 . . . . A 8 GLU CA . 36786 1 31 . 1 . 1 8 8 GLU CB C 13 30.403 0.300 . 1 . . . . A 8 GLU CB . 36786 1 32 . 1 . 1 8 8 GLU CG C 13 36.710 0.300 . 1 . . . . A 8 GLU CG . 36786 1 33 . 1 . 1 8 8 GLU N N 15 120.576 0.300 . 1 . . . . A 8 GLU N . 36786 1 34 . 1 . 1 9 9 TYR H H 1 8.245 0.030 . 1 . . . . A 9 TYR H . 36786 1 35 . 1 . 1 9 9 TYR HA H 1 4.519 0.030 . 1 . . . . A 9 TYR HA . 36786 1 36 . 1 . 1 9 9 TYR HB2 H 1 2.843 0.030 . 2 . . . . A 9 TYR HB2 . 36786 1 37 . 1 . 1 9 9 TYR HB3 H 1 3.020 0.030 . 2 . . . . A 9 TYR HB3 . 36786 1 38 . 1 . 1 9 9 TYR HD1 H 1 7.064 0.030 . 1 . . . . A 9 TYR HD1 . 36786 1 39 . 1 . 1 9 9 TYR HD2 H 1 7.064 0.030 . 1 . . . . A 9 TYR HD2 . 36786 1 40 . 1 . 1 9 9 TYR HE1 H 1 6.792 0.030 . 1 . . . . A 9 TYR HE1 . 36786 1 41 . 1 . 1 9 9 TYR HE2 H 1 6.792 0.030 . 1 . . . . A 9 TYR HE2 . 36786 1 42 . 1 . 1 9 9 TYR C C 13 176.198 0.300 . 1 . . . . A 9 TYR C . 36786 1 43 . 1 . 1 9 9 TYR CA C 13 57.930 0.300 . 1 . . . . A 9 TYR CA . 36786 1 44 . 1 . 1 9 9 TYR CB C 13 38.732 0.300 . 1 . . . . A 9 TYR CB . 36786 1 45 . 1 . 1 9 9 TYR CD1 C 13 133.133 0.300 . 1 . . . . A 9 TYR CD1 . 36786 1 46 . 1 . 1 9 9 TYR CD2 C 13 133.133 0.300 . 1 . . . . A 9 TYR CD2 . 36786 1 47 . 1 . 1 9 9 TYR CE1 C 13 118.133 0.300 . 1 . . . . A 9 TYR CE1 . 36786 1 48 . 1 . 1 9 9 TYR CE2 C 13 118.133 0.300 . 1 . . . . A 9 TYR CE2 . 36786 1 49 . 1 . 1 9 9 TYR N N 15 120.685 0.300 . 1 . . . . A 9 TYR N . 36786 1 50 . 1 . 1 10 10 GLY H H 1 8.278 0.030 . 1 . . . . A 10 GLY H . 36786 1 51 . 1 . 1 10 10 GLY HA2 H 1 3.829 0.030 . 1 . . . . A 10 GLY HA2 . 36786 1 52 . 1 . 1 10 10 GLY HA3 H 1 3.829 0.030 . 1 . . . . A 10 GLY HA3 . 36786 1 53 . 1 . 1 10 10 GLY C C 13 173.847 0.300 . 1 . . . . A 10 GLY C . 36786 1 54 . 1 . 1 10 10 GLY CA C 13 45.220 0.300 . 1 . . . . A 10 GLY CA . 36786 1 55 . 1 . 1 10 10 GLY N N 15 110.664 0.300 . 1 . . . . A 10 GLY N . 36786 1 56 . 1 . 1 11 11 TYR H H 1 7.894 0.030 . 1 . . . . A 11 TYR H . 36786 1 57 . 1 . 1 11 11 TYR HA H 1 4.467 0.030 . 1 . . . . A 11 TYR HA . 36786 1 58 . 1 . 1 11 11 TYR HB2 H 1 2.917 0.030 . 2 . . . . A 11 TYR HB2 . 36786 1 59 . 1 . 1 11 11 TYR HB3 H 1 3.015 0.030 . 2 . . . . A 11 TYR HB3 . 36786 1 60 . 1 . 1 11 11 TYR HD1 H 1 7.064 0.030 . 1 . . . . A 11 TYR HD1 . 36786 1 61 . 1 . 1 11 11 TYR HD2 H 1 7.064 0.030 . 1 . . . . A 11 TYR HD2 . 36786 1 62 . 1 . 1 11 11 TYR HE1 H 1 6.792 0.030 . 1 . . . . A 11 TYR HE1 . 36786 1 63 . 1 . 1 11 11 TYR HE2 H 1 6.792 0.030 . 1 . . . . A 11 TYR HE2 . 36786 1 64 . 1 . 1 11 11 TYR C C 13 175.967 0.300 . 1 . . . . A 11 TYR C . 36786 1 65 . 1 . 1 11 11 TYR CA C 13 58.114 0.300 . 1 . . . . A 11 TYR CA . 36786 1 66 . 1 . 1 11 11 TYR CB C 13 38.732 0.300 . 1 . . . . A 11 TYR CB . 36786 1 67 . 1 . 1 11 11 TYR CD1 C 13 133.133 0.300 . 1 . . . . A 11 TYR CD1 . 36786 1 68 . 1 . 1 11 11 TYR CD2 C 13 133.133 0.300 . 1 . . . . A 11 TYR CD2 . 36786 1 69 . 1 . 1 11 11 TYR CE1 C 13 118.133 0.300 . 1 . . . . A 11 TYR CE1 . 36786 1 70 . 1 . 1 11 11 TYR CE2 C 13 118.133 0.300 . 1 . . . . A 11 TYR CE2 . 36786 1 71 . 1 . 1 11 11 TYR N N 15 119.662 0.300 . 1 . . . . A 11 TYR N . 36786 1 72 . 1 . 1 12 12 GLU H H 1 8.416 0.030 . 1 . . . . A 12 GLU H . 36786 1 73 . 1 . 1 12 12 GLU HA H 1 4.172 0.030 . 1 . . . . A 12 GLU HA . 36786 1 74 . 1 . 1 12 12 GLU HB2 H 1 1.844 0.030 . 2 . . . . A 12 GLU HB2 . 36786 1 75 . 1 . 1 12 12 GLU HB3 H 1 1.956 0.030 . 2 . . . . A 12 GLU HB3 . 36786 1 76 . 1 . 1 12 12 GLU HG2 H 1 2.086 0.030 . 2 . . . . A 12 GLU HG2 . 36786 1 77 . 1 . 1 12 12 GLU HG3 H 1 2.043 0.030 . 2 . . . . A 12 GLU HG3 . 36786 1 78 . 1 . 1 12 12 GLU C C 13 175.876 0.300 . 1 . . . . A 12 GLU C . 36786 1 79 . 1 . 1 12 12 GLU CA C 13 56.853 0.300 . 1 . . . . A 12 GLU CA . 36786 1 80 . 1 . 1 12 12 GLU CB C 13 30.403 0.300 . 1 . . . . A 12 GLU CB . 36786 1 81 . 1 . 1 12 12 GLU CG C 13 36.075 0.300 . 1 . . . . A 12 GLU CG . 36786 1 82 . 1 . 1 12 12 GLU N N 15 122.185 0.300 . 1 . . . . A 12 GLU N . 36786 1 83 . 1 . 1 13 13 ASP H H 1 8.269 0.030 . 1 . . . . A 13 ASP H . 36786 1 84 . 1 . 1 13 13 ASP HA H 1 4.527 0.030 . 1 . . . . A 13 ASP HA . 36786 1 85 . 1 . 1 13 13 ASP HB2 H 1 2.538 0.030 . 2 . . . . A 13 ASP HB2 . 36786 1 86 . 1 . 1 13 13 ASP HB3 H 1 2.706 0.030 . 2 . . . . A 13 ASP HB3 . 36786 1 87 . 1 . 1 13 13 ASP C C 13 176.280 0.300 . 1 . . . . A 13 ASP C . 36786 1 88 . 1 . 1 13 13 ASP CA C 13 54.221 0.300 . 1 . . . . A 13 ASP CA . 36786 1 89 . 1 . 1 13 13 ASP CB C 13 41.072 0.300 . 1 . . . . A 13 ASP CB . 36786 1 90 . 1 . 1 13 13 ASP N N 15 120.844 0.300 . 1 . . . . A 13 ASP N . 36786 1 91 . 1 . 1 14 14 LEU H H 1 8.149 0.030 . 1 . . . . A 14 LEU H . 36786 1 92 . 1 . 1 14 14 LEU HA H 1 4.275 0.030 . 1 . . . . A 14 LEU HA . 36786 1 93 . 1 . 1 14 14 LEU HB2 H 1 1.602 0.030 . 1 . . . . A 14 LEU HB2 . 36786 1 94 . 1 . 1 14 14 LEU HB3 H 1 1.602 0.030 . 1 . . . . A 14 LEU HB3 . 36786 1 95 . 1 . 1 14 14 LEU HD11 H 1 0.837 0.030 . 2 . . . . A 14 LEU HD11 . 36786 1 96 . 1 . 1 14 14 LEU HD12 H 1 0.837 0.030 . 2 . . . . A 14 LEU HD12 . 36786 1 97 . 1 . 1 14 14 LEU HD13 H 1 0.837 0.030 . 2 . . . . A 14 LEU HD13 . 36786 1 98 . 1 . 1 14 14 LEU HD21 H 1 0.837 0.030 . 2 . . . . A 14 LEU HD21 . 36786 1 99 . 1 . 1 14 14 LEU HD22 H 1 0.837 0.030 . 2 . . . . A 14 LEU HD22 . 36786 1 100 . 1 . 1 14 14 LEU HD23 H 1 0.837 0.030 . 2 . . . . A 14 LEU HD23 . 36786 1 101 . 1 . 1 14 14 LEU C C 13 177.633 0.300 . 1 . . . . A 14 LEU C . 36786 1 102 . 1 . 1 14 14 LEU CA C 13 55.408 0.300 . 1 . . . . A 14 LEU CA . 36786 1 103 . 1 . 1 14 14 LEU CB C 13 41.967 0.300 . 1 . . . . A 14 LEU CB . 36786 1 104 . 1 . 1 14 14 LEU CD1 C 13 25.069 0.300 . 2 . . . . A 14 LEU CD1 . 36786 1 105 . 1 . 1 14 14 LEU CD2 C 13 23.230 0.300 . 2 . . . . A 14 LEU CD2 . 36786 1 106 . 1 . 1 14 14 LEU CG C 13 27.001 0.300 . 1 . . . . A 14 LEU CG . 36786 1 107 . 1 . 1 14 14 LEU N N 15 122.931 0.300 . 1 . . . . A 14 LEU N . 36786 1 108 . 1 . 1 15 15 ARG H H 1 8.217 0.030 . 1 . . . . A 15 ARG H . 36786 1 109 . 1 . 1 15 15 ARG HA H 1 4.210 0.030 . 1 . . . . A 15 ARG HA . 36786 1 110 . 1 . 1 15 15 ARG HB2 H 1 1.739 0.030 . 2 . . . . A 15 ARG HB2 . 36786 1 111 . 1 . 1 15 15 ARG HB3 H 1 1.785 0.030 . 2 . . . . A 15 ARG HB3 . 36786 1 112 . 1 . 1 15 15 ARG HD2 H 1 3.134 0.030 . 1 . . . . A 15 ARG HD2 . 36786 1 113 . 1 . 1 15 15 ARG HD3 H 1 3.134 0.030 . 1 . . . . A 15 ARG HD3 . 36786 1 114 . 1 . 1 15 15 ARG HG2 H 1 1.591 0.030 . 1 . . . . A 15 ARG HG2 . 36786 1 115 . 1 . 1 15 15 ARG HG3 H 1 1.591 0.030 . 1 . . . . A 15 ARG HG3 . 36786 1 116 . 1 . 1 15 15 ARG C C 13 176.701 0.300 . 1 . . . . A 15 ARG C . 36786 1 117 . 1 . 1 15 15 ARG CA C 13 56.546 0.300 . 1 . . . . A 15 ARG CA . 36786 1 118 . 1 . 1 15 15 ARG CB C 13 30.816 0.300 . 1 . . . . A 15 ARG CB . 36786 1 119 . 1 . 1 15 15 ARG CD C 13 43.279 0.300 . 1 . . . . A 15 ARG CD . 36786 1 120 . 1 . 1 15 15 ARG CG C 13 27.092 0.300 . 1 . . . . A 15 ARG CG . 36786 1 121 . 1 . 1 15 15 ARG N N 15 121.121 0.300 . 1 . . . . A 15 ARG N . 36786 1 122 . 1 . 1 16 16 GLU H H 1 8.362 0.030 . 1 . . . . A 16 GLU H . 36786 1 123 . 1 . 1 16 16 GLU HA H 1 4.251 0.030 . 1 . . . . A 16 GLU HA . 36786 1 124 . 1 . 1 16 16 GLU HB2 H 1 1.924 0.030 . 2 . . . . A 16 GLU HB2 . 36786 1 125 . 1 . 1 16 16 GLU HB3 H 1 2.047 0.030 . 2 . . . . A 16 GLU HB3 . 36786 1 126 . 1 . 1 16 16 GLU HG2 H 1 2.232 0.030 . 1 . . . . A 16 GLU HG2 . 36786 1 127 . 1 . 1 16 16 GLU HG3 H 1 2.232 0.030 . 1 . . . . A 16 GLU HG3 . 36786 1 128 . 1 . 1 16 16 GLU C C 13 178.780 0.300 . 1 . . . . A 16 GLU C . 36786 1 129 . 1 . 1 16 16 GLU CA C 13 56.792 0.300 . 1 . . . . A 16 GLU CA . 36786 1 130 . 1 . 1 16 16 GLU CB C 13 30.165 0.300 . 1 . . . . A 16 GLU CB . 36786 1 131 . 1 . 1 16 16 GLU CG C 13 36.382 0.300 . 1 . . . . A 16 GLU CG . 36786 1 132 . 1 . 1 16 16 GLU N N 15 121.029 0.300 . 1 . . . . A 16 GLU N . 36786 1 133 . 1 . 1 17 17 SER H H 1 8.287 0.030 . 1 . . . . A 17 SER H . 36786 1 134 . 1 . 1 17 17 SER HA H 1 4.462 0.030 . 1 . . . . A 17 SER HA . 36786 1 135 . 1 . 1 17 17 SER HB2 H 1 3.877 0.030 . 1 . . . . A 17 SER HB2 . 36786 1 136 . 1 . 1 17 17 SER HB3 H 1 3.877 0.030 . 1 . . . . A 17 SER HB3 . 36786 1 137 . 1 . 1 17 17 SER C C 13 174.878 0.300 . 1 . . . . A 17 SER C . 36786 1 138 . 1 . 1 17 17 SER CA C 13 58.575 0.300 . 1 . . . . A 17 SER CA . 36786 1 139 . 1 . 1 17 17 SER CB C 13 63.718 0.300 . 1 . . . . A 17 SER CB . 36786 1 140 . 1 . 1 17 17 SER N N 15 116.367 0.300 . 1 . . . . A 17 SER N . 36786 1 141 . 1 . 1 18 18 SER H H 1 8.329 0.030 . 1 . . . . A 18 SER H . 36786 1 142 . 1 . 1 18 18 SER HB2 H 1 3.872 0.030 . 1 . . . . A 18 SER HB2 . 36786 1 143 . 1 . 1 18 18 SER HB3 H 1 3.872 0.030 . 1 . . . . A 18 SER HB3 . 36786 1 144 . 1 . 1 18 18 SER C C 13 173.913 0.300 . 1 . . . . A 18 SER C . 36786 1 145 . 1 . 1 18 18 SER CA C 13 58.422 0.300 . 1 . . . . A 18 SER CA . 36786 1 146 . 1 . 1 18 18 SER CB C 13 63.787 0.300 . 1 . . . . A 18 SER CB . 36786 1 147 . 1 . 1 18 18 SER N N 15 117.830 0.300 . 1 . . . . A 18 SER N . 36786 1 148 . 1 . 1 19 19 ASN H H 1 8.237 0.030 . 1 . . . . A 19 ASN H . 36786 1 149 . 1 . 1 19 19 ASN HA H 1 4.684 0.030 . 1 . . . . A 19 ASN HA . 36786 1 150 . 1 . 1 19 19 ASN HB2 H 1 2.745 0.030 . 2 . . . . A 19 ASN HB2 . 36786 1 151 . 1 . 1 19 19 ASN HB3 H 1 2.819 0.030 . 2 . . . . A 19 ASN HB3 . 36786 1 152 . 1 . 1 19 19 ASN HD21 H 1 7.611 0.030 . 2 . . . . A 19 ASN HD21 . 36786 1 153 . 1 . 1 19 19 ASN HD22 H 1 6.891 0.030 . 2 . . . . A 19 ASN HD22 . 36786 1 154 . 1 . 1 19 19 ASN CA C 13 53.580 0.300 . 1 . . . . A 19 ASN CA . 36786 1 155 . 1 . 1 19 19 ASN CB C 13 38.787 0.300 . 1 . . . . A 19 ASN CB . 36786 1 156 . 1 . 1 19 19 ASN ND2 N 15 112.336 0.300 . 1 . . . . A 19 ASN ND2 . 36786 1 157 . 1 . 1 20 20 SER H H 1 8.243 0.030 . 1 . . . . A 20 SER H . 36786 1 158 . 1 . 1 20 20 SER HA H 1 4.349 0.030 . 1 . . . . A 20 SER HA . 36786 1 159 . 1 . 1 20 20 SER HB2 H 1 3.853 0.030 . 1 . . . . A 20 SER HB2 . 36786 1 160 . 1 . 1 20 20 SER HB3 H 1 3.853 0.030 . 1 . . . . A 20 SER HB3 . 36786 1 161 . 1 . 1 20 20 SER C C 13 174.853 0.300 . 1 . . . . A 20 SER C . 36786 1 162 . 1 . 1 20 20 SER CA C 13 59.008 0.300 . 1 . . . . A 20 SER CA . 36786 1 163 . 1 . 1 20 20 SER CB C 13 63.711 0.300 . 1 . . . . A 20 SER CB . 36786 1 164 . 1 . 1 20 20 SER N N 15 116.517 0.300 . 1 . . . . A 20 SER N . 36786 1 165 . 1 . 1 21 21 LEU H H 1 8.229 0.030 . 1 . . . . A 21 LEU H . 36786 1 166 . 1 . 1 21 21 LEU HA H 1 4.250 0.030 . 1 . . . . A 21 LEU HA . 36786 1 167 . 1 . 1 21 21 LEU HB2 H 1 1.585 0.030 . 1 . . . . A 21 LEU HB2 . 36786 1 168 . 1 . 1 21 21 LEU HB3 H 1 1.585 0.030 . 1 . . . . A 21 LEU HB3 . 36786 1 169 . 1 . 1 21 21 LEU HD11 H 1 0.873 0.030 . 2 . . . . A 21 LEU HD11 . 36786 1 170 . 1 . 1 21 21 LEU HD12 H 1 0.873 0.030 . 2 . . . . A 21 LEU HD12 . 36786 1 171 . 1 . 1 21 21 LEU HD13 H 1 0.873 0.030 . 2 . . . . A 21 LEU HD13 . 36786 1 172 . 1 . 1 21 21 LEU HD21 H 1 0.805 0.030 . 2 . . . . A 21 LEU HD21 . 36786 1 173 . 1 . 1 21 21 LEU HD22 H 1 0.805 0.030 . 2 . . . . A 21 LEU HD22 . 36786 1 174 . 1 . 1 21 21 LEU HD23 H 1 0.805 0.030 . 2 . . . . A 21 LEU HD23 . 36786 1 175 . 1 . 1 21 21 LEU HG H 1 1.539 0.030 . 1 . . . . A 21 LEU HG . 36786 1 176 . 1 . 1 21 21 LEU C C 13 177.485 0.300 . 1 . . . . A 21 LEU C . 36786 1 177 . 1 . 1 21 21 LEU CA C 13 55.716 0.300 . 1 . . . . A 21 LEU CA . 36786 1 178 . 1 . 1 21 21 LEU CB C 13 42.104 0.300 . 1 . . . . A 21 LEU CB . 36786 1 179 . 1 . 1 21 21 LEU CD1 C 13 25.161 0.300 . 2 . . . . A 21 LEU CD1 . 36786 1 180 . 1 . 1 21 21 LEU CD2 C 13 23.414 0.300 . 2 . . . . A 21 LEU CD2 . 36786 1 181 . 1 . 1 21 21 LEU CG C 13 27.092 0.300 . 1 . . . . A 21 LEU CG . 36786 1 182 . 1 . 1 21 21 LEU N N 15 123.275 0.300 . 1 . . . . A 21 LEU N . 36786 1 183 . 1 . 1 22 22 LEU H H 1 7.940 0.030 . 1 . . . . A 22 LEU H . 36786 1 184 . 1 . 1 22 22 LEU HA H 1 4.211 0.030 . 1 . . . . A 22 LEU HA . 36786 1 185 . 1 . 1 22 22 LEU HB2 H 1 1.503 0.030 . 2 . . . . A 22 LEU HB2 . 36786 1 186 . 1 . 1 22 22 LEU HB3 H 1 1.556 0.030 . 2 . . . . A 22 LEU HB3 . 36786 1 187 . 1 . 1 22 22 LEU HD11 H 1 0.872 0.030 . 2 . . . . A 22 LEU HD11 . 36786 1 188 . 1 . 1 22 22 LEU HD12 H 1 0.872 0.030 . 2 . . . . A 22 LEU HD12 . 36786 1 189 . 1 . 1 22 22 LEU HD13 H 1 0.872 0.030 . 2 . . . . A 22 LEU HD13 . 36786 1 190 . 1 . 1 22 22 LEU HD21 H 1 0.807 0.030 . 2 . . . . A 22 LEU HD21 . 36786 1 191 . 1 . 1 22 22 LEU HD22 H 1 0.807 0.030 . 2 . . . . A 22 LEU HD22 . 36786 1 192 . 1 . 1 22 22 LEU HD23 H 1 0.807 0.030 . 2 . . . . A 22 LEU HD23 . 36786 1 193 . 1 . 1 22 22 LEU HG H 1 1.552 0.030 . 1 . . . . A 22 LEU HG . 36786 1 194 . 1 . 1 22 22 LEU C C 13 177.361 0.300 . 1 . . . . A 22 LEU C . 36786 1 195 . 1 . 1 22 22 LEU CA C 13 55.522 0.300 . 1 . . . . A 22 LEU CA . 36786 1 196 . 1 . 1 22 22 LEU CB C 13 42.104 0.300 . 1 . . . . A 22 LEU CB . 36786 1 197 . 1 . 1 22 22 LEU CD1 C 13 25.069 0.300 . 2 . . . . A 22 LEU CD1 . 36786 1 198 . 1 . 1 22 22 LEU CD2 C 13 23.506 0.300 . 2 . . . . A 22 LEU CD2 . 36786 1 199 . 1 . 1 22 22 LEU CG C 13 26.909 0.300 . 1 . . . . A 22 LEU CG . 36786 1 200 . 1 . 1 22 22 LEU N N 15 120.455 0.300 . 1 . . . . A 22 LEU N . 36786 1 201 . 1 . 1 23 23 ASN H H 1 8.186 0.030 . 1 . . . . A 23 ASN H . 36786 1 202 . 1 . 1 23 23 ASN HA H 1 4.544 0.030 . 1 . . . . A 23 ASN HA . 36786 1 203 . 1 . 1 23 23 ASN HB2 H 1 2.670 0.030 . 2 . . . . A 23 ASN HB2 . 36786 1 204 . 1 . 1 23 23 ASN HB3 H 1 2.735 0.030 . 2 . . . . A 23 ASN HB3 . 36786 1 205 . 1 . 1 23 23 ASN HD21 H 1 7.514 0.030 . 2 . . . . A 23 ASN HD21 . 36786 1 206 . 1 . 1 23 23 ASN HD22 H 1 6.839 0.030 . 2 . . . . A 23 ASN HD22 . 36786 1 207 . 1 . 1 23 23 ASN C C 13 174.977 0.300 . 1 . . . . A 23 ASN C . 36786 1 208 . 1 . 1 23 23 ASN CA C 13 53.626 0.300 . 1 . . . . A 23 ASN CA . 36786 1 209 . 1 . 1 23 23 ASN CB C 13 38.445 0.300 . 1 . . . . A 23 ASN CB . 36786 1 210 . 1 . 1 23 23 ASN N N 15 117.707 0.300 . 1 . . . . A 23 ASN N . 36786 1 211 . 1 . 1 23 23 ASN ND2 N 15 111.761 0.300 . 1 . . . . A 23 ASN ND2 . 36786 1 212 . 1 . 1 24 24 HIS H H 1 7.912 0.030 . 1 . . . . A 24 HIS H . 36786 1 213 . 1 . 1 24 24 HIS HA H 1 4.514 0.030 . 1 . . . . A 24 HIS HA . 36786 1 214 . 1 . 1 24 24 HIS HB2 H 1 2.997 0.030 . 2 . . . . A 24 HIS HB2 . 36786 1 215 . 1 . 1 24 24 HIS HB3 H 1 3.050 0.030 . 2 . . . . A 24 HIS HB3 . 36786 1 216 . 1 . 1 24 24 HIS HD2 H 1 6.959 0.030 . 1 . . . . A 24 HIS HD2 . 36786 1 217 . 1 . 1 24 24 HIS HE1 H 1 7.884 0.030 . 1 . . . . A 24 HIS HE1 . 36786 1 218 . 1 . 1 24 24 HIS C C 13 174.829 0.300 . 1 . . . . A 24 HIS C . 36786 1 219 . 1 . 1 24 24 HIS CA C 13 56.401 0.300 . 1 . . . . A 24 HIS CA . 36786 1 220 . 1 . 1 24 24 HIS CB C 13 30.945 0.300 . 1 . . . . A 24 HIS CB . 36786 1 221 . 1 . 1 24 24 HIS CD2 C 13 120.008 0.300 . 1 . . . . A 24 HIS CD2 . 36786 1 222 . 1 . 1 24 24 HIS CE1 C 13 138.133 0.300 . 1 . . . . A 24 HIS CE1 . 36786 1 223 . 1 . 1 24 24 HIS N N 15 118.322 0.300 . 1 . . . . A 24 HIS N . 36786 1 224 . 1 . 1 25 25 GLN H H 1 8.258 0.030 . 1 . . . . A 25 GLN H . 36786 1 225 . 1 . 1 25 25 GLN HA H 1 4.278 0.030 . 1 . . . . A 25 GLN HA . 36786 1 226 . 1 . 1 25 25 GLN HB2 H 1 2.032 0.030 . 2 . . . . A 25 GLN HB2 . 36786 1 227 . 1 . 1 25 25 GLN HB3 H 1 1.950 0.030 . 2 . . . . A 25 GLN HB3 . 36786 1 228 . 1 . 1 25 25 GLN HE21 H 1 7.496 0.030 . 2 . . . . A 25 GLN HE21 . 36786 1 229 . 1 . 1 25 25 GLN HE22 H 1 6.780 0.030 . 2 . . . . A 25 GLN HE22 . 36786 1 230 . 1 . 1 25 25 GLN HG2 H 1 2.248 0.030 . 1 . . . . A 25 GLN HG2 . 36786 1 231 . 1 . 1 25 25 GLN HG3 H 1 2.248 0.030 . 1 . . . . A 25 GLN HG3 . 36786 1 232 . 1 . 1 25 25 GLN C C 13 175.620 0.300 . 1 . . . . A 25 GLN C . 36786 1 233 . 1 . 1 25 25 GLN CA C 13 55.945 0.300 . 1 . . . . A 25 GLN CA . 36786 1 234 . 1 . 1 25 25 GLN CB C 13 28.826 0.300 . 1 . . . . A 25 GLN CB . 36786 1 235 . 1 . 1 25 25 GLN CG C 13 33.825 0.300 . 1 . . . . A 25 GLN CG . 36786 1 236 . 1 . 1 25 25 GLN N N 15 121.061 0.300 . 1 . . . . A 25 GLN N . 36786 1 237 . 1 . 1 25 25 GLN NE2 N 15 112.005 0.300 . 1 . . . . A 25 GLN NE2 . 36786 1 238 . 1 . 1 26 26 LEU H H 1 8.270 0.030 . 1 . . . . A 26 LEU H . 36786 1 239 . 1 . 1 26 26 LEU HA H 1 4.627 0.030 . 1 . . . . A 26 LEU HA . 36786 1 240 . 1 . 1 26 26 LEU HB2 H 1 1.529 0.030 . 2 . . . . A 26 LEU HB2 . 36786 1 241 . 1 . 1 26 26 LEU HB3 H 1 1.712 0.030 . 2 . . . . A 26 LEU HB3 . 36786 1 242 . 1 . 1 26 26 LEU HD11 H 1 0.861 0.030 . 2 . . . . A 26 LEU HD11 . 36786 1 243 . 1 . 1 26 26 LEU HD12 H 1 0.861 0.030 . 2 . . . . A 26 LEU HD12 . 36786 1 244 . 1 . 1 26 26 LEU HD13 H 1 0.861 0.030 . 2 . . . . A 26 LEU HD13 . 36786 1 245 . 1 . 1 26 26 LEU HD21 H 1 0.934 0.030 . 2 . . . . A 26 LEU HD21 . 36786 1 246 . 1 . 1 26 26 LEU HD22 H 1 0.934 0.030 . 2 . . . . A 26 LEU HD22 . 36786 1 247 . 1 . 1 26 26 LEU HD23 H 1 0.934 0.030 . 2 . . . . A 26 LEU HD23 . 36786 1 248 . 1 . 1 26 26 LEU HG H 1 1.728 0.030 . 1 . . . . A 26 LEU HG . 36786 1 249 . 1 . 1 26 26 LEU C C 13 177.922 0.300 . 1 . . . . A 26 LEU C . 36786 1 250 . 1 . 1 26 26 LEU CA C 13 54.232 0.300 . 1 . . . . A 26 LEU CA . 36786 1 251 . 1 . 1 26 26 LEU CB C 13 43.619 0.300 . 1 . . . . A 26 LEU CB . 36786 1 252 . 1 . 1 26 26 LEU CD1 C 13 26.352 0.300 . 2 . . . . A 26 LEU CD1 . 36786 1 253 . 1 . 1 26 26 LEU CD2 C 13 23.387 0.300 . 2 . . . . A 26 LEU CD2 . 36786 1 254 . 1 . 1 26 26 LEU CG C 13 27.034 0.300 . 1 . . . . A 26 LEU CG . 36786 1 255 . 1 . 1 26 26 LEU N N 15 123.183 0.300 . 1 . . . . A 26 LEU N . 36786 1 256 . 1 . 1 27 27 SER H H 1 9.215 0.030 . 1 . . . . A 27 SER H . 36786 1 257 . 1 . 1 27 27 SER HA H 1 4.417 0.030 . 1 . . . . A 27 SER HA . 36786 1 258 . 1 . 1 27 27 SER HB2 H 1 4.283 0.030 . 2 . . . . A 27 SER HB2 . 36786 1 259 . 1 . 1 27 27 SER HB3 H 1 4.075 0.030 . 2 . . . . A 27 SER HB3 . 36786 1 260 . 1 . 1 27 27 SER C C 13 174.284 0.300 . 1 . . . . A 27 SER C . 36786 1 261 . 1 . 1 27 27 SER CA C 13 57.376 0.300 . 1 . . . . A 27 SER CA . 36786 1 262 . 1 . 1 27 27 SER CB C 13 64.613 0.300 . 1 . . . . A 27 SER CB . 36786 1 263 . 1 . 1 27 27 SER N N 15 119.066 0.300 . 1 . . . . A 27 SER N . 36786 1 264 . 1 . 1 28 28 GLU H H 1 8.961 0.030 . 1 . . . . A 28 GLU H . 36786 1 265 . 1 . 1 28 28 GLU HA H 1 3.977 0.030 . 1 . . . . A 28 GLU HA . 36786 1 266 . 1 . 1 28 28 GLU HB2 H 1 2.047 0.030 . 1 . . . . A 28 GLU HB2 . 36786 1 267 . 1 . 1 28 28 GLU HB3 H 1 2.047 0.030 . 1 . . . . A 28 GLU HB3 . 36786 1 268 . 1 . 1 28 28 GLU HG2 H 1 2.289 0.030 . 2 . . . . A 28 GLU HG2 . 36786 1 269 . 1 . 1 28 28 GLU HG3 H 1 2.364 0.030 . 2 . . . . A 28 GLU HG3 . 36786 1 270 . 1 . 1 28 28 GLU C C 13 179.514 0.300 . 1 . . . . A 28 GLU C . 36786 1 271 . 1 . 1 28 28 GLU CA C 13 60.204 0.300 . 1 . . . . A 28 GLU CA . 36786 1 272 . 1 . 1 28 28 GLU CB C 13 29.508 0.300 . 1 . . . . A 28 GLU CB . 36786 1 273 . 1 . 1 28 28 GLU CG C 13 36.700 0.300 . 1 . . . . A 28 GLU CG . 36786 1 274 . 1 . 1 28 28 GLU N N 15 121.270 0.300 . 1 . . . . A 28 GLU N . 36786 1 275 . 1 . 1 29 29 ILE H H 1 7.926 0.030 . 1 . . . . A 29 ILE H . 36786 1 276 . 1 . 1 29 29 ILE HA H 1 3.897 0.030 . 1 . . . . A 29 ILE HA . 36786 1 277 . 1 . 1 29 29 ILE HB H 1 1.686 0.030 . 1 . . . . A 29 ILE HB . 36786 1 278 . 1 . 1 29 29 ILE HD11 H 1 0.836 0.030 . 1 . . . . A 29 ILE HD11 . 36786 1 279 . 1 . 1 29 29 ILE HD12 H 1 0.836 0.030 . 1 . . . . A 29 ILE HD12 . 36786 1 280 . 1 . 1 29 29 ILE HD13 H 1 0.836 0.030 . 1 . . . . A 29 ILE HD13 . 36786 1 281 . 1 . 1 29 29 ILE HG12 H 1 1.178 0.030 . 2 . . . . A 29 ILE HG12 . 36786 1 282 . 1 . 1 29 29 ILE HG13 H 1 1.518 0.030 . 2 . . . . A 29 ILE HG13 . 36786 1 283 . 1 . 1 29 29 ILE HG21 H 1 0.820 0.030 . 1 . . . . A 29 ILE HG21 . 36786 1 284 . 1 . 1 29 29 ILE HG22 H 1 0.820 0.030 . 1 . . . . A 29 ILE HG22 . 36786 1 285 . 1 . 1 29 29 ILE HG23 H 1 0.820 0.030 . 1 . . . . A 29 ILE HG23 . 36786 1 286 . 1 . 1 29 29 ILE C C 13 177.798 0.300 . 1 . . . . A 29 ILE C . 36786 1 287 . 1 . 1 29 29 ILE CA C 13 63.526 0.300 . 1 . . . . A 29 ILE CA . 36786 1 288 . 1 . 1 29 29 ILE CB C 13 38.319 0.300 . 1 . . . . A 29 ILE CB . 36786 1 289 . 1 . 1 29 29 ILE CD1 C 13 12.812 0.300 . 1 . . . . A 29 ILE CD1 . 36786 1 290 . 1 . 1 29 29 ILE CG1 C 13 28.849 0.300 . 1 . . . . A 29 ILE CG1 . 36786 1 291 . 1 . 1 29 29 ILE CG2 C 13 17.077 0.300 . 1 . . . . A 29 ILE CG2 . 36786 1 292 . 1 . 1 29 29 ILE N N 15 119.206 0.300 . 1 . . . . A 29 ILE N . 36786 1 293 . 1 . 1 30 30 ASP H H 1 7.651 0.030 . 1 . . . . A 30 ASP H . 36786 1 294 . 1 . 1 30 30 ASP HA H 1 4.218 0.030 . 1 . . . . A 30 ASP HA . 36786 1 295 . 1 . 1 30 30 ASP HB2 H 1 2.759 0.030 . 2 . . . . A 30 ASP HB2 . 36786 1 296 . 1 . 1 30 30 ASP HB3 H 1 2.560 0.030 . 2 . . . . A 30 ASP HB3 . 36786 1 297 . 1 . 1 30 30 ASP C C 13 177.938 0.300 . 1 . . . . A 30 ASP C . 36786 1 298 . 1 . 1 30 30 ASP CA C 13 56.823 0.300 . 1 . . . . A 30 ASP CA . 36786 1 299 . 1 . 1 30 30 ASP CB C 13 40.246 0.300 . 1 . . . . A 30 ASP CB . 36786 1 300 . 1 . 1 30 30 ASP N N 15 123.382 0.300 . 1 . . . . A 30 ASP N . 36786 1 301 . 1 . 1 31 31 GLN H H 1 8.811 0.030 . 1 . . . . A 31 GLN H . 36786 1 302 . 1 . 1 31 31 GLN HA H 1 3.750 0.030 . 1 . . . . A 31 GLN HA . 36786 1 303 . 1 . 1 31 31 GLN HB2 H 1 2.060 0.030 . 1 . . . . A 31 GLN HB2 . 36786 1 304 . 1 . 1 31 31 GLN HB3 H 1 2.060 0.030 . 1 . . . . A 31 GLN HB3 . 36786 1 305 . 1 . 1 31 31 GLN HE21 H 1 6.770 0.030 . 2 . . . . A 31 GLN HE21 . 36786 1 306 . 1 . 1 31 31 GLN HE22 H 1 6.881 0.030 . 2 . . . . A 31 GLN HE22 . 36786 1 307 . 1 . 1 31 31 GLN HG2 H 1 2.220 0.030 . 1 . . . . A 31 GLN HG2 . 36786 1 308 . 1 . 1 31 31 GLN HG3 H 1 2.220 0.030 . 1 . . . . A 31 GLN HG3 . 36786 1 309 . 1 . 1 31 31 GLN C C 13 177.237 0.300 . 1 . . . . A 31 GLN C . 36786 1 310 . 1 . 1 31 31 GLN CA C 13 59.221 0.300 . 1 . . . . A 31 GLN CA . 36786 1 311 . 1 . 1 31 31 GLN CB C 13 28.720 0.300 . 1 . . . . A 31 GLN CB . 36786 1 312 . 1 . 1 31 31 GLN CG C 13 34.493 0.300 . 1 . . . . A 31 GLN CG . 36786 1 313 . 1 . 1 31 31 GLN N N 15 121.878 0.300 . 1 . . . . A 31 GLN N . 36786 1 314 . 1 . 1 31 31 GLN NE2 N 15 111.924 0.300 . 1 . . . . A 31 GLN NE2 . 36786 1 315 . 1 . 1 32 32 ALA H H 1 7.523 0.030 . 1 . . . . A 32 ALA H . 36786 1 316 . 1 . 1 32 32 ALA HA H 1 4.211 0.030 . 1 . . . . A 32 ALA HA . 36786 1 317 . 1 . 1 32 32 ALA HB1 H 1 1.503 0.030 . 1 . . . . A 32 ALA HB1 . 36786 1 318 . 1 . 1 32 32 ALA HB2 H 1 1.503 0.030 . 1 . . . . A 32 ALA HB2 . 36786 1 319 . 1 . 1 32 32 ALA HB3 H 1 1.503 0.030 . 1 . . . . A 32 ALA HB3 . 36786 1 320 . 1 . 1 32 32 ALA C C 13 174.144 0.300 . 1 . . . . A 32 ALA C . 36786 1 321 . 1 . 1 32 32 ALA CA C 13 55.121 0.300 . 1 . . . . A 32 ALA CA . 36786 1 322 . 1 . 1 32 32 ALA CB C 13 17.645 0.300 . 1 . . . . A 32 ALA CB . 36786 1 323 . 1 . 1 32 32 ALA N N 15 120.295 0.300 . 1 . . . . A 32 ALA N . 36786 1 324 . 1 . 1 33 33 ARG H H 1 7.770 0.030 . 1 . . . . A 33 ARG H . 36786 1 325 . 1 . 1 33 33 ARG HA H 1 4.017 0.030 . 1 . . . . A 33 ARG HA . 36786 1 326 . 1 . 1 33 33 ARG HB2 H 1 1.320 0.030 . 1 . . . . A 33 ARG HB2 . 36786 1 327 . 1 . 1 33 33 ARG HB3 H 1 1.320 0.030 . 1 . . . . A 33 ARG HB3 . 36786 1 328 . 1 . 1 33 33 ARG HD2 H 1 2.728 0.030 . 2 . . . . A 33 ARG HD2 . 36786 1 329 . 1 . 1 33 33 ARG HD3 H 1 2.484 0.030 . 2 . . . . A 33 ARG HD3 . 36786 1 330 . 1 . 1 33 33 ARG HG2 H 1 1.670 0.030 . 2 . . . . A 33 ARG HG2 . 36786 1 331 . 1 . 1 33 33 ARG HG3 H 1 1.274 0.030 . 2 . . . . A 33 ARG HG3 . 36786 1 332 . 1 . 1 33 33 ARG C C 13 178.788 0.300 . 1 . . . . A 33 ARG C . 36786 1 333 . 1 . 1 33 33 ARG CA C 13 59.405 0.300 . 1 . . . . A 33 ARG CA . 36786 1 334 . 1 . 1 33 33 ARG CB C 13 30.184 0.300 . 1 . . . . A 33 ARG CB . 36786 1 335 . 1 . 1 33 33 ARG CD C 13 43.853 0.300 . 1 . . . . A 33 ARG CD . 36786 1 336 . 1 . 1 33 33 ARG CG C 13 26.946 0.300 . 1 . . . . A 33 ARG CG . 36786 1 337 . 1 . 1 33 33 ARG N N 15 119.696 0.300 . 1 . . . . A 33 ARG N . 36786 1 338 . 1 . 1 34 34 LEU H H 1 8.548 0.030 . 1 . . . . A 34 LEU H . 36786 1 339 . 1 . 1 34 34 LEU HA H 1 4.051 0.030 . 1 . . . . A 34 LEU HA . 36786 1 340 . 1 . 1 34 34 LEU HB2 H 1 1.574 0.030 . 2 . . . . A 34 LEU HB2 . 36786 1 341 . 1 . 1 34 34 LEU HB3 H 1 2.157 0.030 . 2 . . . . A 34 LEU HB3 . 36786 1 342 . 1 . 1 34 34 LEU HD11 H 1 0.924 0.030 . 2 . . . . A 34 LEU HD11 . 36786 1 343 . 1 . 1 34 34 LEU HD12 H 1 0.924 0.030 . 2 . . . . A 34 LEU HD12 . 36786 1 344 . 1 . 1 34 34 LEU HD13 H 1 0.924 0.030 . 2 . . . . A 34 LEU HD13 . 36786 1 345 . 1 . 1 34 34 LEU HD21 H 1 0.817 0.030 . 2 . . . . A 34 LEU HD21 . 36786 1 346 . 1 . 1 34 34 LEU HD22 H 1 0.817 0.030 . 2 . . . . A 34 LEU HD22 . 36786 1 347 . 1 . 1 34 34 LEU HD23 H 1 0.817 0.030 . 2 . . . . A 34 LEU HD23 . 36786 1 348 . 1 . 1 34 34 LEU HG H 1 1.393 0.030 . 1 . . . . A 34 LEU HG . 36786 1 349 . 1 . 1 34 34 LEU C C 13 178.194 0.300 . 1 . . . . A 34 LEU C . 36786 1 350 . 1 . 1 34 34 LEU CA C 13 59.313 0.300 . 1 . . . . A 34 LEU CA . 36786 1 351 . 1 . 1 34 34 LEU CB C 13 41.437 0.300 . 1 . . . . A 34 LEU CB . 36786 1 352 . 1 . 1 34 34 LEU CD1 C 13 24.041 0.300 . 2 . . . . A 34 LEU CD1 . 36786 1 353 . 1 . 1 34 34 LEU CD2 C 13 25.945 0.300 . 2 . . . . A 34 LEU CD2 . 36786 1 354 . 1 . 1 34 34 LEU CG C 13 27.378 0.300 . 1 . . . . A 34 LEU CG . 36786 1 355 . 1 . 1 34 34 LEU N N 15 122.423 0.300 . 1 . . . . A 34 LEU N . 36786 1 356 . 1 . 1 35 35 TYR H H 1 8.171 0.030 . 1 . . . . A 35 TYR H . 36786 1 357 . 1 . 1 35 35 TYR HA H 1 4.339 0.030 . 1 . . . . A 35 TYR HA . 36786 1 358 . 1 . 1 35 35 TYR HB2 H 1 3.032 0.030 . 2 . . . . A 35 TYR HB2 . 36786 1 359 . 1 . 1 35 35 TYR HB3 H 1 3.280 0.030 . 2 . . . . A 35 TYR HB3 . 36786 1 360 . 1 . 1 35 35 TYR HD1 H 1 7.174 0.030 . 1 . . . . A 35 TYR HD1 . 36786 1 361 . 1 . 1 35 35 TYR HD2 H 1 7.174 0.030 . 1 . . . . A 35 TYR HD2 . 36786 1 362 . 1 . 1 35 35 TYR HE1 H 1 6.795 0.030 . 1 . . . . A 35 TYR HE1 . 36786 1 363 . 1 . 1 35 35 TYR HE2 H 1 6.795 0.030 . 1 . . . . A 35 TYR HE2 . 36786 1 364 . 1 . 1 35 35 TYR C C 13 178.573 0.300 . 1 . . . . A 35 TYR C . 36786 1 365 . 1 . 1 35 35 TYR CA C 13 61.065 0.300 . 1 . . . . A 35 TYR CA . 36786 1 366 . 1 . 1 35 35 TYR CB C 13 36.901 0.300 . 1 . . . . A 35 TYR CB . 36786 1 367 . 1 . 1 35 35 TYR CD1 C 13 132.508 0.300 . 1 . . . . A 35 TYR CD1 . 36786 1 368 . 1 . 1 35 35 TYR CD2 C 13 132.508 0.300 . 1 . . . . A 35 TYR CD2 . 36786 1 369 . 1 . 1 35 35 TYR CE1 C 13 118.133 0.300 . 1 . . . . A 35 TYR CE1 . 36786 1 370 . 1 . 1 35 35 TYR CE2 C 13 118.133 0.300 . 1 . . . . A 35 TYR CE2 . 36786 1 371 . 1 . 1 35 35 TYR N N 15 117.225 0.300 . 1 . . . . A 35 TYR N . 36786 1 372 . 1 . 1 36 36 SER H H 1 8.110 0.030 . 1 . . . . A 36 SER H . 36786 1 373 . 1 . 1 36 36 SER HA H 1 4.396 0.030 . 1 . . . . A 36 SER HA . 36786 1 374 . 1 . 1 36 36 SER HB2 H 1 4.078 0.030 . 1 . . . . A 36 SER HB2 . 36786 1 375 . 1 . 1 36 36 SER HB3 H 1 4.078 0.030 . 1 . . . . A 36 SER HB3 . 36786 1 376 . 1 . 1 36 36 SER C C 13 178.037 0.300 . 1 . . . . A 36 SER C . 36786 1 377 . 1 . 1 36 36 SER CA C 13 61.773 0.300 . 1 . . . . A 36 SER CA . 36786 1 378 . 1 . 1 36 36 SER CB C 13 62.834 0.300 . 1 . . . . A 36 SER CB . 36786 1 379 . 1 . 1 36 36 SER N N 15 115.041 0.300 . 1 . . . . A 36 SER N . 36786 1 380 . 1 . 1 37 37 CYS H H 1 8.465 0.030 . 1 . . . . A 37 CYS H . 36786 1 381 . 1 . 1 37 37 CYS HA H 1 4.236 0.030 . 1 . . . . A 37 CYS HA . 36786 1 382 . 1 . 1 37 37 CYS HB2 H 1 2.528 0.030 . 2 . . . . A 37 CYS HB2 . 36786 1 383 . 1 . 1 37 37 CYS HB3 H 1 3.400 0.030 . 2 . . . . A 37 CYS HB3 . 36786 1 384 . 1 . 1 37 37 CYS C C 13 176.891 0.300 . 1 . . . . A 37 CYS C . 36786 1 385 . 1 . 1 37 37 CYS CA C 13 64.387 0.300 . 1 . . . . A 37 CYS CA . 36786 1 386 . 1 . 1 37 37 CYS CB C 13 28.100 0.300 . 1 . . . . A 37 CYS CB . 36786 1 387 . 1 . 1 37 37 CYS N N 15 120.331 0.300 . 1 . . . . A 37 CYS N . 36786 1 388 . 1 . 1 38 38 LEU H H 1 8.837 0.030 . 1 . . . . A 38 LEU H . 36786 1 389 . 1 . 1 38 38 LEU HA H 1 3.844 0.030 . 1 . . . . A 38 LEU HA . 36786 1 390 . 1 . 1 38 38 LEU HB2 H 1 1.560 0.030 . 2 . . . . A 38 LEU HB2 . 36786 1 391 . 1 . 1 38 38 LEU HB3 H 1 1.829 0.030 . 2 . . . . A 38 LEU HB3 . 36786 1 392 . 1 . 1 38 38 LEU HD11 H 1 0.821 0.030 . 2 . . . . A 38 LEU HD11 . 36786 1 393 . 1 . 1 38 38 LEU HD12 H 1 0.821 0.030 . 2 . . . . A 38 LEU HD12 . 36786 1 394 . 1 . 1 38 38 LEU HD13 H 1 0.821 0.030 . 2 . . . . A 38 LEU HD13 . 36786 1 395 . 1 . 1 38 38 LEU HD21 H 1 0.808 0.030 . 2 . . . . A 38 LEU HD21 . 36786 1 396 . 1 . 1 38 38 LEU HD22 H 1 0.808 0.030 . 2 . . . . A 38 LEU HD22 . 36786 1 397 . 1 . 1 38 38 LEU HD23 H 1 0.808 0.030 . 2 . . . . A 38 LEU HD23 . 36786 1 398 . 1 . 1 38 38 LEU HG H 1 1.608 0.030 . 1 . . . . A 38 LEU HG . 36786 1 399 . 1 . 1 38 38 LEU C C 13 178.367 0.300 . 1 . . . . A 38 LEU C . 36786 1 400 . 1 . 1 38 38 LEU CA C 13 58.853 0.300 . 1 . . . . A 38 LEU CA . 36786 1 401 . 1 . 1 38 38 LEU CB C 13 42.173 0.300 . 1 . . . . A 38 LEU CB . 36786 1 402 . 1 . 1 38 38 LEU CD1 C 13 25.420 0.300 . 2 . . . . A 38 LEU CD1 . 36786 1 403 . 1 . 1 38 38 LEU CD2 C 13 25.309 0.300 . 2 . . . . A 38 LEU CD2 . 36786 1 404 . 1 . 1 38 38 LEU CG C 13 27.158 0.300 . 1 . . . . A 38 LEU CG . 36786 1 405 . 1 . 1 38 38 LEU N N 15 122.274 0.300 . 1 . . . . A 38 LEU N . 36786 1 406 . 1 . 1 39 39 ASP H H 1 8.030 0.030 . 1 . . . . A 39 ASP H . 36786 1 407 . 1 . 1 39 39 ASP HA H 1 4.360 0.030 . 1 . . . . A 39 ASP HA . 36786 1 408 . 1 . 1 39 39 ASP HB2 H 1 2.690 0.030 . 2 . . . . A 39 ASP HB2 . 36786 1 409 . 1 . 1 39 39 ASP HB3 H 1 2.800 0.030 . 2 . . . . A 39 ASP HB3 . 36786 1 410 . 1 . 1 39 39 ASP C C 13 179.176 0.300 . 1 . . . . A 39 ASP C . 36786 1 411 . 1 . 1 39 39 ASP CA C 13 57.714 0.300 . 1 . . . . A 39 ASP CA . 36786 1 412 . 1 . 1 39 39 ASP CB C 13 40.283 0.300 . 1 . . . . A 39 ASP CB . 36786 1 413 . 1 . 1 39 39 ASP N N 15 118.723 0.300 . 1 . . . . A 39 ASP N . 36786 1 414 . 1 . 1 40 40 HIS H H 1 7.734 0.030 . 1 . . . . A 40 HIS H . 36786 1 415 . 1 . 1 40 40 HIS HA H 1 4.440 0.030 . 1 . . . . A 40 HIS HA . 36786 1 416 . 1 . 1 40 40 HIS HB2 H 1 3.308 0.030 . 1 . . . . A 40 HIS HB2 . 36786 1 417 . 1 . 1 40 40 HIS HB3 H 1 3.308 0.030 . 1 . . . . A 40 HIS HB3 . 36786 1 418 . 1 . 1 40 40 HIS HD2 H 1 6.799 0.030 . 1 . . . . A 40 HIS HD2 . 36786 1 419 . 1 . 1 40 40 HIS HE1 H 1 7.849 0.030 . 1 . . . . A 40 HIS HE1 . 36786 1 420 . 1 . 1 40 40 HIS C C 13 178.062 0.300 . 1 . . . . A 40 HIS C . 36786 1 421 . 1 . 1 40 40 HIS CA C 13 59.098 0.300 . 1 . . . . A 40 HIS CA . 36786 1 422 . 1 . 1 40 40 HIS CB C 13 30.263 0.300 . 1 . . . . A 40 HIS CB . 36786 1 423 . 1 . 1 40 40 HIS CD2 C 13 120.320 0.300 . 1 . . . . A 40 HIS CD2 . 36786 1 424 . 1 . 1 40 40 HIS CE1 C 13 138.445 0.300 . 1 . . . . A 40 HIS CE1 . 36786 1 425 . 1 . 1 40 40 HIS N N 15 118.456 0.300 . 1 . . . . A 40 HIS N . 36786 1 426 . 1 . 1 41 41 MET H H 1 8.532 0.030 . 1 . . . . A 41 MET H . 36786 1 427 . 1 . 1 41 41 MET HA H 1 3.868 0.030 . 1 . . . . A 41 MET HA . 36786 1 428 . 1 . 1 41 41 MET HB2 H 1 2.071 0.030 . 2 . . . . A 41 MET HB2 . 36786 1 429 . 1 . 1 41 41 MET HB3 H 1 2.210 0.030 . 2 . . . . A 41 MET HB3 . 36786 1 430 . 1 . 1 41 41 MET HE1 H 1 1.856 0.030 . 1 . . . . A 41 MET HE1 . 36786 1 431 . 1 . 1 41 41 MET HE2 H 1 1.856 0.030 . 1 . . . . A 41 MET HE2 . 36786 1 432 . 1 . 1 41 41 MET HE3 H 1 1.856 0.030 . 1 . . . . A 41 MET HE3 . 36786 1 433 . 1 . 1 41 41 MET HG2 H 1 2.204 0.030 . 2 . . . . A 41 MET HG2 . 36786 1 434 . 1 . 1 41 41 MET HG3 H 1 2.992 0.030 . 2 . . . . A 41 MET HG3 . 36786 1 435 . 1 . 1 41 41 MET C C 13 178.244 0.300 . 1 . . . . A 41 MET C . 36786 1 436 . 1 . 1 41 41 MET CA C 13 60.286 0.300 . 1 . . . . A 41 MET CA . 36786 1 437 . 1 . 1 41 41 MET CB C 13 34.087 0.300 . 1 . . . . A 41 MET CB . 36786 1 438 . 1 . 1 41 41 MET CE C 13 17.755 0.300 . 1 . . . . A 41 MET CE . 36786 1 439 . 1 . 1 41 41 MET CG C 13 33.647 0.300 . 1 . . . . A 41 MET CG . 36786 1 440 . 1 . 1 41 41 MET N N 15 116.879 0.300 . 1 . . . . A 41 MET N . 36786 1 441 . 1 . 1 42 42 ARG H H 1 8.739 0.030 . 1 . . . . A 42 ARG H . 36786 1 442 . 1 . 1 42 42 ARG HA H 1 4.070 0.030 . 1 . . . . A 42 ARG HA . 36786 1 443 . 1 . 1 42 42 ARG HB2 H 1 1.962 0.030 . 2 . . . . A 42 ARG HB2 . 36786 1 444 . 1 . 1 42 42 ARG HB3 H 1 1.820 0.030 . 2 . . . . A 42 ARG HB3 . 36786 1 445 . 1 . 1 42 42 ARG HD2 H 1 3.267 0.030 . 2 . . . . A 42 ARG HD2 . 36786 1 446 . 1 . 1 42 42 ARG HD3 H 1 3.100 0.030 . 2 . . . . A 42 ARG HD3 . 36786 1 447 . 1 . 1 42 42 ARG HE H 1 7.579 0.030 . 1 . . . . A 42 ARG HE . 36786 1 448 . 1 . 1 42 42 ARG HG2 H 1 1.639 0.030 . 2 . . . . A 42 ARG HG2 . 36786 1 449 . 1 . 1 42 42 ARG HG3 H 1 1.831 0.030 . 2 . . . . A 42 ARG HG3 . 36786 1 450 . 1 . 1 42 42 ARG C C 13 179.407 0.300 . 1 . . . . A 42 ARG C . 36786 1 451 . 1 . 1 42 42 ARG CA C 13 59.344 0.300 . 1 . . . . A 42 ARG CA . 36786 1 452 . 1 . 1 42 42 ARG CB C 13 29.870 0.300 . 1 . . . . A 42 ARG CB . 36786 1 453 . 1 . 1 42 42 ARG CD C 13 43.114 0.300 . 1 . . . . A 42 ARG CD . 36786 1 454 . 1 . 1 42 42 ARG CG C 13 28.105 0.300 . 1 . . . . A 42 ARG CG . 36786 1 455 . 1 . 1 42 42 ARG N N 15 118.321 0.300 . 1 . . . . A 42 ARG N . 36786 1 456 . 1 . 1 42 42 ARG NE N 15 85.058 0.300 . 1 . . . . A 42 ARG NE . 36786 1 457 . 1 . 1 43 43 GLU H H 1 7.682 0.030 . 1 . . . . A 43 GLU H . 36786 1 458 . 1 . 1 43 43 GLU HA H 1 3.997 0.030 . 1 . . . . A 43 GLU HA . 36786 1 459 . 1 . 1 43 43 GLU HB2 H 1 2.134 0.030 . 2 . . . . A 43 GLU HB2 . 36786 1 460 . 1 . 1 43 43 GLU HB3 H 1 2.224 0.030 . 2 . . . . A 43 GLU HB3 . 36786 1 461 . 1 . 1 43 43 GLU HG2 H 1 2.228 0.030 . 2 . . . . A 43 GLU HG2 . 36786 1 462 . 1 . 1 43 43 GLU HG3 H 1 2.410 0.030 . 2 . . . . A 43 GLU HG3 . 36786 1 463 . 1 . 1 43 43 GLU C C 13 178.087 0.300 . 1 . . . . A 43 GLU C . 36786 1 464 . 1 . 1 43 43 GLU CA C 13 59.428 0.300 . 1 . . . . A 43 GLU CA . 36786 1 465 . 1 . 1 43 43 GLU CB C 13 29.368 0.300 . 1 . . . . A 43 GLU CB . 36786 1 466 . 1 . 1 43 43 GLU CG C 13 36.326 0.300 . 1 . . . . A 43 GLU CG . 36786 1 467 . 1 . 1 43 43 GLU N N 15 120.453 0.300 . 1 . . . . A 43 GLU N . 36786 1 468 . 1 . 1 44 44 VAL H H 1 7.229 0.030 . 1 . . . . A 44 VAL H . 36786 1 469 . 1 . 1 44 44 VAL HA H 1 3.869 0.030 . 1 . . . . A 44 VAL HA . 36786 1 470 . 1 . 1 44 44 VAL HB H 1 2.010 0.030 . 1 . . . . A 44 VAL HB . 36786 1 471 . 1 . 1 44 44 VAL HG11 H 1 0.898 0.030 . 2 . . . . A 44 VAL HG11 . 36786 1 472 . 1 . 1 44 44 VAL HG12 H 1 0.898 0.030 . 2 . . . . A 44 VAL HG12 . 36786 1 473 . 1 . 1 44 44 VAL HG13 H 1 0.898 0.030 . 2 . . . . A 44 VAL HG13 . 36786 1 474 . 1 . 1 44 44 VAL HG21 H 1 0.910 0.030 . 2 . . . . A 44 VAL HG21 . 36786 1 475 . 1 . 1 44 44 VAL HG22 H 1 0.910 0.030 . 2 . . . . A 44 VAL HG22 . 36786 1 476 . 1 . 1 44 44 VAL HG23 H 1 0.910 0.030 . 2 . . . . A 44 VAL HG23 . 36786 1 477 . 1 . 1 44 44 VAL C C 13 177.889 0.300 . 1 . . . . A 44 VAL C . 36786 1 478 . 1 . 1 44 44 VAL CA C 13 64.725 0.300 . 1 . . . . A 44 VAL CA . 36786 1 479 . 1 . 1 44 44 VAL CB C 13 33.026 0.300 . 1 . . . . A 44 VAL CB . 36786 1 480 . 1 . 1 44 44 VAL CG1 C 13 21.523 0.300 . 2 . . . . A 44 VAL CG1 . 36786 1 481 . 1 . 1 44 44 VAL CG2 C 13 21.523 0.300 . 2 . . . . A 44 VAL CG2 . 36786 1 482 . 1 . 1 44 44 VAL N N 15 116.043 0.300 . 1 . . . . A 44 VAL N . 36786 1 483 . 1 . 1 45 45 LEU H H 1 8.441 0.030 . 1 . . . . A 45 LEU H . 36786 1 484 . 1 . 1 45 45 LEU HA H 1 4.300 0.030 . 1 . . . . A 45 LEU HA . 36786 1 485 . 1 . 1 45 45 LEU HB2 H 1 1.500 0.030 . 2 . . . . A 45 LEU HB2 . 36786 1 486 . 1 . 1 45 45 LEU HB3 H 1 1.818 0.030 . 2 . . . . A 45 LEU HB3 . 36786 1 487 . 1 . 1 45 45 LEU HD11 H 1 0.801 0.030 . 2 . . . . A 45 LEU HD11 . 36786 1 488 . 1 . 1 45 45 LEU HD12 H 1 0.801 0.030 . 2 . . . . A 45 LEU HD12 . 36786 1 489 . 1 . 1 45 45 LEU HD13 H 1 0.801 0.030 . 2 . . . . A 45 LEU HD13 . 36786 1 490 . 1 . 1 45 45 LEU HD21 H 1 0.820 0.030 . 2 . . . . A 45 LEU HD21 . 36786 1 491 . 1 . 1 45 45 LEU HD22 H 1 0.820 0.030 . 2 . . . . A 45 LEU HD22 . 36786 1 492 . 1 . 1 45 45 LEU HD23 H 1 0.820 0.030 . 2 . . . . A 45 LEU HD23 . 36786 1 493 . 1 . 1 45 45 LEU HG H 1 1.651 0.030 . 1 . . . . A 45 LEU HG . 36786 1 494 . 1 . 1 45 45 LEU C C 13 178.903 0.300 . 1 . . . . A 45 LEU C . 36786 1 495 . 1 . 1 45 45 LEU CA C 13 55.368 0.300 . 1 . . . . A 45 LEU CA . 36786 1 496 . 1 . 1 45 45 LEU CB C 13 43.756 0.300 . 1 . . . . A 45 LEU CB . 36786 1 497 . 1 . 1 45 45 LEU CD1 C 13 27.392 0.300 . 2 . . . . A 45 LEU CD1 . 36786 1 498 . 1 . 1 45 45 LEU CD2 C 13 22.893 0.300 . 2 . . . . A 45 LEU CD2 . 36786 1 499 . 1 . 1 45 45 LEU CG C 13 26.882 0.300 . 1 . . . . A 45 LEU CG . 36786 1 500 . 1 . 1 45 45 LEU N N 15 117.278 0.300 . 1 . . . . A 45 LEU N . 36786 1 501 . 1 . 1 46 46 GLY H H 1 8.344 0.030 . 1 . . . . A 46 GLY H . 36786 1 502 . 1 . 1 46 46 GLY HA2 H 1 4.072 0.030 . 2 . . . . A 46 GLY HA2 . 36786 1 503 . 1 . 1 46 46 GLY HA3 H 1 3.846 0.030 . 2 . . . . A 46 GLY HA3 . 36786 1 504 . 1 . 1 46 46 GLY C C 13 174.358 0.300 . 1 . . . . A 46 GLY C . 36786 1 505 . 1 . 1 46 46 GLY CA C 13 46.022 0.300 . 1 . . . . A 46 GLY CA . 36786 1 506 . 1 . 1 46 46 GLY N N 15 110.715 0.300 . 1 . . . . A 46 GLY N . 36786 1 507 . 1 . 1 47 47 ASP H H 1 8.320 0.030 . 1 . . . . A 47 ASP H . 36786 1 508 . 1 . 1 47 47 ASP HA H 1 4.621 0.030 . 1 . . . . A 47 ASP HA . 36786 1 509 . 1 . 1 47 47 ASP HB2 H 1 2.659 0.030 . 2 . . . . A 47 ASP HB2 . 36786 1 510 . 1 . 1 47 47 ASP HB3 H 1 2.706 0.030 . 2 . . . . A 47 ASP HB3 . 36786 1 511 . 1 . 1 47 47 ASP C C 13 176.932 0.300 . 1 . . . . A 47 ASP C . 36786 1 512 . 1 . 1 47 47 ASP CA C 13 53.922 0.300 . 1 . . . . A 47 ASP CA . 36786 1 513 . 1 . 1 47 47 ASP CB C 13 41.072 0.300 . 1 . . . . A 47 ASP CB . 36786 1 514 . 1 . 1 47 47 ASP N N 15 121.563 0.300 . 1 . . . . A 47 ASP N . 36786 1 515 . 1 . 1 48 48 ALA H H 1 7.674 0.030 . 1 . . . . A 48 ALA H . 36786 1 516 . 1 . 1 48 48 ALA HA H 1 4.101 0.030 . 1 . . . . A 48 ALA HA . 36786 1 517 . 1 . 1 48 48 ALA HB1 H 1 1.469 0.030 . 1 . . . . A 48 ALA HB1 . 36786 1 518 . 1 . 1 48 48 ALA HB2 H 1 1.469 0.030 . 1 . . . . A 48 ALA HB2 . 36786 1 519 . 1 . 1 48 48 ALA HB3 H 1 1.469 0.030 . 1 . . . . A 48 ALA HB3 . 36786 1 520 . 1 . 1 48 48 ALA C C 13 177.905 0.300 . 1 . . . . A 48 ALA C . 36786 1 521 . 1 . 1 48 48 ALA CA C 13 54.763 0.300 . 1 . . . . A 48 ALA CA . 36786 1 522 . 1 . 1 48 48 ALA CB C 13 19.867 0.300 . 1 . . . . A 48 ALA CB . 36786 1 523 . 1 . 1 48 48 ALA N N 15 121.018 0.300 . 1 . . . . A 48 ALA N . 36786 1 524 . 1 . 1 49 49 VAL H H 1 8.053 0.030 . 1 . . . . A 49 VAL H . 36786 1 525 . 1 . 1 49 49 VAL HA H 1 4.518 0.030 . 1 . . . . A 49 VAL HA . 36786 1 526 . 1 . 1 49 49 VAL HB H 1 1.885 0.030 . 1 . . . . A 49 VAL HB . 36786 1 527 . 1 . 1 49 49 VAL HG11 H 1 1.008 0.030 . 2 . . . . A 49 VAL HG11 . 36786 1 528 . 1 . 1 49 49 VAL HG12 H 1 1.008 0.030 . 2 . . . . A 49 VAL HG12 . 36786 1 529 . 1 . 1 49 49 VAL HG13 H 1 1.008 0.030 . 2 . . . . A 49 VAL HG13 . 36786 1 530 . 1 . 1 49 49 VAL HG21 H 1 0.861 0.030 . 2 . . . . A 49 VAL HG21 . 36786 1 531 . 1 . 1 49 49 VAL HG22 H 1 0.861 0.030 . 2 . . . . A 49 VAL HG22 . 36786 1 532 . 1 . 1 49 49 VAL HG23 H 1 0.861 0.030 . 2 . . . . A 49 VAL HG23 . 36786 1 533 . 1 . 1 49 49 VAL C C 13 173.954 0.300 . 1 . . . . A 49 VAL C . 36786 1 534 . 1 . 1 49 49 VAL CA C 13 59.098 0.300 . 1 . . . . A 49 VAL CA . 36786 1 535 . 1 . 1 49 49 VAL CB C 13 33.953 0.300 . 1 . . . . A 49 VAL CB . 36786 1 536 . 1 . 1 49 49 VAL CG1 C 13 21.227 0.300 . 2 . . . . A 49 VAL CG1 . 36786 1 537 . 1 . 1 49 49 VAL CG2 C 13 21.238 0.300 . 2 . . . . A 49 VAL CG2 . 36786 1 538 . 1 . 1 49 49 VAL N N 15 118.114 0.300 . 1 . . . . A 49 VAL N . 36786 1 539 . 1 . 1 50 50 PRO HA H 1 4.470 0.030 . 1 . . . . A 50 PRO HA . 36786 1 540 . 1 . 1 50 50 PRO HB2 H 1 2.144 0.030 . 2 . . . . A 50 PRO HB2 . 36786 1 541 . 1 . 1 50 50 PRO HB3 H 1 2.465 0.030 . 2 . . . . A 50 PRO HB3 . 36786 1 542 . 1 . 1 50 50 PRO HD2 H 1 3.967 0.030 . 2 . . . . A 50 PRO HD2 . 36786 1 543 . 1 . 1 50 50 PRO HD3 H 1 3.658 0.030 . 2 . . . . A 50 PRO HD3 . 36786 1 544 . 1 . 1 50 50 PRO HG2 H 1 2.102 0.030 . 2 . . . . A 50 PRO HG2 . 36786 1 545 . 1 . 1 50 50 PRO HG3 H 1 2.061 0.030 . 2 . . . . A 50 PRO HG3 . 36786 1 546 . 1 . 1 50 50 PRO CA C 13 63.094 0.300 . 1 . . . . A 50 PRO CA . 36786 1 547 . 1 . 1 50 50 PRO CB C 13 33.308 0.300 . 1 . . . . A 50 PRO CB . 36786 1 548 . 1 . 1 50 50 PRO CD C 13 51.779 0.300 . 1 . . . . A 50 PRO CD . 36786 1 549 . 1 . 1 50 50 PRO CG C 13 27.690 0.300 . 1 . . . . A 50 PRO CG . 36786 1 550 . 1 . 1 51 51 ASP H H 1 8.851 0.030 . 1 . . . . A 51 ASP H . 36786 1 551 . 1 . 1 51 51 ASP HA H 1 4.233 0.030 . 1 . . . . A 51 ASP HA . 36786 1 552 . 1 . 1 51 51 ASP HB2 H 1 2.666 0.030 . 2 . . . . A 51 ASP HB2 . 36786 1 553 . 1 . 1 51 51 ASP HB3 H 1 2.575 0.030 . 2 . . . . A 51 ASP HB3 . 36786 1 554 . 1 . 1 51 51 ASP C C 13 178.763 0.300 . 1 . . . . A 51 ASP C . 36786 1 555 . 1 . 1 51 51 ASP CA C 13 57.713 0.300 . 1 . . . . A 51 ASP CA . 36786 1 556 . 1 . 1 51 51 ASP CB C 13 40.648 0.300 . 1 . . . . A 51 ASP CB . 36786 1 557 . 1 . 1 51 51 ASP N N 15 121.153 0.300 . 1 . . . . A 51 ASP N . 36786 1 558 . 1 . 1 52 52 ASP H H 1 9.063 0.030 . 1 . . . . A 52 ASP H . 36786 1 559 . 1 . 1 52 52 ASP HA H 1 4.300 0.030 . 1 . . . . A 52 ASP HA . 36786 1 560 . 1 . 1 52 52 ASP HB2 H 1 2.584 0.030 . 2 . . . . A 52 ASP HB2 . 36786 1 561 . 1 . 1 52 52 ASP HB3 H 1 2.720 0.030 . 2 . . . . A 52 ASP HB3 . 36786 1 562 . 1 . 1 52 52 ASP C C 13 178.375 0.300 . 1 . . . . A 52 ASP C . 36786 1 563 . 1 . 1 52 52 ASP CA C 13 57.284 0.300 . 1 . . . . A 52 ASP CA . 36786 1 564 . 1 . 1 52 52 ASP CB C 13 39.026 0.300 . 1 . . . . A 52 ASP CB . 36786 1 565 . 1 . 1 52 52 ASP N N 15 119.403 0.300 . 1 . . . . A 52 ASP N . 36786 1 566 . 1 . 1 53 53 ILE H H 1 7.199 0.030 . 1 . . . . A 53 ILE H . 36786 1 567 . 1 . 1 53 53 ILE HA H 1 3.818 0.030 . 1 . . . . A 53 ILE HA . 36786 1 568 . 1 . 1 53 53 ILE HB H 1 1.927 0.030 . 1 . . . . A 53 ILE HB . 36786 1 569 . 1 . 1 53 53 ILE HD11 H 1 0.825 0.030 . 1 . . . . A 53 ILE HD11 . 36786 1 570 . 1 . 1 53 53 ILE HD12 H 1 0.825 0.030 . 1 . . . . A 53 ILE HD12 . 36786 1 571 . 1 . 1 53 53 ILE HD13 H 1 0.825 0.030 . 1 . . . . A 53 ILE HD13 . 36786 1 572 . 1 . 1 53 53 ILE HG12 H 1 1.293 0.030 . 2 . . . . A 53 ILE HG12 . 36786 1 573 . 1 . 1 53 53 ILE HG13 H 1 1.573 0.030 . 2 . . . . A 53 ILE HG13 . 36786 1 574 . 1 . 1 53 53 ILE HG21 H 1 0.843 0.030 . 1 . . . . A 53 ILE HG21 . 36786 1 575 . 1 . 1 53 53 ILE HG22 H 1 0.843 0.030 . 1 . . . . A 53 ILE HG22 . 36786 1 576 . 1 . 1 53 53 ILE HG23 H 1 0.843 0.030 . 1 . . . . A 53 ILE HG23 . 36786 1 577 . 1 . 1 53 53 ILE C C 13 179.027 0.300 . 1 . . . . A 53 ILE C . 36786 1 578 . 1 . 1 53 53 ILE CA C 13 63.187 0.300 . 1 . . . . A 53 ILE CA . 36786 1 579 . 1 . 1 53 53 ILE CB C 13 37.275 0.300 . 1 . . . . A 53 ILE CB . 36786 1 580 . 1 . 1 53 53 ILE CD1 C 13 11.302 0.300 . 1 . . . . A 53 ILE CD1 . 36786 1 581 . 1 . 1 53 53 ILE CG1 C 13 28.101 0.300 . 1 . . . . A 53 ILE CG1 . 36786 1 582 . 1 . 1 53 53 ILE CG2 C 13 17.140 0.300 . 1 . . . . A 53 ILE CG2 . 36786 1 583 . 1 . 1 53 53 ILE N N 15 122.265 0.300 . 1 . . . . A 53 ILE N . 36786 1 584 . 1 . 1 54 54 LEU H H 1 7.520 0.030 . 1 . . . . A 54 LEU H . 36786 1 585 . 1 . 1 54 54 LEU HA H 1 3.782 0.030 . 1 . . . . A 54 LEU HA . 36786 1 586 . 1 . 1 54 54 LEU HB2 H 1 1.410 0.030 . 2 . . . . A 54 LEU HB2 . 36786 1 587 . 1 . 1 54 54 LEU HB3 H 1 1.940 0.030 . 2 . . . . A 54 LEU HB3 . 36786 1 588 . 1 . 1 54 54 LEU HD11 H 1 0.760 0.030 . 2 . . . . A 54 LEU HD11 . 36786 1 589 . 1 . 1 54 54 LEU HD12 H 1 0.760 0.030 . 2 . . . . A 54 LEU HD12 . 36786 1 590 . 1 . 1 54 54 LEU HD13 H 1 0.760 0.030 . 2 . . . . A 54 LEU HD13 . 36786 1 591 . 1 . 1 54 54 LEU HD21 H 1 0.890 0.030 . 2 . . . . A 54 LEU HD21 . 36786 1 592 . 1 . 1 54 54 LEU HD22 H 1 0.890 0.030 . 2 . . . . A 54 LEU HD22 . 36786 1 593 . 1 . 1 54 54 LEU HD23 H 1 0.890 0.030 . 2 . . . . A 54 LEU HD23 . 36786 1 594 . 1 . 1 54 54 LEU HG H 1 1.767 0.030 . 1 . . . . A 54 LEU HG . 36786 1 595 . 1 . 1 54 54 LEU C C 13 178.293 0.300 . 1 . . . . A 54 LEU C . 36786 1 596 . 1 . 1 54 54 LEU CA C 13 58.299 0.300 . 1 . . . . A 54 LEU CA . 36786 1 597 . 1 . 1 54 54 LEU CB C 13 41.858 0.300 . 1 . . . . A 54 LEU CB . 36786 1 598 . 1 . 1 54 54 LEU CD1 C 13 23.495 0.300 . 2 . . . . A 54 LEU CD1 . 36786 1 599 . 1 . 1 54 54 LEU CD2 C 13 25.632 0.300 . 2 . . . . A 54 LEU CD2 . 36786 1 600 . 1 . 1 54 54 LEU CG C 13 26.082 0.300 . 1 . . . . A 54 LEU CG . 36786 1 601 . 1 . 1 54 54 LEU N N 15 118.675 0.300 . 1 . . . . A 54 LEU N . 36786 1 602 . 1 . 1 55 55 THR H H 1 8.633 0.030 . 1 . . . . A 55 THR H . 36786 1 603 . 1 . 1 55 55 THR HA H 1 3.589 0.030 . 1 . . . . A 55 THR HA . 36786 1 604 . 1 . 1 55 55 THR HB H 1 4.209 0.030 . 1 . . . . A 55 THR HB . 36786 1 605 . 1 . 1 55 55 THR HG21 H 1 1.149 0.030 . 1 . . . . A 55 THR HG21 . 36786 1 606 . 1 . 1 55 55 THR HG22 H 1 1.149 0.030 . 1 . . . . A 55 THR HG22 . 36786 1 607 . 1 . 1 55 55 THR HG23 H 1 1.149 0.030 . 1 . . . . A 55 THR HG23 . 36786 1 608 . 1 . 1 55 55 THR CA C 13 67.481 0.300 . 1 . . . . A 55 THR CA . 36786 1 609 . 1 . 1 55 55 THR CB C 13 68.822 0.300 . 1 . . . . A 55 THR CB . 36786 1 610 . 1 . 1 55 55 THR CG2 C 13 21.364 0.300 . 1 . . . . A 55 THR CG2 . 36786 1 611 . 1 . 1 55 55 THR N N 15 113.950 0.300 . 1 . . . . A 55 THR N . 36786 1 612 . 1 . 1 56 56 GLU H H 1 7.464 0.030 . 1 . . . . A 56 GLU H . 36786 1 613 . 1 . 1 56 56 GLU HA H 1 3.853 0.030 . 1 . . . . A 56 GLU HA . 36786 1 614 . 1 . 1 56 56 GLU HB2 H 1 2.021 0.030 . 2 . . . . A 56 GLU HB2 . 36786 1 615 . 1 . 1 56 56 GLU HB3 H 1 2.058 0.030 . 2 . . . . A 56 GLU HB3 . 36786 1 616 . 1 . 1 56 56 GLU HG2 H 1 2.220 0.030 . 2 . . . . A 56 GLU HG2 . 36786 1 617 . 1 . 1 56 56 GLU HG3 H 1 2.331 0.030 . 2 . . . . A 56 GLU HG3 . 36786 1 618 . 1 . 1 56 56 GLU C C 13 178.309 0.300 . 1 . . . . A 56 GLU C . 36786 1 619 . 1 . 1 56 56 GLU CA C 13 59.664 0.300 . 1 . . . . A 56 GLU CA . 36786 1 620 . 1 . 1 56 56 GLU CB C 13 29.439 0.300 . 1 . . . . A 56 GLU CB . 36786 1 621 . 1 . 1 56 56 GLU CG C 13 36.095 0.300 . 1 . . . . A 56 GLU CG . 36786 1 622 . 1 . 1 56 56 GLU N N 15 119.599 0.300 . 1 . . . . A 56 GLU N . 36786 1 623 . 1 . 1 57 57 ALA H H 1 7.435 0.030 . 1 . . . . A 57 ALA H . 36786 1 624 . 1 . 1 57 57 ALA HA H 1 4.132 0.030 . 1 . . . . A 57 ALA HA . 36786 1 625 . 1 . 1 57 57 ALA HB1 H 1 1.445 0.030 . 1 . . . . A 57 ALA HB1 . 36786 1 626 . 1 . 1 57 57 ALA HB2 H 1 1.445 0.030 . 1 . . . . A 57 ALA HB2 . 36786 1 627 . 1 . 1 57 57 ALA HB3 H 1 1.445 0.030 . 1 . . . . A 57 ALA HB3 . 36786 1 628 . 1 . 1 57 57 ALA C C 13 179.365 0.300 . 1 . . . . A 57 ALA C . 36786 1 629 . 1 . 1 57 57 ALA CA C 13 55.470 0.300 . 1 . . . . A 57 ALA CA . 36786 1 630 . 1 . 1 57 57 ALA CB C 13 18.305 0.300 . 1 . . . . A 57 ALA CB . 36786 1 631 . 1 . 1 57 57 ALA N N 15 120.361 0.300 . 1 . . . . A 57 ALA N . 36786 1 632 . 1 . 1 58 58 ILE H H 1 8.293 0.030 . 1 . . . . A 58 ILE H . 36786 1 633 . 1 . 1 58 58 ILE HA H 1 3.197 0.030 . 1 . . . . A 58 ILE HA . 36786 1 634 . 1 . 1 58 58 ILE HB H 1 1.686 0.030 . 1 . . . . A 58 ILE HB . 36786 1 635 . 1 . 1 58 58 ILE HD11 H 1 0.764 0.030 . 1 . . . . A 58 ILE HD11 . 36786 1 636 . 1 . 1 58 58 ILE HD12 H 1 0.764 0.030 . 1 . . . . A 58 ILE HD12 . 36786 1 637 . 1 . 1 58 58 ILE HD13 H 1 0.764 0.030 . 1 . . . . A 58 ILE HD13 . 36786 1 638 . 1 . 1 58 58 ILE HG12 H 1 1.750 0.030 . 2 . . . . A 58 ILE HG12 . 36786 1 639 . 1 . 1 58 58 ILE HG13 H 1 0.663 0.030 . 2 . . . . A 58 ILE HG13 . 36786 1 640 . 1 . 1 58 58 ILE HG21 H 1 0.740 0.030 . 1 . . . . A 58 ILE HG21 . 36786 1 641 . 1 . 1 58 58 ILE HG22 H 1 0.740 0.030 . 1 . . . . A 58 ILE HG22 . 36786 1 642 . 1 . 1 58 58 ILE HG23 H 1 0.740 0.030 . 1 . . . . A 58 ILE HG23 . 36786 1 643 . 1 . 1 58 58 ILE C C 13 177.295 0.300 . 1 . . . . A 58 ILE C . 36786 1 644 . 1 . 1 58 58 ILE CA C 13 65.083 0.300 . 1 . . . . A 58 ILE CA . 36786 1 645 . 1 . 1 58 58 ILE CB C 13 37.906 0.300 . 1 . . . . A 58 ILE CB . 36786 1 646 . 1 . 1 58 58 ILE CD1 C 13 14.860 0.300 . 1 . . . . A 58 ILE CD1 . 36786 1 647 . 1 . 1 58 58 ILE CG1 C 13 31.078 0.300 . 1 . . . . A 58 ILE CG1 . 36786 1 648 . 1 . 1 58 58 ILE CG2 C 13 20.729 0.300 . 1 . . . . A 58 ILE CG2 . 36786 1 649 . 1 . 1 58 58 ILE N N 15 118.079 0.300 . 1 . . . . A 58 ILE N . 36786 1 650 . 1 . 1 59 59 LEU H H 1 7.961 0.030 . 1 . . . . A 59 LEU H . 36786 1 651 . 1 . 1 59 59 LEU HA H 1 3.459 0.030 . 1 . . . . A 59 LEU HA . 36786 1 652 . 1 . 1 59 59 LEU HB2 H 1 1.158 0.030 . 2 . . . . A 59 LEU HB2 . 36786 1 653 . 1 . 1 59 59 LEU HB3 H 1 1.641 0.030 . 2 . . . . A 59 LEU HB3 . 36786 1 654 . 1 . 1 59 59 LEU HD11 H 1 0.599 0.030 . 2 . . . . A 59 LEU HD11 . 36786 1 655 . 1 . 1 59 59 LEU HD12 H 1 0.599 0.030 . 2 . . . . A 59 LEU HD12 . 36786 1 656 . 1 . 1 59 59 LEU HD13 H 1 0.599 0.030 . 2 . . . . A 59 LEU HD13 . 36786 1 657 . 1 . 1 59 59 LEU HD21 H 1 0.651 0.030 . 2 . . . . A 59 LEU HD21 . 36786 1 658 . 1 . 1 59 59 LEU HD22 H 1 0.651 0.030 . 2 . . . . A 59 LEU HD22 . 36786 1 659 . 1 . 1 59 59 LEU HD23 H 1 0.651 0.030 . 2 . . . . A 59 LEU HD23 . 36786 1 660 . 1 . 1 59 59 LEU HG H 1 1.666 0.030 . 1 . . . . A 59 LEU HG . 36786 1 661 . 1 . 1 59 59 LEU C C 13 174.309 0.300 . 1 . . . . A 59 LEU C . 36786 1 662 . 1 . 1 59 59 LEU CA C 13 57.315 0.300 . 1 . . . . A 59 LEU CA . 36786 1 663 . 1 . 1 59 59 LEU CB C 13 40.883 0.300 . 1 . . . . A 59 LEU CB . 36786 1 664 . 1 . 1 59 59 LEU CD1 C 13 23.194 0.300 . 2 . . . . A 59 LEU CD1 . 36786 1 665 . 1 . 1 59 59 LEU CD2 C 13 25.533 0.300 . 2 . . . . A 59 LEU CD2 . 36786 1 666 . 1 . 1 59 59 LEU CG C 13 26.624 0.300 . 1 . . . . A 59 LEU CG . 36786 1 667 . 1 . 1 59 59 LEU N N 15 117.964 0.300 . 1 . . . . A 59 LEU N . 36786 1 668 . 1 . 1 60 60 LYS H H 1 8.339 0.030 . 1 . . . . A 60 LYS H . 36786 1 669 . 1 . 1 60 60 LYS HA H 1 3.773 0.030 . 1 . . . . A 60 LYS HA . 36786 1 670 . 1 . 1 60 60 LYS HB2 H 1 1.458 0.030 . 2 . . . . A 60 LYS HB2 . 36786 1 671 . 1 . 1 60 60 LYS HB3 H 1 1.786 0.030 . 2 . . . . A 60 LYS HB3 . 36786 1 672 . 1 . 1 60 60 LYS HD2 H 1 1.513 0.030 . 2 . . . . A 60 LYS HD2 . 36786 1 673 . 1 . 1 60 60 LYS HD3 H 1 1.462 0.030 . 2 . . . . A 60 LYS HD3 . 36786 1 674 . 1 . 1 60 60 LYS HE2 H 1 2.811 0.030 . 1 . . . . A 60 LYS HE2 . 36786 1 675 . 1 . 1 60 60 LYS HE3 H 1 2.811 0.030 . 1 . . . . A 60 LYS HE3 . 36786 1 676 . 1 . 1 60 60 LYS HG2 H 1 0.809 0.030 . 2 . . . . A 60 LYS HG2 . 36786 1 677 . 1 . 1 60 60 LYS HG3 H 1 1.057 0.030 . 2 . . . . A 60 LYS HG3 . 36786 1 678 . 1 . 1 60 60 LYS C C 13 177.567 0.300 . 1 . . . . A 60 LYS C . 36786 1 679 . 1 . 1 60 60 LYS CA C 13 59.006 0.300 . 1 . . . . A 60 LYS CA . 36786 1 680 . 1 . 1 60 60 LYS CB C 13 32.220 0.300 . 1 . . . . A 60 LYS CB . 36786 1 681 . 1 . 1 60 60 LYS CD C 13 29.093 0.300 . 1 . . . . A 60 LYS CD . 36786 1 682 . 1 . 1 60 60 LYS CE C 13 41.948 0.300 . 1 . . . . A 60 LYS CE . 36786 1 683 . 1 . 1 60 60 LYS CG C 13 24.725 0.300 . 1 . . . . A 60 LYS CG . 36786 1 684 . 1 . 1 60 60 LYS N N 15 121.563 0.300 . 1 . . . . A 60 LYS N . 36786 1 685 . 1 . 1 61 61 HIS H H 1 7.156 0.030 . 1 . . . . A 61 HIS H . 36786 1 686 . 1 . 1 61 61 HIS HA H 1 4.602 0.030 . 1 . . . . A 61 HIS HA . 36786 1 687 . 1 . 1 61 61 HIS HB2 H 1 2.649 0.030 . 2 . . . . A 61 HIS HB2 . 36786 1 688 . 1 . 1 61 61 HIS HB3 H 1 3.413 0.030 . 2 . . . . A 61 HIS HB3 . 36786 1 689 . 1 . 1 61 61 HIS HD2 H 1 6.979 0.030 . 1 . . . . A 61 HIS HD2 . 36786 1 690 . 1 . 1 61 61 HIS HE1 H 1 7.656 0.030 . 1 . . . . A 61 HIS HE1 . 36786 1 691 . 1 . 1 61 61 HIS C C 13 174.672 0.300 . 1 . . . . A 61 HIS C . 36786 1 692 . 1 . 1 61 61 HIS CA C 13 56.258 0.300 . 1 . . . . A 61 HIS CA . 36786 1 693 . 1 . 1 61 61 HIS CB C 13 28.720 0.300 . 1 . . . . A 61 HIS CB . 36786 1 694 . 1 . 1 61 61 HIS CD2 C 13 120.945 0.300 . 1 . . . . A 61 HIS CD2 . 36786 1 695 . 1 . 1 61 61 HIS CE1 C 13 138.133 0.300 . 1 . . . . A 61 HIS CE1 . 36786 1 696 . 1 . 1 61 61 HIS N N 15 113.209 0.300 . 1 . . . . A 61 HIS N . 36786 1 697 . 1 . 1 62 62 LYS H H 1 7.616 0.030 . 1 . . . . A 62 LYS H . 36786 1 698 . 1 . 1 62 62 LYS HA H 1 3.419 0.030 . 1 . . . . A 62 LYS HA . 36786 1 699 . 1 . 1 62 62 LYS HB2 H 1 1.884 0.030 . 1 . . . . A 62 LYS HB2 . 36786 1 700 . 1 . 1 62 62 LYS HB3 H 1 1.884 0.030 . 1 . . . . A 62 LYS HB3 . 36786 1 701 . 1 . 1 62 62 LYS HD2 H 1 1.686 0.030 . 1 . . . . A 62 LYS HD2 . 36786 1 702 . 1 . 1 62 62 LYS HD3 H 1 1.686 0.030 . 1 . . . . A 62 LYS HD3 . 36786 1 703 . 1 . 1 62 62 LYS HE2 H 1 3.000 0.030 . 1 . . . . A 62 LYS HE2 . 36786 1 704 . 1 . 1 62 62 LYS HE3 H 1 3.000 0.030 . 1 . . . . A 62 LYS HE3 . 36786 1 705 . 1 . 1 62 62 LYS HG2 H 1 1.311 0.030 . 1 . . . . A 62 LYS HG2 . 36786 1 706 . 1 . 1 62 62 LYS HG3 H 1 1.311 0.030 . 1 . . . . A 62 LYS HG3 . 36786 1 707 . 1 . 1 62 62 LYS C C 13 175.909 0.300 . 1 . . . . A 62 LYS C . 36786 1 708 . 1 . 1 62 62 LYS CA C 13 57.284 0.300 . 1 . . . . A 62 LYS CA . 36786 1 709 . 1 . 1 62 62 LYS CB C 13 29.436 0.300 . 1 . . . . A 62 LYS CB . 36786 1 710 . 1 . 1 62 62 LYS CD C 13 29.152 0.300 . 1 . . . . A 62 LYS CD . 36786 1 711 . 1 . 1 62 62 LYS CE C 13 42.314 0.300 . 1 . . . . A 62 LYS CE . 36786 1 712 . 1 . 1 62 62 LYS CG C 13 24.953 0.300 . 1 . . . . A 62 LYS CG . 36786 1 713 . 1 . 1 62 62 LYS N N 15 117.973 0.300 . 1 . . . . A 62 LYS N . 36786 1 714 . 1 . 1 63 63 PHE H H 1 8.224 0.030 . 1 . . . . A 63 PHE H . 36786 1 715 . 1 . 1 63 63 PHE HA H 1 3.667 0.030 . 1 . . . . A 63 PHE HA . 36786 1 716 . 1 . 1 63 63 PHE HB2 H 1 3.250 0.030 . 2 . . . . A 63 PHE HB2 . 36786 1 717 . 1 . 1 63 63 PHE HB3 H 1 3.384 0.030 . 2 . . . . A 63 PHE HB3 . 36786 1 718 . 1 . 1 63 63 PHE HD1 H 1 6.947 0.030 . 1 . . . . A 63 PHE HD1 . 36786 1 719 . 1 . 1 63 63 PHE HD2 H 1 6.947 0.030 . 1 . . . . A 63 PHE HD2 . 36786 1 720 . 1 . 1 63 63 PHE HE1 H 1 7.064 0.030 . 1 . . . . A 63 PHE HE1 . 36786 1 721 . 1 . 1 63 63 PHE HE2 H 1 7.064 0.030 . 1 . . . . A 63 PHE HE2 . 36786 1 722 . 1 . 1 63 63 PHE HZ H 1 6.994 0.030 . 1 . . . . A 63 PHE HZ . 36786 1 723 . 1 . 1 63 63 PHE C C 13 173.220 0.300 . 1 . . . . A 63 PHE C . 36786 1 724 . 1 . 1 63 63 PHE CA C 13 60.112 0.300 . 1 . . . . A 63 PHE CA . 36786 1 725 . 1 . 1 63 63 PHE CB C 13 34.903 0.300 . 1 . . . . A 63 PHE CB . 36786 1 726 . 1 . 1 63 63 PHE CD1 C 13 131.258 0.300 . 1 . . . . A 63 PHE CD1 . 36786 1 727 . 1 . 1 63 63 PHE CD2 C 13 131.258 0.300 . 1 . . . . A 63 PHE CD2 . 36786 1 728 . 1 . 1 63 63 PHE CE1 C 13 131.258 0.300 . 1 . . . . A 63 PHE CE1 . 36786 1 729 . 1 . 1 63 63 PHE CE2 C 13 131.258 0.300 . 1 . . . . A 63 PHE CE2 . 36786 1 730 . 1 . 1 63 63 PHE CZ C 13 129.383 0.300 . 1 . . . . A 63 PHE CZ . 36786 1 731 . 1 . 1 63 63 PHE N N 15 106.489 0.300 . 1 . . . . A 63 PHE N . 36786 1 732 . 1 . 1 64 64 ASP H H 1 7.473 0.030 . 1 . . . . A 64 ASP H . 36786 1 733 . 1 . 1 64 64 ASP HA H 1 4.790 0.030 . 1 . . . . A 64 ASP HA . 36786 1 734 . 1 . 1 64 64 ASP HB2 H 1 3.193 0.030 . 2 . . . . A 64 ASP HB2 . 36786 1 735 . 1 . 1 64 64 ASP HB3 H 1 2.584 0.030 . 2 . . . . A 64 ASP HB3 . 36786 1 736 . 1 . 1 64 64 ASP C C 13 175.959 0.300 . 1 . . . . A 64 ASP C . 36786 1 737 . 1 . 1 64 64 ASP CA C 13 52.988 0.300 . 1 . . . . A 64 ASP CA . 36786 1 738 . 1 . 1 64 64 ASP CB C 13 40.659 0.300 . 1 . . . . A 64 ASP CB . 36786 1 739 . 1 . 1 64 64 ASP N N 15 118.981 0.300 . 1 . . . . A 64 ASP N . 36786 1 740 . 1 . 1 65 65 VAL H H 1 8.235 0.030 . 1 . . . . A 65 VAL H . 36786 1 741 . 1 . 1 65 65 VAL HA H 1 3.574 0.030 . 1 . . . . A 65 VAL HA . 36786 1 742 . 1 . 1 65 65 VAL HB H 1 2.105 0.030 . 1 . . . . A 65 VAL HB . 36786 1 743 . 1 . 1 65 65 VAL HG11 H 1 1.090 0.030 . 2 . . . . A 65 VAL HG11 . 36786 1 744 . 1 . 1 65 65 VAL HG12 H 1 1.090 0.030 . 2 . . . . A 65 VAL HG12 . 36786 1 745 . 1 . 1 65 65 VAL HG13 H 1 1.090 0.030 . 2 . . . . A 65 VAL HG13 . 36786 1 746 . 1 . 1 65 65 VAL HG21 H 1 0.859 0.030 . 2 . . . . A 65 VAL HG21 . 36786 1 747 . 1 . 1 65 65 VAL HG22 H 1 0.859 0.030 . 2 . . . . A 65 VAL HG22 . 36786 1 748 . 1 . 1 65 65 VAL HG23 H 1 0.859 0.030 . 2 . . . . A 65 VAL HG23 . 36786 1 749 . 1 . 1 65 65 VAL C C 13 176.553 0.300 . 1 . . . . A 65 VAL C . 36786 1 750 . 1 . 1 65 65 VAL CA C 13 65.934 0.300 . 1 . . . . A 65 VAL CA . 36786 1 751 . 1 . 1 65 65 VAL CB C 13 32.209 0.300 . 1 . . . . A 65 VAL CB . 36786 1 752 . 1 . 1 65 65 VAL CG1 C 13 23.349 0.300 . 2 . . . . A 65 VAL CG1 . 36786 1 753 . 1 . 1 65 65 VAL CG2 C 13 20.944 0.300 . 2 . . . . A 65 VAL CG2 . 36786 1 754 . 1 . 1 65 65 VAL N N 15 125.692 0.300 . 1 . . . . A 65 VAL N . 36786 1 755 . 1 . 1 66 66 GLN H H 1 8.046 0.030 . 1 . . . . A 66 GLN H . 36786 1 756 . 1 . 1 66 66 GLN HA H 1 4.003 0.030 . 1 . . . . A 66 GLN HA . 36786 1 757 . 1 . 1 66 66 GLN HB2 H 1 2.118 0.030 . 2 . . . . A 66 GLN HB2 . 36786 1 758 . 1 . 1 66 66 GLN HB3 H 1 2.152 0.030 . 2 . . . . A 66 GLN HB3 . 36786 1 759 . 1 . 1 66 66 GLN HE21 H 1 7.581 0.030 . 2 . . . . A 66 GLN HE21 . 36786 1 760 . 1 . 1 66 66 GLN HE22 H 1 6.867 0.030 . 2 . . . . A 66 GLN HE22 . 36786 1 761 . 1 . 1 66 66 GLN HG2 H 1 2.379 0.030 . 2 . . . . A 66 GLN HG2 . 36786 1 762 . 1 . 1 66 66 GLN HG3 H 1 2.442 0.030 . 2 . . . . A 66 GLN HG3 . 36786 1 763 . 1 . 1 66 66 GLN C C 13 179.390 0.300 . 1 . . . . A 66 GLN C . 36786 1 764 . 1 . 1 66 66 GLN CA C 13 59.212 0.300 . 1 . . . . A 66 GLN CA . 36786 1 765 . 1 . 1 66 66 GLN CB C 13 27.776 0.300 . 1 . . . . A 66 GLN CB . 36786 1 766 . 1 . 1 66 66 GLN CG C 13 34.207 0.300 . 1 . . . . A 66 GLN CG . 36786 1 767 . 1 . 1 66 66 GLN N N 15 119.234 0.300 . 1 . . . . A 66 GLN N . 36786 1 768 . 1 . 1 66 66 GLN NE2 N 15 112.090 0.300 . 1 . . . . A 66 GLN NE2 . 36786 1 769 . 1 . 1 67 67 LYS H H 1 7.789 0.030 . 1 . . . . A 67 LYS H . 36786 1 770 . 1 . 1 67 67 LYS HA H 1 3.902 0.030 . 1 . . . . A 67 LYS HA . 36786 1 771 . 1 . 1 67 67 LYS HB2 H 1 1.451 0.030 . 2 . . . . A 67 LYS HB2 . 36786 1 772 . 1 . 1 67 67 LYS HB3 H 1 1.641 0.030 . 2 . . . . A 67 LYS HB3 . 36786 1 773 . 1 . 1 67 67 LYS HD2 H 1 1.581 0.030 . 1 . . . . A 67 LYS HD2 . 36786 1 774 . 1 . 1 67 67 LYS HD3 H 1 1.581 0.030 . 1 . . . . A 67 LYS HD3 . 36786 1 775 . 1 . 1 67 67 LYS HE2 H 1 2.720 0.030 . 2 . . . . A 67 LYS HE2 . 36786 1 776 . 1 . 1 67 67 LYS HE3 H 1 2.859 0.030 . 2 . . . . A 67 LYS HE3 . 36786 1 777 . 1 . 1 67 67 LYS HG2 H 1 1.249 0.030 . 2 . . . . A 67 LYS HG2 . 36786 1 778 . 1 . 1 67 67 LYS HG3 H 1 1.010 0.030 . 2 . . . . A 67 LYS HG3 . 36786 1 779 . 1 . 1 67 67 LYS C C 13 178.755 0.300 . 1 . . . . A 67 LYS C . 36786 1 780 . 1 . 1 67 67 LYS CA C 13 58.083 0.300 . 1 . . . . A 67 LYS CA . 36786 1 781 . 1 . 1 67 67 LYS CB C 13 31.974 0.300 . 1 . . . . A 67 LYS CB . 36786 1 782 . 1 . 1 67 67 LYS CD C 13 28.713 0.300 . 1 . . . . A 67 LYS CD . 36786 1 783 . 1 . 1 67 67 LYS CE C 13 42.105 0.300 . 1 . . . . A 67 LYS CE . 36786 1 784 . 1 . 1 67 67 LYS CG C 13 25.206 0.300 . 1 . . . . A 67 LYS CG . 36786 1 785 . 1 . 1 67 67 LYS N N 15 121.127 0.300 . 1 . . . . A 67 LYS N . 36786 1 786 . 1 . 1 68 68 ALA H H 1 8.358 0.030 . 1 . . . . A 68 ALA H . 36786 1 787 . 1 . 1 68 68 ALA HA H 1 3.649 0.030 . 1 . . . . A 68 ALA HA . 36786 1 788 . 1 . 1 68 68 ALA HB1 H 1 1.243 0.030 . 1 . . . . A 68 ALA HB1 . 36786 1 789 . 1 . 1 68 68 ALA HB2 H 1 1.243 0.030 . 1 . . . . A 68 ALA HB2 . 36786 1 790 . 1 . 1 68 68 ALA HB3 H 1 1.243 0.030 . 1 . . . . A 68 ALA HB3 . 36786 1 791 . 1 . 1 68 68 ALA C C 13 176.767 0.300 . 1 . . . . A 68 ALA C . 36786 1 792 . 1 . 1 68 68 ALA CA C 13 55.440 0.300 . 1 . . . . A 68 ALA CA . 36786 1 793 . 1 . 1 68 68 ALA CB C 13 18.187 0.300 . 1 . . . . A 68 ALA CB . 36786 1 794 . 1 . 1 68 68 ALA N N 15 121.012 0.300 . 1 . . . . A 68 ALA N . 36786 1 795 . 1 . 1 69 69 LEU H H 1 8.547 0.030 . 1 . . . . A 69 LEU H . 36786 1 796 . 1 . 1 69 69 LEU HA H 1 3.773 0.030 . 1 . . . . A 69 LEU HA . 36786 1 797 . 1 . 1 69 69 LEU HB2 H 1 1.491 0.030 . 2 . . . . A 69 LEU HB2 . 36786 1 798 . 1 . 1 69 69 LEU HB3 H 1 1.920 0.030 . 2 . . . . A 69 LEU HB3 . 36786 1 799 . 1 . 1 69 69 LEU HD11 H 1 0.875 0.030 . 2 . . . . A 69 LEU HD11 . 36786 1 800 . 1 . 1 69 69 LEU HD12 H 1 0.875 0.030 . 2 . . . . A 69 LEU HD12 . 36786 1 801 . 1 . 1 69 69 LEU HD13 H 1 0.875 0.030 . 2 . . . . A 69 LEU HD13 . 36786 1 802 . 1 . 1 69 69 LEU HD21 H 1 0.875 0.030 . 2 . . . . A 69 LEU HD21 . 36786 1 803 . 1 . 1 69 69 LEU HD22 H 1 0.875 0.030 . 2 . . . . A 69 LEU HD22 . 36786 1 804 . 1 . 1 69 69 LEU HD23 H 1 0.875 0.030 . 2 . . . . A 69 LEU HD23 . 36786 1 805 . 1 . 1 69 69 LEU HG H 1 1.764 0.030 . 1 . . . . A 69 LEU HG . 36786 1 806 . 1 . 1 69 69 LEU C C 13 178.260 0.300 . 1 . . . . A 69 LEU C . 36786 1 807 . 1 . 1 69 69 LEU CA C 13 58.033 0.300 . 1 . . . . A 69 LEU CA . 36786 1 808 . 1 . 1 69 69 LEU CB C 13 42.162 0.300 . 1 . . . . A 69 LEU CB . 36786 1 809 . 1 . 1 69 69 LEU CD1 C 13 24.973 0.300 . 2 . . . . A 69 LEU CD1 . 36786 1 810 . 1 . 1 69 69 LEU CD2 C 13 24.645 0.300 . 2 . . . . A 69 LEU CD2 . 36786 1 811 . 1 . 1 69 69 LEU CG C 13 27.354 0.300 . 1 . . . . A 69 LEU CG . 36786 1 812 . 1 . 1 69 69 LEU N N 15 117.112 0.300 . 1 . . . . A 69 LEU N . 36786 1 813 . 1 . 1 70 70 SER H H 1 7.450 0.030 . 1 . . . . A 70 SER H . 36786 1 814 . 1 . 1 70 70 SER HA H 1 4.095 0.030 . 1 . . . . A 70 SER HA . 36786 1 815 . 1 . 1 70 70 SER HB2 H 1 3.921 0.030 . 1 . . . . A 70 SER HB2 . 36786 1 816 . 1 . 1 70 70 SER HB3 H 1 3.921 0.030 . 1 . . . . A 70 SER HB3 . 36786 1 817 . 1 . 1 70 70 SER C C 13 176.305 0.300 . 1 . . . . A 70 SER C . 36786 1 818 . 1 . 1 70 70 SER CA C 13 61.680 0.300 . 1 . . . . A 70 SER CA . 36786 1 819 . 1 . 1 70 70 SER CB C 13 63.013 0.300 . 1 . . . . A 70 SER CB . 36786 1 820 . 1 . 1 70 70 SER N N 15 112.908 0.300 . 1 . . . . A 70 SER N . 36786 1 821 . 1 . 1 71 71 VAL H H 1 7.509 0.030 . 1 . . . . A 71 VAL H . 36786 1 822 . 1 . 1 71 71 VAL HA H 1 3.929 0.030 . 1 . . . . A 71 VAL HA . 36786 1 823 . 1 . 1 71 71 VAL HB H 1 2.170 0.030 . 1 . . . . A 71 VAL HB . 36786 1 824 . 1 . 1 71 71 VAL HG11 H 1 0.928 0.030 . 2 . . . . A 71 VAL HG11 . 36786 1 825 . 1 . 1 71 71 VAL HG12 H 1 0.928 0.030 . 2 . . . . A 71 VAL HG12 . 36786 1 826 . 1 . 1 71 71 VAL HG13 H 1 0.928 0.030 . 2 . . . . A 71 VAL HG13 . 36786 1 827 . 1 . 1 71 71 VAL HG21 H 1 0.919 0.030 . 2 . . . . A 71 VAL HG21 . 36786 1 828 . 1 . 1 71 71 VAL HG22 H 1 0.919 0.030 . 2 . . . . A 71 VAL HG22 . 36786 1 829 . 1 . 1 71 71 VAL HG23 H 1 0.919 0.030 . 2 . . . . A 71 VAL HG23 . 36786 1 830 . 1 . 1 71 71 VAL C C 13 178.573 0.300 . 1 . . . . A 71 VAL C . 36786 1 831 . 1 . 1 71 71 VAL CA C 13 64.929 0.300 . 1 . . . . A 71 VAL CA . 36786 1 832 . 1 . 1 71 71 VAL CB C 13 31.742 0.300 . 1 . . . . A 71 VAL CB . 36786 1 833 . 1 . 1 71 71 VAL CG1 C 13 21.782 0.300 . 2 . . . . A 71 VAL CG1 . 36786 1 834 . 1 . 1 71 71 VAL CG2 C 13 21.005 0.300 . 2 . . . . A 71 VAL CG2 . 36786 1 835 . 1 . 1 71 71 VAL N N 15 118.391 0.300 . 1 . . . . A 71 VAL N . 36786 1 836 . 1 . 1 72 72 VAL H H 1 7.690 0.030 . 1 . . . . A 72 VAL H . 36786 1 837 . 1 . 1 72 72 VAL HA H 1 3.885 0.030 . 1 . . . . A 72 VAL HA . 36786 1 838 . 1 . 1 72 72 VAL HB H 1 2.118 0.030 . 1 . . . . A 72 VAL HB . 36786 1 839 . 1 . 1 72 72 VAL HG11 H 1 0.914 0.030 . 2 . . . . A 72 VAL HG11 . 36786 1 840 . 1 . 1 72 72 VAL HG12 H 1 0.914 0.030 . 2 . . . . A 72 VAL HG12 . 36786 1 841 . 1 . 1 72 72 VAL HG13 H 1 0.914 0.030 . 2 . . . . A 72 VAL HG13 . 36786 1 842 . 1 . 1 72 72 VAL HG21 H 1 0.880 0.030 . 2 . . . . A 72 VAL HG21 . 36786 1 843 . 1 . 1 72 72 VAL HG22 H 1 0.880 0.030 . 2 . . . . A 72 VAL HG22 . 36786 1 844 . 1 . 1 72 72 VAL HG23 H 1 0.880 0.030 . 2 . . . . A 72 VAL HG23 . 36786 1 845 . 1 . 1 72 72 VAL C C 13 177.542 0.300 . 1 . . . . A 72 VAL C . 36786 1 846 . 1 . 1 72 72 VAL CA C 13 64.907 0.300 . 1 . . . . A 72 VAL CA . 36786 1 847 . 1 . 1 72 72 VAL CB C 13 31.690 0.300 . 1 . . . . A 72 VAL CB . 36786 1 848 . 1 . 1 72 72 VAL CG1 C 13 21.732 0.300 . 2 . . . . A 72 VAL CG1 . 36786 1 849 . 1 . 1 72 72 VAL CG2 C 13 22.130 0.300 . 2 . . . . A 72 VAL CG2 . 36786 1 850 . 1 . 1 72 72 VAL N N 15 118.079 0.300 . 1 . . . . A 72 VAL N . 36786 1 851 . 1 . 1 73 73 LEU H H 1 7.996 0.030 . 1 . . . . A 73 LEU H . 36786 1 852 . 1 . 1 73 73 LEU HA H 1 4.210 0.030 . 1 . . . . A 73 LEU HA . 36786 1 853 . 1 . 1 73 73 LEU HB2 H 1 1.720 0.030 . 2 . . . . A 73 LEU HB2 . 36786 1 854 . 1 . 1 73 73 LEU HB3 H 1 1.491 0.030 . 2 . . . . A 73 LEU HB3 . 36786 1 855 . 1 . 1 73 73 LEU HD11 H 1 0.798 0.030 . 2 . . . . A 73 LEU HD11 . 36786 1 856 . 1 . 1 73 73 LEU HD12 H 1 0.798 0.030 . 2 . . . . A 73 LEU HD12 . 36786 1 857 . 1 . 1 73 73 LEU HD13 H 1 0.798 0.030 . 2 . . . . A 73 LEU HD13 . 36786 1 858 . 1 . 1 73 73 LEU HD21 H 1 0.800 0.030 . 2 . . . . A 73 LEU HD21 . 36786 1 859 . 1 . 1 73 73 LEU HD22 H 1 0.800 0.030 . 2 . . . . A 73 LEU HD22 . 36786 1 860 . 1 . 1 73 73 LEU HD23 H 1 0.800 0.030 . 2 . . . . A 73 LEU HD23 . 36786 1 861 . 1 . 1 73 73 LEU HG H 1 1.641 0.030 . 1 . . . . A 73 LEU HG . 36786 1 862 . 1 . 1 73 73 LEU C C 13 177.806 0.300 . 1 . . . . A 73 LEU C . 36786 1 863 . 1 . 1 73 73 LEU CA C 13 55.982 0.300 . 1 . . . . A 73 LEU CA . 36786 1 864 . 1 . 1 73 73 LEU CB C 13 42.282 0.300 . 1 . . . . A 73 LEU CB . 36786 1 865 . 1 . 1 73 73 LEU CD1 C 13 25.255 0.300 . 2 . . . . A 73 LEU CD1 . 36786 1 866 . 1 . 1 73 73 LEU CD2 C 13 22.792 0.300 . 2 . . . . A 73 LEU CD2 . 36786 1 867 . 1 . 1 73 73 LEU CG C 13 27.175 0.300 . 1 . . . . A 73 LEU CG . 36786 1 868 . 1 . 1 73 73 LEU N N 15 119.491 0.300 . 1 . . . . A 73 LEU N . 36786 1 869 . 1 . 1 74 74 GLU H H 1 7.719 0.030 . 1 . . . . A 74 GLU H . 36786 1 870 . 1 . 1 74 74 GLU HA H 1 4.158 0.030 . 1 . . . . A 74 GLU HA . 36786 1 871 . 1 . 1 74 74 GLU HB2 H 1 2.057 0.030 . 1 . . . . A 74 GLU HB2 . 36786 1 872 . 1 . 1 74 74 GLU HB3 H 1 2.057 0.030 . 1 . . . . A 74 GLU HB3 . 36786 1 873 . 1 . 1 74 74 GLU HG2 H 1 2.221 0.030 . 2 . . . . A 74 GLU HG2 . 36786 1 874 . 1 . 1 74 74 GLU HG3 H 1 2.315 0.030 . 2 . . . . A 74 GLU HG3 . 36786 1 875 . 1 . 1 74 74 GLU C C 13 176.932 0.300 . 1 . . . . A 74 GLU C . 36786 1 876 . 1 . 1 74 74 GLU CA C 13 57.192 0.300 . 1 . . . . A 74 GLU CA . 36786 1 877 . 1 . 1 74 74 GLU CB C 13 29.646 0.300 . 1 . . . . A 74 GLU CB . 36786 1 878 . 1 . 1 74 74 GLU CG C 13 36.387 0.300 . 1 . . . . A 74 GLU CG . 36786 1 879 . 1 . 1 74 74 GLU N N 15 119.095 0.300 . 1 . . . . A 74 GLU N . 36786 1 880 . 1 . 1 75 75 GLN H H 1 8.066 0.030 . 1 . . . . A 75 GLN H . 36786 1 881 . 1 . 1 75 75 GLN HA H 1 4.294 0.030 . 1 . . . . A 75 GLN HA . 36786 1 882 . 1 . 1 75 75 GLN HB2 H 1 2.133 0.030 . 2 . . . . A 75 GLN HB2 . 36786 1 883 . 1 . 1 75 75 GLN HB3 H 1 2.009 0.030 . 2 . . . . A 75 GLN HB3 . 36786 1 884 . 1 . 1 75 75 GLN HE21 H 1 6.811 0.030 . 2 . . . . A 75 GLN HE21 . 36786 1 885 . 1 . 1 75 75 GLN HE22 H 1 7.509 0.030 . 2 . . . . A 75 GLN HE22 . 36786 1 886 . 1 . 1 75 75 GLN HG2 H 1 2.379 0.030 . 1 . . . . A 75 GLN HG2 . 36786 1 887 . 1 . 1 75 75 GLN HG3 H 1 2.379 0.030 . 1 . . . . A 75 GLN HG3 . 36786 1 888 . 1 . 1 75 75 GLN C C 13 176.025 0.300 . 1 . . . . A 75 GLN C . 36786 1 889 . 1 . 1 75 75 GLN CA C 13 56.054 0.300 . 1 . . . . A 75 GLN CA . 36786 1 890 . 1 . 1 75 75 GLN CB C 13 29.282 0.300 . 1 . . . . A 75 GLN CB . 36786 1 891 . 1 . 1 75 75 GLN CG C 13 33.797 0.300 . 1 . . . . A 75 GLN CG . 36786 1 892 . 1 . 1 75 75 GLN N N 15 119.706 0.300 . 1 . . . . A 75 GLN N . 36786 1 893 . 1 . 1 75 75 GLN NE2 N 15 111.597 0.300 . 1 . . . . A 75 GLN NE2 . 36786 1 894 . 1 . 1 76 76 ASP H H 1 8.322 0.030 . 1 . . . . A 76 ASP H . 36786 1 895 . 1 . 1 76 76 ASP HA H 1 4.577 0.030 . 1 . . . . A 76 ASP HA . 36786 1 896 . 1 . 1 76 76 ASP HB2 H 1 2.673 0.030 . 1 . . . . A 76 ASP HB2 . 36786 1 897 . 1 . 1 76 76 ASP HB3 H 1 2.673 0.030 . 1 . . . . A 76 ASP HB3 . 36786 1 898 . 1 . 1 76 76 ASP C C 13 176.874 0.300 . 1 . . . . A 76 ASP C . 36786 1 899 . 1 . 1 76 76 ASP CA C 13 54.578 0.300 . 1 . . . . A 76 ASP CA . 36786 1 900 . 1 . 1 76 76 ASP CB C 13 41.259 0.300 . 1 . . . . A 76 ASP CB . 36786 1 901 . 1 . 1 76 76 ASP N N 15 121.275 0.300 . 1 . . . . A 76 ASP N . 36786 1 902 . 1 . 1 77 77 GLY H H 1 8.336 0.030 . 1 . . . . A 77 GLY H . 36786 1 903 . 1 . 1 77 77 GLY HA2 H 1 3.977 0.030 . 1 . . . . A 77 GLY HA2 . 36786 1 904 . 1 . 1 77 77 GLY HA3 H 1 3.977 0.030 . 1 . . . . A 77 GLY HA3 . 36786 1 905 . 1 . 1 77 77 GLY C C 13 174.556 0.300 . 1 . . . . A 77 GLY C . 36786 1 906 . 1 . 1 77 77 GLY CA C 13 45.611 0.300 . 1 . . . . A 77 GLY CA . 36786 1 907 . 1 . 1 77 77 GLY N N 15 109.765 0.300 . 1 . . . . A 77 GLY N . 36786 1 908 . 1 . 1 78 78 SER H H 1 8.235 0.030 . 1 . . . . A 78 SER H . 36786 1 909 . 1 . 1 78 78 SER HA H 1 4.411 0.030 . 1 . . . . A 78 SER HA . 36786 1 910 . 1 . 1 78 78 SER HB2 H 1 3.870 0.030 . 1 . . . . A 78 SER HB2 . 36786 1 911 . 1 . 1 78 78 SER HB3 H 1 3.870 0.030 . 1 . . . . A 78 SER HB3 . 36786 1 912 . 1 . 1 78 78 SER C C 13 174.680 0.300 . 1 . . . . A 78 SER C . 36786 1 913 . 1 . 1 78 78 SER CA C 13 58.676 0.300 . 1 . . . . A 78 SER CA . 36786 1 914 . 1 . 1 78 78 SER CB C 13 63.993 0.300 . 1 . . . . A 78 SER CB . 36786 1 915 . 1 . 1 78 78 SER N N 15 115.739 0.300 . 1 . . . . A 78 SER N . 36786 1 916 . 1 . 1 79 79 GLY H H 1 8.280 0.030 . 1 . . . . A 79 GLY H . 36786 1 917 . 1 . 1 79 79 GLY HA2 H 1 4.135 0.030 . 2 . . . . A 79 GLY HA2 . 36786 1 918 . 1 . 1 79 79 GLY HA3 H 1 4.059 0.030 . 2 . . . . A 79 GLY HA3 . 36786 1 919 . 1 . 1 79 79 GLY C C 13 178.796 0.300 . 1 . . . . A 79 GLY C . 36786 1 920 . 1 . 1 79 79 GLY CA C 13 44.695 0.300 . 1 . . . . A 79 GLY CA . 36786 1 921 . 1 . 1 79 79 GLY N N 15 110.624 0.300 . 1 . . . . A 79 GLY N . 36786 1 922 . 1 . 1 80 80 PRO HA H 1 4.455 0.030 . 1 . . . . A 80 PRO HA . 36786 1 923 . 1 . 1 80 80 PRO HB2 H 1 1.945 0.030 . 2 . . . . A 80 PRO HB2 . 36786 1 924 . 1 . 1 80 80 PRO HB3 H 1 2.268 0.030 . 2 . . . . A 80 PRO HB3 . 36786 1 925 . 1 . 1 80 80 PRO HD2 H 1 3.610 0.030 . 1 . . . . A 80 PRO HD2 . 36786 1 926 . 1 . 1 80 80 PRO HD3 H 1 3.610 0.030 . 1 . . . . A 80 PRO HD3 . 36786 1 927 . 1 . 1 80 80 PRO HG2 H 1 1.990 0.030 . 1 . . . . A 80 PRO HG2 . 36786 1 928 . 1 . 1 80 80 PRO HG3 H 1 1.990 0.030 . 1 . . . . A 80 PRO HG3 . 36786 1 929 . 1 . 1 80 80 PRO CA C 13 63.235 0.300 . 1 . . . . A 80 PRO CA . 36786 1 930 . 1 . 1 80 80 PRO CB C 13 32.184 0.300 . 1 . . . . A 80 PRO CB . 36786 1 931 . 1 . 1 80 80 PRO CD C 13 49.795 0.300 . 1 . . . . A 80 PRO CD . 36786 1 932 . 1 . 1 80 80 PRO CG C 13 27.150 0.300 . 1 . . . . A 80 PRO CG . 36786 1 933 . 1 . 1 81 81 SER H H 1 8.508 0.030 . 1 . . . . A 81 SER H . 36786 1 934 . 1 . 1 81 81 SER HA H 1 4.474 0.030 . 1 . . . . A 81 SER HA . 36786 1 935 . 1 . 1 81 81 SER HB2 H 1 3.851 0.030 . 1 . . . . A 81 SER HB2 . 36786 1 936 . 1 . 1 81 81 SER HB3 H 1 3.851 0.030 . 1 . . . . A 81 SER HB3 . 36786 1 937 . 1 . 1 81 81 SER C C 13 174.697 0.300 . 1 . . . . A 81 SER C . 36786 1 938 . 1 . 1 81 81 SER CA C 13 58.329 0.300 . 1 . . . . A 81 SER CA . 36786 1 939 . 1 . 1 81 81 SER CB C 13 63.787 0.300 . 1 . . . . A 81 SER CB . 36786 1 940 . 1 . 1 81 81 SER N N 15 116.517 0.300 . 1 . . . . A 81 SER N . 36786 1 941 . 1 . 1 83 83 GLY HA2 H 1 4.006 0.030 . 1 . . . . A 83 GLY HA2 . 36786 1 942 . 1 . 1 83 83 GLY HA3 H 1 4.006 0.030 . 1 . . . . A 83 GLY HA3 . 36786 1 943 . 1 . 1 83 83 GLY CA C 13 45.360 0.300 . 1 . . . . A 83 GLY CA . 36786 1 stop_ save_