data_36703 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36703 _Entry.Title ; The occluded structures of BjSemiSWEET in native cellular membranes determined by in situ solid-state NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-10-30 _Entry.Accession_date 2026-02-27 _Entry.Last_release_date 2026-02-27 _Entry.Original_release_date 2026-02-27 _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 'SOLID-STATE 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 H. Xie H. . . . 36703 2 J. Yang J. . . . 36703 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MEMBRANE PROTEIN' . 36703 'Membrane transporter' . 36703 SemiSWEET . 36703 'in situ Structure;' . 36703 occluded . 36703 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36703 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 36703 '15N chemical shifts' 83 36703 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 . . 2026-03-26 . original BMRB . 36703 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36702 'The outward-open structure of BjSemiSWEET in native cellular membranes determined by in situ solid-state NMR' 36703 PDB 9KBA 'BMRB Entry Tracking System' 36703 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36703 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41223279 _Citation.DOI 10.1126/sciadv.adv4583 _Citation.Full_citation . _Citation.Title ; Dynamic structures of a membrane transporter in native cellular membranes. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 11 _Citation.Journal_issue 46 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first eadv4583 _Citation.Page_last eadv4583 _Citation.Year 2025 _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 Huayong Xie H. . . . 36703 1 2 Yuefang Gan Y. . . . 36703 1 3 Weijing Zhao W. . . . 36703 1 4 Mojie Duan M. . . . 36703 1 5 Yang Shen Y. . . . 36703 1 6 Huan Tan H. . . . 36703 1 7 Yan Zhang Y. . . . 36703 1 8 Qiong Tong Q. . . . 36703 1 9 Yongxiang Zhao Y. . . . 36703 1 10 Jun Yang J. . . . 36703 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36703 _Assembly.ID 1 _Assembly.Name 'Sugar transporter SemiSWEET' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 36792.864 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1_1 1 $entity_1 A A yes . . . A . . 36703 1 2 entity_1_2 1 $entity_1 B B . . . . A . . 36703 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 MET 1 . A 1 MET . start . . 36703 1 . 1 1 10 GLY 10 . A 10 GLY . middle no . 36703 1 . 1 1 11 PHE 11 . A 11 PHE . middle . . 36703 1 . 1 1 12 ALA 12 . A 12 ALA . middle . . 36703 1 . 1 1 13 ALA 13 . A 13 ALA . middle . . 36703 1 . 1 1 14 ALA 14 . A 14 ALA . middle . . 36703 1 . 1 1 15 THR 15 . A 15 THR . middle . . 36703 1 . 1 1 16 CYS 16 . A 16 CYS . middle . . 36703 1 . 1 1 17 THR 17 . A 17 THR . middle . . 36703 1 . 1 1 18 THR 18 . A 18 THR . middle . . 36703 1 . 1 1 19 VAL 19 . A 19 VAL . middle . . 36703 1 . 1 1 2 ASP 2 . A 2 ASP . middle . . 36703 1 . 1 1 20 ALA 20 . A 20 ALA . middle . . 36703 1 . 1 1 21 TYR 21 . A 21 TYR . middle . . 36703 1 . 1 1 22 ALA 22 . A 22 ALA . middle . . 36703 1 . 1 1 23 PRO 23 . A 23 PRO . middle no . 36703 1 . 1 1 24 GLN 24 . A 24 GLN . middle . . 36703 1 . 1 1 25 PHE 25 . A 25 PHE . middle . . 36703 1 . 1 1 26 ILE 26 . A 26 ILE . middle . . 36703 1 . 1 1 27 LYS 27 . A 27 LYS . middle . . 36703 1 . 1 1 28 VAL 28 . A 28 VAL . middle . . 36703 1 . 1 1 29 LEU 29 . A 29 LEU . middle . . 36703 1 . 1 1 3 PRO 3 . A 3 PRO . middle no . 36703 1 . 1 1 30 LYS 30 . A 30 LYS . middle . . 36703 1 . 1 1 31 THR 31 . A 31 THR . middle . . 36703 1 . 1 1 32 ARG 32 . A 32 ARG . middle . . 36703 1 . 1 1 33 SER 33 . A 33 SER . middle . . 36703 1 . 1 1 34 ALA 34 . A 34 ALA . middle . . 36703 1 . 1 1 35 ARG 35 . A 35 ARG . middle . . 36703 1 . 1 1 36 ASP 36 . A 36 ASP . middle . . 36703 1 . 1 1 37 ILE 37 . A 37 ILE . middle . . 36703 1 . 1 1 38 SER 38 . A 38 SER . middle . . 36703 1 . 1 1 39 LEU 39 . A 39 LEU . middle . . 36703 1 . 1 1 4 PHE 4 . A 4 PHE . middle . . 36703 1 . 1 1 40 GLY 40 . A 40 GLY . middle no . 36703 1 . 1 1 41 MET 41 . A 41 MET . middle . . 36703 1 . 1 1 42 PHE 42 . A 42 PHE . middle . . 36703 1 . 1 1 43 LEU 43 . A 43 LEU . middle . . 36703 1 . 1 1 44 VAL 44 . A 44 VAL . middle . . 36703 1 . 1 1 45 MET 45 . A 45 MET . middle . . 36703 1 . 1 1 46 VAL 46 . A 46 VAL . middle . . 36703 1 . 1 1 47 LEU 47 . A 47 LEU . middle . . 36703 1 . 1 1 48 GLY 48 . A 48 GLY . middle no . 36703 1 . 1 1 49 LEU 49 . A 49 LEU . middle . . 36703 1 . 1 1 5 LEU 5 . A 5 LEU . middle . . 36703 1 . 1 1 50 ALA 50 . A 50 ALA . middle . . 36703 1 . 1 1 51 LEU 51 . A 51 LEU . middle . . 36703 1 . 1 1 52 TRP 52 . A 52 TRP . middle . . 36703 1 . 1 1 53 LEU 53 . A 53 LEU . middle . . 36703 1 . 1 1 54 ILE 54 . A 54 ILE . middle . . 36703 1 . 1 1 55 TYR 55 . A 55 TYR . middle . . 36703 1 . 1 1 56 GLY 56 . A 56 GLY . middle no . 36703 1 . 1 1 57 LEU 57 . A 57 LEU . middle . . 36703 1 . 1 1 58 LEU 58 . A 58 LEU . middle . . 36703 1 . 1 1 59 SER 59 . A 59 SER . middle . . 36703 1 . 1 1 6 ILE 6 . A 6 ILE . middle . . 36703 1 . 1 1 60 GLY 60 . A 60 GLY . middle no . 36703 1 . 1 1 61 ASP 61 . A 61 ASP . middle . . 36703 1 . 1 1 62 ALA 62 . A 62 ALA . middle . . 36703 1 . 1 1 63 PRO 63 . A 63 PRO . middle no . 36703 1 . 1 1 64 LEU 64 . A 64 LEU . middle . . 36703 1 . 1 1 65 ILE 65 . A 65 ILE . middle . . 36703 1 . 1 1 66 ALA 66 . A 66 ALA . middle . . 36703 1 . 1 1 67 SER 67 . A 67 SER . middle . . 36703 1 . 1 1 68 ASN 68 . A 68 ASN . middle . . 36703 1 . 1 1 69 ALA 69 . A 69 ALA . middle . . 36703 1 . 1 1 7 LYS 7 . A 7 LYS . middle . . 36703 1 . 1 1 70 VAL 70 . A 70 VAL . middle . . 36703 1 . 1 1 71 THR 71 . A 71 THR . middle . . 36703 1 . 1 1 72 MET 72 . A 72 MET . middle . . 36703 1 . 1 1 73 LEU 73 . A 73 LEU . middle . . 36703 1 . 1 1 74 LEU 74 . A 74 LEU . middle . . 36703 1 . 1 1 75 ALA 75 . A 75 ALA . middle . . 36703 1 . 1 1 76 GLY 76 . A 76 GLY . middle no . 36703 1 . 1 1 77 GLY 77 . A 77 GLY . middle no . 36703 1 . 1 1 78 ILE 78 . A 78 ILE . middle . . 36703 1 . 1 1 79 LEU 79 . A 79 LEU . middle . . 36703 1 . 1 1 8 LEU 8 . A 8 LEU . middle . . 36703 1 . 1 1 80 VAL 80 . A 80 VAL . middle . . 36703 1 . 1 1 81 MET 81 . A 81 MET . middle . . 36703 1 . 1 1 82 LYS 82 . A 82 LYS . middle . . 36703 1 . 1 1 83 LEU 83 . A 83 LEU . middle . . 36703 1 . 1 1 84 ARG 84 . A 84 ARG . middle . . 36703 1 . 1 1 85 TYR 85 . A 85 TYR . middle . . 36703 1 . 1 1 86 GLY 86 . A 86 GLY . end no . 36703 1 . 1 1 9 ILE 9 . A 9 ILE . middle . . 36703 1 . 2 1 1 MET 1 . B 1 MET . start . . 36703 1 . 2 1 10 GLY 10 . B 10 GLY . middle no . 36703 1 . 2 1 11 PHE 11 . B 11 PHE . middle . . 36703 1 . 2 1 12 ALA 12 . B 12 ALA . middle . . 36703 1 . 2 1 13 ALA 13 . B 13 ALA . middle . . 36703 1 . 2 1 14 ALA 14 . B 14 ALA . middle . . 36703 1 . 2 1 15 THR 15 . B 15 THR . middle . . 36703 1 . 2 1 16 CYS 16 . B 16 CYS . middle . . 36703 1 . 2 1 17 THR 17 . B 17 THR . middle . . 36703 1 . 2 1 18 THR 18 . B 18 THR . middle . . 36703 1 . 2 1 19 VAL 19 . B 19 VAL . middle . . 36703 1 . 2 1 2 ASP 2 . B 2 ASP . middle . . 36703 1 . 2 1 20 ALA 20 . B 20 ALA . middle . . 36703 1 . 2 1 21 TYR 21 . B 21 TYR . middle . . 36703 1 . 2 1 22 ALA 22 . B 22 ALA . middle . . 36703 1 . 2 1 23 PRO 23 . B 23 PRO . middle no . 36703 1 . 2 1 24 GLN 24 . B 24 GLN . middle . . 36703 1 . 2 1 25 PHE 25 . B 25 PHE . middle . . 36703 1 . 2 1 26 ILE 26 . B 26 ILE . middle . . 36703 1 . 2 1 27 LYS 27 . B 27 LYS . middle . . 36703 1 . 2 1 28 VAL 28 . B 28 VAL . middle . . 36703 1 . 2 1 29 LEU 29 . B 29 LEU . middle . . 36703 1 . 2 1 3 PRO 3 . B 3 PRO . middle no . 36703 1 . 2 1 30 LYS 30 . B 30 LYS . middle . . 36703 1 . 2 1 31 THR 31 . B 31 THR . middle . . 36703 1 . 2 1 32 ARG 32 . B 32 ARG . middle . . 36703 1 . 2 1 33 SER 33 . B 33 SER . middle . . 36703 1 . 2 1 34 ALA 34 . B 34 ALA . middle . . 36703 1 . 2 1 35 ARG 35 . B 35 ARG . middle . . 36703 1 . 2 1 36 ASP 36 . B 36 ASP . middle . . 36703 1 . 2 1 37 ILE 37 . B 37 ILE . middle . . 36703 1 . 2 1 38 SER 38 . B 38 SER . middle . . 36703 1 . 2 1 39 LEU 39 . B 39 LEU . middle . . 36703 1 . 2 1 4 PHE 4 . B 4 PHE . middle . . 36703 1 . 2 1 40 GLY 40 . B 40 GLY . middle no . 36703 1 . 2 1 41 MET 41 . B 41 MET . middle . . 36703 1 . 2 1 42 PHE 42 . B 42 PHE . middle . . 36703 1 . 2 1 43 LEU 43 . B 43 LEU . middle . . 36703 1 . 2 1 44 VAL 44 . B 44 VAL . middle . . 36703 1 . 2 1 45 MET 45 . B 45 MET . middle . . 36703 1 . 2 1 46 VAL 46 . B 46 VAL . middle . . 36703 1 . 2 1 47 LEU 47 . B 47 LEU . middle . . 36703 1 . 2 1 48 GLY 48 . B 48 GLY . middle no . 36703 1 . 2 1 49 LEU 49 . B 49 LEU . middle . . 36703 1 . 2 1 5 LEU 5 . B 5 LEU . middle . . 36703 1 . 2 1 50 ALA 50 . B 50 ALA . middle . . 36703 1 . 2 1 51 LEU 51 . B 51 LEU . middle . . 36703 1 . 2 1 52 TRP 52 . B 52 TRP . middle . . 36703 1 . 2 1 53 LEU 53 . B 53 LEU . middle . . 36703 1 . 2 1 54 ILE 54 . B 54 ILE . middle . . 36703 1 . 2 1 55 TYR 55 . B 55 TYR . middle . . 36703 1 . 2 1 56 GLY 56 . B 56 GLY . middle no . 36703 1 . 2 1 57 LEU 57 . B 57 LEU . middle . . 36703 1 . 2 1 58 LEU 58 . B 58 LEU . middle . . 36703 1 . 2 1 59 SER 59 . B 59 SER . middle . . 36703 1 . 2 1 6 ILE 6 . B 6 ILE . middle . . 36703 1 . 2 1 60 GLY 60 . B 60 GLY . middle no . 36703 1 . 2 1 61 ASP 61 . B 61 ASP . middle . . 36703 1 . 2 1 62 ALA 62 . B 62 ALA . middle . . 36703 1 . 2 1 63 PRO 63 . B 63 PRO . middle no . 36703 1 . 2 1 64 LEU 64 . B 64 LEU . middle . . 36703 1 . 2 1 65 ILE 65 . B 65 ILE . middle . . 36703 1 . 2 1 66 ALA 66 . B 66 ALA . middle . . 36703 1 . 2 1 67 SER 67 . B 67 SER . middle . . 36703 1 . 2 1 68 ASN 68 . B 68 ASN . middle . . 36703 1 . 2 1 69 ALA 69 . B 69 ALA . middle . . 36703 1 . 2 1 7 LYS 7 . B 7 LYS . middle . . 36703 1 . 2 1 70 VAL 70 . B 70 VAL . middle . . 36703 1 . 2 1 71 THR 71 . B 71 THR . middle . . 36703 1 . 2 1 72 MET 72 . B 72 MET . middle . . 36703 1 . 2 1 73 LEU 73 . B 73 LEU . middle . . 36703 1 . 2 1 74 LEU 74 . B 74 LEU . middle . . 36703 1 . 2 1 75 ALA 75 . B 75 ALA . middle . . 36703 1 . 2 1 76 GLY 76 . B 76 GLY . middle no . 36703 1 . 2 1 77 GLY 77 . B 77 GLY . middle no . 36703 1 . 2 1 78 ILE 78 . B 78 ILE . middle . . 36703 1 . 2 1 79 LEU 79 . B 79 LEU . middle . . 36703 1 . 2 1 8 LEU 8 . B 8 LEU . middle . . 36703 1 . 2 1 80 VAL 80 . B 80 VAL . middle . . 36703 1 . 2 1 81 MET 81 . B 81 MET . middle . . 36703 1 . 2 1 82 LYS 82 . B 82 LYS . middle . . 36703 1 . 2 1 83 LEU 83 . B 83 LEU . middle . . 36703 1 . 2 1 84 ARG 84 . B 84 ARG . middle . . 36703 1 . 2 1 85 TYR 85 . B 85 TYR . middle . . 36703 1 . 2 1 86 GLY 86 . B 86 GLY . end no . 36703 1 . 2 1 9 ILE 9 . B 9 ILE . middle . . 36703 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36703 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Sugar transporter SemiSWEET' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDPFLIKLIGFAAATCTTVA YAPQFIKVLKTRSARDISLG MFLVMVLGLALWLIYGLLSG DAPLIASNAVTMLLAGGILV MKLRYG ; _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 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9198.216 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 36703 1 2 2 ASP . 36703 1 3 3 PRO . 36703 1 4 4 PHE . 36703 1 5 5 LEU . 36703 1 6 6 ILE . 36703 1 7 7 LYS . 36703 1 8 8 LEU . 36703 1 9 9 ILE . 36703 1 10 10 GLY . 36703 1 11 11 PHE . 36703 1 12 12 ALA . 36703 1 13 13 ALA . 36703 1 14 14 ALA . 36703 1 15 15 THR . 36703 1 16 16 CYS . 36703 1 17 17 THR . 36703 1 18 18 THR . 36703 1 19 19 VAL . 36703 1 20 20 ALA . 36703 1 21 21 TYR . 36703 1 22 22 ALA . 36703 1 23 23 PRO . 36703 1 24 24 GLN . 36703 1 25 25 PHE . 36703 1 26 26 ILE . 36703 1 27 27 LYS . 36703 1 28 28 VAL . 36703 1 29 29 LEU . 36703 1 30 30 LYS . 36703 1 31 31 THR . 36703 1 32 32 ARG . 36703 1 33 33 SER . 36703 1 34 34 ALA . 36703 1 35 35 ARG . 36703 1 36 36 ASP . 36703 1 37 37 ILE . 36703 1 38 38 SER . 36703 1 39 39 LEU . 36703 1 40 40 GLY . 36703 1 41 41 MET . 36703 1 42 42 PHE . 36703 1 43 43 LEU . 36703 1 44 44 VAL . 36703 1 45 45 MET . 36703 1 46 46 VAL . 36703 1 47 47 LEU . 36703 1 48 48 GLY . 36703 1 49 49 LEU . 36703 1 50 50 ALA . 36703 1 51 51 LEU . 36703 1 52 52 TRP . 36703 1 53 53 LEU . 36703 1 54 54 ILE . 36703 1 55 55 TYR . 36703 1 56 56 GLY . 36703 1 57 57 LEU . 36703 1 58 58 LEU . 36703 1 59 59 SER . 36703 1 60 60 GLY . 36703 1 61 61 ASP . 36703 1 62 62 ALA . 36703 1 63 63 PRO . 36703 1 64 64 LEU . 36703 1 65 65 ILE . 36703 1 66 66 ALA . 36703 1 67 67 SER . 36703 1 68 68 ASN . 36703 1 69 69 ALA . 36703 1 70 70 VAL . 36703 1 71 71 THR . 36703 1 72 72 MET . 36703 1 73 73 LEU . 36703 1 74 74 LEU . 36703 1 75 75 ALA . 36703 1 76 76 GLY . 36703 1 77 77 GLY . 36703 1 78 78 ILE . 36703 1 79 79 LEU . 36703 1 80 80 VAL . 36703 1 81 81 MET . 36703 1 82 82 LYS . 36703 1 83 83 LEU . 36703 1 84 84 ARG . 36703 1 85 85 TYR . 36703 1 86 86 GLY . 36703 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 36703 1 . ASP 2 2 36703 1 . PRO 3 3 36703 1 . PHE 4 4 36703 1 . LEU 5 5 36703 1 . ILE 6 6 36703 1 . LYS 7 7 36703 1 . LEU 8 8 36703 1 . ILE 9 9 36703 1 . GLY 10 10 36703 1 . PHE 11 11 36703 1 . ALA 12 12 36703 1 . ALA 13 13 36703 1 . ALA 14 14 36703 1 . THR 15 15 36703 1 . CYS 16 16 36703 1 . THR 17 17 36703 1 . THR 18 18 36703 1 . VAL 19 19 36703 1 . ALA 20 20 36703 1 . TYR 21 21 36703 1 . ALA 22 22 36703 1 . PRO 23 23 36703 1 . GLN 24 24 36703 1 . PHE 25 25 36703 1 . ILE 26 26 36703 1 . LYS 27 27 36703 1 . VAL 28 28 36703 1 . LEU 29 29 36703 1 . LYS 30 30 36703 1 . THR 31 31 36703 1 . ARG 32 32 36703 1 . SER 33 33 36703 1 . ALA 34 34 36703 1 . ARG 35 35 36703 1 . ASP 36 36 36703 1 . ILE 37 37 36703 1 . SER 38 38 36703 1 . LEU 39 39 36703 1 . GLY 40 40 36703 1 . MET 41 41 36703 1 . PHE 42 42 36703 1 . LEU 43 43 36703 1 . VAL 44 44 36703 1 . MET 45 45 36703 1 . VAL 46 46 36703 1 . LEU 47 47 36703 1 . GLY 48 48 36703 1 . LEU 49 49 36703 1 . ALA 50 50 36703 1 . LEU 51 51 36703 1 . TRP 52 52 36703 1 . LEU 53 53 36703 1 . ILE 54 54 36703 1 . TYR 55 55 36703 1 . GLY 56 56 36703 1 . LEU 57 57 36703 1 . LEU 58 58 36703 1 . SER 59 59 36703 1 . GLY 60 60 36703 1 . ASP 61 61 36703 1 . ALA 62 62 36703 1 . PRO 63 63 36703 1 . LEU 64 64 36703 1 . ILE 65 65 36703 1 . ALA 66 66 36703 1 . SER 67 67 36703 1 . ASN 68 68 36703 1 . ALA 69 69 36703 1 . VAL 70 70 36703 1 . THR 71 71 36703 1 . MET 72 72 36703 1 . LEU 73 73 36703 1 . LEU 74 74 36703 1 . ALA 75 75 36703 1 . GLY 76 76 36703 1 . GLY 77 77 36703 1 . ILE 78 78 36703 1 . LEU 79 79 36703 1 . VAL 80 80 36703 1 . MET 81 81 36703 1 . LYS 82 82 36703 1 . LEU 83 83 36703 1 . ARG 84 84 36703 1 . TYR 85 85 36703 1 . GLY 86 86 36703 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 36703 _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 . 224911 organism . 'Bradyrhizobium diazoefficiens USDA 110' . . . . Pseudomonadati Bradyrhizobium diazoefficiens 'Bradyrhizobium diazoefficiens USDA 110 (strain: USDA110' . . . . . . . . . . bsr6460 . 36703 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 36703 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . 36703 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36703 _Sample.ID 1 _Sample.Name . _Sample.Type membrane _Sample.Sub_type . _Sample.Details '60 % w/w [U-13C; U-15N] Sucrose transport protein, Bradyrhizobium japonicum SemiSWEET (BjSemiSWEET), H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _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 'Sucrose transport protein, Bradyrhizobium japonicum SemiSWEET (BjSemiSWEET)' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 60 . . '% w/w' 20 . . . 36703 1 2 H2O 'natural abundance' . . . . . solvent 100 . . % . . . . 36703 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 36703 _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' 1 0.2 M 36703 1 pH 8.2 0.1 pH 36703 1 pressure 1 0.01 mbar 36703 1 temperature 298 0.2 K 36703 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36703 _Software.ID 1 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36703 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36703 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36703 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36703 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36703 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36703 _Software.ID 3 _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' . . 36703 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36703 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36703 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36703 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36703 4 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 36703 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details ; Solid-state NMR experiments, including NCACX, NCOCX, CONCA, and NCACB, were conducted on BjSemiSWEET's cellular membrane samples using a standard Bruker Advance 800 MHz spectrometer equipped with a 3.2-mm E-free HCN MAS probe spinning at 10.5 kHz and 273 K. ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker AVANCE III 800' _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 36703 _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 'Bruker AVANCE III 800' . 800 . . . 36703 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 36703 _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 NCACX' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36703 1 2 '3D NCOCX' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36703 1 3 '3D CONCA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36703 1 4 '2D 500ms CORD' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36703 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 36703 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; Chemical shifts for 13C were referenced to adamantane (40.48 ppm methylene carbon), while 15N shifts were indirectly referenced to liquid NH3 based on the gyromagnetic 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 adamantane 'methylene carbons' . . . . ppm 40.48 external direct 0.251449530 . . . . . 36703 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 external indirect 0.4 . . . . . 36703 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36703 _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 NCACX' 1 $sample_1 isotropic 36703 1 2 '3D NCOCX' 1 $sample_1 isotropic 36703 1 3 '3D CONCA' 1 $sample_1 isotropic 36703 1 4 '2D 500ms CORD' 1 $sample_1 isotropic 36703 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 PRO C C 13 178.695 0.3 . 1 . . . . A 3 PRO C . 36703 1 2 . 1 . 1 3 3 PRO CA C 13 64.774 0.3 . 1 . . . . A 3 PRO CA . 36703 1 3 . 1 . 1 3 3 PRO CB C 13 32.207 0.3 . 1 . . . . A 3 PRO CB . 36703 1 4 . 1 . 1 3 3 PRO CD C 13 51.286 0.3 . 1 . . . . A 3 PRO CD . 36703 1 5 . 1 . 1 3 3 PRO CG C 13 27.387 0.3 . 1 . . . . A 3 PRO CG . 36703 1 6 . 1 . 1 3 3 PRO N N 15 139.025 0.3 . 1 . . . . A 3 PRO N . 36703 1 7 . 1 . 1 4 4 PHE C C 13 180.023 0.3 . 1 . . . . A 4 PHE C . 36703 1 8 . 1 . 1 4 4 PHE CA C 13 60.565 0.3 . 1 . . . . A 4 PHE CA . 36703 1 9 . 1 . 1 4 4 PHE CB C 13 38.164 0.3 . 1 . . . . A 4 PHE CB . 36703 1 10 . 1 . 1 4 4 PHE N N 15 119.835 0.3 . 1 . . . . A 4 PHE N . 36703 1 11 . 1 . 1 5 5 LEU C C 13 178.28 0.3 . 1 . . . . A 5 LEU C . 36703 1 12 . 1 . 1 5 5 LEU CA C 13 57.094 0.3 . 1 . . . . A 5 LEU CA . 36703 1 13 . 1 . 1 5 5 LEU CB C 13 42.253 0.3 . 1 . . . . A 5 LEU CB . 36703 1 14 . 1 . 1 5 5 LEU N N 15 118.178 0.3 . 1 . . . . A 5 LEU N . 36703 1 15 . 1 . 1 6 6 ILE C C 13 177.636 0.3 . 1 . . . . A 6 ILE C . 36703 1 16 . 1 . 1 6 6 ILE CA C 13 66.211 0.3 . 1 . . . . A 6 ILE CA . 36703 1 17 . 1 . 1 6 6 ILE CB C 13 38.145 0.3 . 1 . . . . A 6 ILE CB . 36703 1 18 . 1 . 1 6 6 ILE CG1 C 13 29.318 0.3 . 1 . . . . A 6 ILE CG1 . 36703 1 19 . 1 . 1 6 6 ILE N N 15 116.771 0.3 . 1 . . . . A 6 ILE N . 36703 1 20 . 1 . 1 7 7 LYS C C 13 177.651 0.3 . 1 . . . . A 7 LYS C . 36703 1 21 . 1 . 1 7 7 LYS CA C 13 58.44 0.3 . 1 . . . . A 7 LYS CA . 36703 1 22 . 1 . 1 7 7 LYS CB C 13 31.595 0.3 . 1 . . . . A 7 LYS CB . 36703 1 23 . 1 . 1 7 7 LYS N N 15 119.976 0.3 . 1 . . . . A 7 LYS N . 36703 1 24 . 1 . 1 8 8 LEU C C 13 178.711 0.3 . 1 . . . . A 8 LEU C . 36703 1 25 . 1 . 1 8 8 LEU CA C 13 58.412 0.3 . 1 . . . . A 8 LEU CA . 36703 1 26 . 1 . 1 8 8 LEU CB C 13 41.374 0.3 . 1 . . . . A 8 LEU CB . 36703 1 27 . 1 . 1 8 8 LEU CG C 13 27.759 0.3 . 1 . . . . A 8 LEU CG . 36703 1 28 . 1 . 1 8 8 LEU N N 15 121.407 0.3 . 1 . . . . A 8 LEU N . 36703 1 29 . 1 . 1 9 9 ILE C C 13 177.411 0.3 . 1 . . . . A 9 ILE C . 36703 1 30 . 1 . 1 9 9 ILE CA C 13 66.154 0.3 . 1 . . . . A 9 ILE CA . 36703 1 31 . 1 . 1 9 9 ILE CB C 13 37.624 0.3 . 1 . . . . A 9 ILE CB . 36703 1 32 . 1 . 1 9 9 ILE CD1 C 13 14.38 0.3 . 1 . . . . A 9 ILE CD1 . 36703 1 33 . 1 . 1 9 9 ILE CG1 C 13 27.429 0.3 . 1 . . . . A 9 ILE CG1 . 36703 1 34 . 1 . 1 9 9 ILE CG2 C 13 18.186 0.3 . 1 . . . . A 9 ILE CG2 . 36703 1 35 . 1 . 1 9 9 ILE N N 15 119.508 0.3 . 1 . . . . A 9 ILE N . 36703 1 36 . 1 . 1 10 10 GLY C C 13 175.251 0.3 . 1 . . . . A 10 GLY C . 36703 1 37 . 1 . 1 10 10 GLY CA C 13 46.476 0.3 . 1 . . . . A 10 GLY CA . 36703 1 38 . 1 . 1 10 10 GLY N N 15 106.723 0.3 . 1 . . . . A 10 GLY N . 36703 1 39 . 1 . 1 11 11 PHE C C 13 179.008 0.3 . 1 . . . . A 11 PHE C . 36703 1 40 . 1 . 1 11 11 PHE CA C 13 57.986 0.3 . 1 . . . . A 11 PHE CA . 36703 1 41 . 1 . 1 11 11 PHE CB C 13 39.106 0.3 . 1 . . . . A 11 PHE CB . 36703 1 42 . 1 . 1 11 11 PHE N N 15 122.172 0.3 . 1 . . . . A 11 PHE N . 36703 1 43 . 1 . 1 12 12 ALA C C 13 179.746 0.3 . 1 . . . . A 12 ALA C . 36703 1 44 . 1 . 1 12 12 ALA CA C 13 55.416 0.3 . 1 . . . . A 12 ALA CA . 36703 1 45 . 1 . 1 12 12 ALA CB C 13 18.294 0.3 . 1 . . . . A 12 ALA CB . 36703 1 46 . 1 . 1 12 12 ALA N N 15 121.22 0.3 . 1 . . . . A 12 ALA N . 36703 1 47 . 1 . 1 13 13 ALA C C 13 178.813 0.3 . 1 . . . . A 13 ALA C . 36703 1 48 . 1 . 1 13 13 ALA CA C 13 55.252 0.3 . 1 . . . . A 13 ALA CA . 36703 1 49 . 1 . 1 13 13 ALA CB C 13 18.5 0.3 . 1 . . . . A 13 ALA CB . 36703 1 50 . 1 . 1 13 13 ALA N N 15 125.224 0.3 . 1 . . . . A 13 ALA N . 36703 1 51 . 1 . 1 14 14 ALA C C 13 178.353 0.3 . 1 . . . . A 14 ALA C . 36703 1 52 . 1 . 1 14 14 ALA CA C 13 55.408 0.3 . 1 . . . . A 14 ALA CA . 36703 1 53 . 1 . 1 14 14 ALA CB C 13 18.297 0.3 . 1 . . . . A 14 ALA CB . 36703 1 54 . 1 . 1 14 14 ALA N N 15 127.257 0.3 . 1 . . . . A 14 ALA N . 36703 1 55 . 1 . 1 15 15 THR C C 13 178.846 0.3 . 1 . . . . A 15 THR C . 36703 1 56 . 1 . 1 15 15 THR CA C 13 68.04 0.3 . 1 . . . . A 15 THR CA . 36703 1 57 . 1 . 1 15 15 THR CB C 13 65.424 0.3 . 1 . . . . A 15 THR CB . 36703 1 58 . 1 . 1 15 15 THR CG2 C 13 18.66 0.3 . 1 . . . . A 15 THR CG2 . 36703 1 59 . 1 . 1 15 15 THR N N 15 115.952 0.3 . 1 . . . . A 15 THR N . 36703 1 60 . 1 . 1 16 16 CYS C C 13 178.989 0.3 . 1 . . . . A 16 CYS C . 36703 1 61 . 1 . 1 16 16 CYS CA C 13 59.131 0.3 . 1 . . . . A 16 CYS CA . 36703 1 62 . 1 . 1 16 16 CYS CB C 13 32.993 0.3 . 1 . . . . A 16 CYS CB . 36703 1 63 . 1 . 1 16 16 CYS N N 15 115.358 0.3 . 1 . . . . A 16 CYS N . 36703 1 64 . 1 . 1 17 17 THR C C 13 175.627 0.3 . 1 . . . . A 17 THR C . 36703 1 65 . 1 . 1 17 17 THR CA C 13 62.326 0.3 . 1 . . . . A 17 THR CA . 36703 1 66 . 1 . 1 17 17 THR CB C 13 71.017 0.3 . 1 . . . . A 17 THR CB . 36703 1 67 . 1 . 1 17 17 THR CG2 C 13 22.389 0.3 . 1 . . . . A 17 THR CG2 . 36703 1 68 . 1 . 1 17 17 THR N N 15 105.992 0.3 . 1 . . . . A 17 THR N . 36703 1 69 . 1 . 1 18 18 THR C C 13 176.621 0.3 . 1 . . . . A 18 THR C . 36703 1 70 . 1 . 1 18 18 THR CA C 13 65.295 0.3 . 1 . . . . A 18 THR CA . 36703 1 71 . 1 . 1 18 18 THR CB C 13 68.12 0.3 . 1 . . . . A 18 THR CB . 36703 1 72 . 1 . 1 18 18 THR CG2 C 13 22.88 0.3 . 1 . . . . A 18 THR CG2 . 36703 1 73 . 1 . 1 18 18 THR N N 15 106.601 0.3 . 1 . . . . A 18 THR N . 36703 1 74 . 1 . 1 19 19 VAL C C 13 176.995 0.3 . 1 . . . . A 19 VAL C . 36703 1 75 . 1 . 1 19 19 VAL CA C 13 65.523 0.3 . 1 . . . . A 19 VAL CA . 36703 1 76 . 1 . 1 19 19 VAL CB C 13 29.67 0.3 . 1 . . . . A 19 VAL CB . 36703 1 77 . 1 . 1 19 19 VAL CG1 C 13 22.775 0.3 . 2 . . . . A 19 VAL CG1 . 36703 1 78 . 1 . 1 19 19 VAL CG2 C 13 21.552 0.3 . 2 . . . . A 19 VAL CG2 . 36703 1 79 . 1 . 1 19 19 VAL N N 15 118.601 0.3 . 1 . . . . A 19 VAL N . 36703 1 80 . 1 . 1 20 20 ALA C C 13 179.01 0.3 . 1 . . . . A 20 ALA C . 36703 1 81 . 1 . 1 20 20 ALA CA C 13 55.567 0.3 . 1 . . . . A 20 ALA CA . 36703 1 82 . 1 . 1 20 20 ALA CB C 13 19.119 0.3 . 1 . . . . A 20 ALA CB . 36703 1 83 . 1 . 1 20 20 ALA N N 15 118.649 0.3 . 1 . . . . A 20 ALA N . 36703 1 84 . 1 . 1 21 21 TYR C C 13 178.531 0.3 . 1 . . . . A 21 TYR C . 36703 1 85 . 1 . 1 21 21 TYR CA C 13 61.32 0.3 . 1 . . . . A 21 TYR CA . 36703 1 86 . 1 . 1 21 21 TYR CB C 13 41.263 0.3 . 1 . . . . A 21 TYR CB . 36703 1 87 . 1 . 1 21 21 TYR N N 15 109.606 0.3 . 1 . . . . A 21 TYR N . 36703 1 88 . 1 . 1 22 22 ALA C C 13 176.376 0.3 . 1 . . . . A 22 ALA C . 36703 1 89 . 1 . 1 22 22 ALA CA C 13 55.566 0.3 . 1 . . . . A 22 ALA CA . 36703 1 90 . 1 . 1 22 22 ALA CB C 13 15.711 0.3 . 1 . . . . A 22 ALA CB . 36703 1 91 . 1 . 1 22 22 ALA N N 15 122.682 0.3 . 1 . . . . A 22 ALA N . 36703 1 92 . 1 . 1 23 23 PRO C C 13 178.535 0.3 . 1 . . . . A 23 PRO C . 36703 1 93 . 1 . 1 23 23 PRO CA C 13 65.395 0.3 . 1 . . . . A 23 PRO CA . 36703 1 94 . 1 . 1 23 23 PRO CB C 13 31.32 0.3 . 1 . . . . A 23 PRO CB . 36703 1 95 . 1 . 1 23 23 PRO CD C 13 49.514 0.3 . 1 . . . . A 23 PRO CD . 36703 1 96 . 1 . 1 23 23 PRO CG C 13 28.179 0.3 . 1 . . . . A 23 PRO CG . 36703 1 97 . 1 . 1 23 23 PRO N N 15 132.557 0.3 . 1 . . . . A 23 PRO N . 36703 1 98 . 1 . 1 24 24 GLN C C 13 177.288 0.3 . 1 . . . . A 24 GLN C . 36703 1 99 . 1 . 1 24 24 GLN CA C 13 57.845 0.3 . 1 . . . . A 24 GLN CA . 36703 1 100 . 1 . 1 24 24 GLN CB C 13 31.469 0.3 . 1 . . . . A 24 GLN CB . 36703 1 101 . 1 . 1 24 24 GLN CD C 13 178.65 0.3 . 1 . . . . A 24 GLN CD . 36703 1 102 . 1 . 1 24 24 GLN CG C 13 34.175 0.3 . 1 . . . . A 24 GLN CG . 36703 1 103 . 1 . 1 24 24 GLN N N 15 115.299 0.3 . 1 . . . . A 24 GLN N . 36703 1 104 . 1 . 1 25 25 PHE C C 13 176.422 0.3 . 1 . . . . A 25 PHE C . 36703 1 105 . 1 . 1 25 25 PHE CA C 13 60.576 0.3 . 1 . . . . A 25 PHE CA . 36703 1 106 . 1 . 1 25 25 PHE CB C 13 39.697 0.3 . 1 . . . . A 25 PHE CB . 36703 1 107 . 1 . 1 25 25 PHE N N 15 122.919 0.3 . 1 . . . . A 25 PHE N . 36703 1 108 . 1 . 1 26 26 ILE C C 13 178.035 0.3 . 1 . . . . A 26 ILE C . 36703 1 109 . 1 . 1 26 26 ILE CA C 13 65.193 0.3 . 1 . . . . A 26 ILE CA . 36703 1 110 . 1 . 1 26 26 ILE CB C 13 38.285 0.3 . 1 . . . . A 26 ILE CB . 36703 1 111 . 1 . 1 26 26 ILE CD1 C 13 13.469 0.3 . 1 . . . . A 26 ILE CD1 . 36703 1 112 . 1 . 1 26 26 ILE CG1 C 13 31.622 0.3 . 1 . . . . A 26 ILE CG1 . 36703 1 113 . 1 . 1 26 26 ILE CG2 C 13 17.748 0.3 . 1 . . . . A 26 ILE CG2 . 36703 1 114 . 1 . 1 26 26 ILE N N 15 116.972 0.3 . 1 . . . . A 26 ILE N . 36703 1 115 . 1 . 1 27 27 LYS C C 13 178.035 0.3 . 1 . . . . A 27 LYS C . 36703 1 116 . 1 . 1 27 27 LYS CA C 13 58.049 0.3 . 1 . . . . A 27 LYS CA . 36703 1 117 . 1 . 1 27 27 LYS CB C 13 31.296 0.3 . 1 . . . . A 27 LYS CB . 36703 1 118 . 1 . 1 27 27 LYS CE C 13 41.414 0.3 . 1 . . . . A 27 LYS CE . 36703 1 119 . 1 . 1 27 27 LYS N N 15 118.268 0.3 . 1 . . . . A 27 LYS N . 36703 1 120 . 1 . 1 28 28 VAL C C 13 178.078 0.3 . 1 . . . . A 28 VAL C . 36703 1 121 . 1 . 1 28 28 VAL CA C 13 67.057 0.3 . 1 . . . . A 28 VAL CA . 36703 1 122 . 1 . 1 28 28 VAL CB C 13 31.331 0.3 . 1 . . . . A 28 VAL CB . 36703 1 123 . 1 . 1 28 28 VAL CG1 C 13 22.963 0.3 . 2 . . . . A 28 VAL CG1 . 36703 1 124 . 1 . 1 28 28 VAL CG2 C 13 21.535 0.3 . 2 . . . . A 28 VAL CG2 . 36703 1 125 . 1 . 1 28 28 VAL N N 15 117.049 0.3 . 1 . . . . A 28 VAL N . 36703 1 126 . 1 . 1 29 29 LEU C C 13 175.296 0.3 . 1 . . . . A 29 LEU C . 36703 1 127 . 1 . 1 29 29 LEU CA C 13 58.015 0.3 . 1 . . . . A 29 LEU CA . 36703 1 128 . 1 . 1 29 29 LEU CB C 13 42.127 0.3 . 1 . . . . A 29 LEU CB . 36703 1 129 . 1 . 1 29 29 LEU CD1 C 13 24.32 0.3 . 2 . . . . A 29 LEU CD1 . 36703 1 130 . 1 . 1 29 29 LEU CG C 13 26.824 0.3 . 1 . . . . A 29 LEU CG . 36703 1 131 . 1 . 1 29 29 LEU N N 15 122.196 0.3 . 1 . . . . A 29 LEU N . 36703 1 132 . 1 . 1 30 30 LYS C C 13 178.791 0.3 . 1 . . . . A 30 LYS C . 36703 1 133 . 1 . 1 30 30 LYS CA C 13 57.945 0.3 . 1 . . . . A 30 LYS CA . 36703 1 134 . 1 . 1 30 30 LYS CB C 13 27.119 0.3 . 1 . . . . A 30 LYS CB . 36703 1 135 . 1 . 1 30 30 LYS CD C 13 26.279 0.3 . 1 . . . . A 30 LYS CD . 36703 1 136 . 1 . 1 30 30 LYS CE C 13 41.912 0.3 . 1 . . . . A 30 LYS CE . 36703 1 137 . 1 . 1 30 30 LYS CG C 13 24.111 0.3 . 1 . . . . A 30 LYS CG . 36703 1 138 . 1 . 1 30 30 LYS N N 15 132.833 0.3 . 1 . . . . A 30 LYS N . 36703 1 139 . 1 . 1 31 31 THR C C 13 175.603 0.3 . 1 . . . . A 31 THR C . 36703 1 140 . 1 . 1 31 31 THR CA C 13 62.054 0.3 . 1 . . . . A 31 THR CA . 36703 1 141 . 1 . 1 31 31 THR CB C 13 70.461 0.3 . 1 . . . . A 31 THR CB . 36703 1 142 . 1 . 1 31 31 THR CG2 C 13 21.742 0.3 . 1 . . . . A 31 THR CG2 . 36703 1 143 . 1 . 1 31 31 THR N N 15 106.148 0.3 . 1 . . . . A 31 THR N . 36703 1 144 . 1 . 1 32 32 ARG C C 13 174.504 0.3 . 1 . . . . A 32 ARG C . 36703 1 145 . 1 . 1 32 32 ARG CA C 13 55.956 0.3 . 1 . . . . A 32 ARG CA . 36703 1 146 . 1 . 1 32 32 ARG CB C 13 27.221 0.3 . 1 . . . . A 32 ARG CB . 36703 1 147 . 1 . 1 32 32 ARG N N 15 120.06 0.3 . 1 . . . . A 32 ARG N . 36703 1 148 . 1 . 1 33 33 SER C C 13 173.241 0.3 . 1 . . . . A 33 SER C . 36703 1 149 . 1 . 1 33 33 SER CA C 13 56.869 0.3 . 1 . . . . A 33 SER CA . 36703 1 150 . 1 . 1 33 33 SER CB C 13 63.335 0.3 . 1 . . . . A 33 SER CB . 36703 1 151 . 1 . 1 33 33 SER N N 15 109.653 0.3 . 1 . . . . A 33 SER N . 36703 1 152 . 1 . 1 34 34 ALA C C 13 175.993 0.3 . 1 . . . . A 34 ALA C . 36703 1 153 . 1 . 1 34 34 ALA CA C 13 50.06 0.3 . 1 . . . . A 34 ALA CA . 36703 1 154 . 1 . 1 34 34 ALA CB C 13 20.321 0.3 . 1 . . . . A 34 ALA CB . 36703 1 155 . 1 . 1 34 34 ALA N N 15 126.493 0.3 . 1 . . . . A 34 ALA N . 36703 1 156 . 1 . 1 35 35 ARG C C 13 178.578 0.3 . 1 . . . . A 35 ARG C . 36703 1 157 . 1 . 1 35 35 ARG CA C 13 60.094 0.3 . 1 . . . . A 35 ARG CA . 36703 1 158 . 1 . 1 35 35 ARG CB C 13 29.93 0.3 . 1 . . . . A 35 ARG CB . 36703 1 159 . 1 . 1 35 35 ARG CD C 13 42.063 0.3 . 1 . . . . A 35 ARG CD . 36703 1 160 . 1 . 1 35 35 ARG CG C 13 25.992 0.3 . 1 . . . . A 35 ARG CG . 36703 1 161 . 1 . 1 35 35 ARG N N 15 126.395 0.3 . 1 . . . . A 35 ARG N . 36703 1 162 . 1 . 1 36 36 ASP C C 13 176.52 0.3 . 1 . . . . A 36 ASP C . 36703 1 163 . 1 . 1 36 36 ASP CA C 13 55.544 0.3 . 1 . . . . A 36 ASP CA . 36703 1 164 . 1 . 1 36 36 ASP CB C 13 42.017 0.3 . 1 . . . . A 36 ASP CB . 36703 1 165 . 1 . 1 36 36 ASP N N 15 111.803 0.3 . 1 . . . . A 36 ASP N . 36703 1 166 . 1 . 1 37 37 ILE C C 13 175.954 0.3 . 1 . . . . A 37 ILE C . 36703 1 167 . 1 . 1 37 37 ILE CA C 13 59.487 0.3 . 1 . . . . A 37 ILE CA . 36703 1 168 . 1 . 1 37 37 ILE CB C 13 37.784 0.3 . 1 . . . . A 37 ILE CB . 36703 1 169 . 1 . 1 37 37 ILE CG1 C 13 28.237 0.3 . 1 . . . . A 37 ILE CG1 . 36703 1 170 . 1 . 1 37 37 ILE CG2 C 13 17.581 0.3 . 1 . . . . A 37 ILE CG2 . 36703 1 171 . 1 . 1 37 37 ILE N N 15 118.184 0.3 . 1 . . . . A 37 ILE N . 36703 1 172 . 1 . 1 38 38 SER C C 13 175.096 0.3 . 1 . . . . A 38 SER C . 36703 1 173 . 1 . 1 38 38 SER CA C 13 56.202 0.3 . 1 . . . . A 38 SER CA . 36703 1 174 . 1 . 1 38 38 SER CB C 13 62.343 0.3 . 1 . . . . A 38 SER CB . 36703 1 175 . 1 . 1 38 38 SER N N 15 120.296 0.3 . 1 . . . . A 38 SER N . 36703 1 176 . 1 . 1 39 39 LEU C C 13 178.507 0.3 . 1 . . . . A 39 LEU C . 36703 1 177 . 1 . 1 39 39 LEU CA C 13 58.127 0.3 . 1 . . . . A 39 LEU CA . 36703 1 178 . 1 . 1 39 39 LEU CB C 13 42.037 0.3 . 1 . . . . A 39 LEU CB . 36703 1 179 . 1 . 1 39 39 LEU CD1 C 13 24.239 0.3 . 2 . . . . A 39 LEU CD1 . 36703 1 180 . 1 . 1 39 39 LEU CD2 C 13 23.177 0.3 . 2 . . . . A 39 LEU CD2 . 36703 1 181 . 1 . 1 39 39 LEU CG C 13 27.116 0.3 . 1 . . . . A 39 LEU CG . 36703 1 182 . 1 . 1 39 39 LEU N N 15 132.65 0.3 . 1 . . . . A 39 LEU N . 36703 1 183 . 1 . 1 40 40 GLY C C 13 174.441 0.3 . 1 . . . . A 40 GLY C . 36703 1 184 . 1 . 1 40 40 GLY CA C 13 47.693 0.3 . 1 . . . . A 40 GLY CA . 36703 1 185 . 1 . 1 40 40 GLY N N 15 105.972 0.3 . 1 . . . . A 40 GLY N . 36703 1 186 . 1 . 1 41 41 MET C C 13 177.504 0.3 . 1 . . . . A 41 MET C . 36703 1 187 . 1 . 1 41 41 MET CA C 13 58.529 0.3 . 1 . . . . A 41 MET CA . 36703 1 188 . 1 . 1 41 41 MET CB C 13 33.521 0.3 . 1 . . . . A 41 MET CB . 36703 1 189 . 1 . 1 41 41 MET CG C 13 31.909 0.3 . 1 . . . . A 41 MET CG . 36703 1 190 . 1 . 1 41 41 MET N N 15 118.545 0.3 . 1 . . . . A 41 MET N . 36703 1 191 . 1 . 1 42 42 PHE C C 13 177.391 0.3 . 1 . . . . A 42 PHE C . 36703 1 192 . 1 . 1 42 42 PHE CA C 13 64.044 0.3 . 1 . . . . A 42 PHE CA . 36703 1 193 . 1 . 1 42 42 PHE CB C 13 39.498 0.3 . 1 . . . . A 42 PHE CB . 36703 1 194 . 1 . 1 42 42 PHE N N 15 114.877 0.3 . 1 . . . . A 42 PHE N . 36703 1 195 . 1 . 1 43 43 LEU C C 13 178.507 0.3 . 1 . . . . A 43 LEU C . 36703 1 196 . 1 . 1 43 43 LEU CA C 13 58.225 0.3 . 1 . . . . A 43 LEU CA . 36703 1 197 . 1 . 1 43 43 LEU CB C 13 41.633 0.3 . 1 . . . . A 43 LEU CB . 36703 1 198 . 1 . 1 43 43 LEU CG C 13 26.706 0.3 . 1 . . . . A 43 LEU CG . 36703 1 199 . 1 . 1 43 43 LEU N N 15 119.599 0.3 . 1 . . . . A 43 LEU N . 36703 1 200 . 1 . 1 44 44 VAL C C 13 177.394 0.3 . 1 . . . . A 44 VAL C . 36703 1 201 . 1 . 1 44 44 VAL CA C 13 66.036 0.3 . 1 . . . . A 44 VAL CA . 36703 1 202 . 1 . 1 44 44 VAL CB C 13 29.667 0.3 . 1 . . . . A 44 VAL CB . 36703 1 203 . 1 . 1 44 44 VAL CG1 C 13 23.312 0.3 . 2 . . . . A 44 VAL CG1 . 36703 1 204 . 1 . 1 44 44 VAL CG2 C 13 21.823 0.3 . 2 . . . . A 44 VAL CG2 . 36703 1 205 . 1 . 1 44 44 VAL N N 15 119.984 0.3 . 1 . . . . A 44 VAL N . 36703 1 206 . 1 . 1 45 45 MET C C 13 178.51 0.3 . 1 . . . . A 45 MET C . 36703 1 207 . 1 . 1 45 45 MET CA C 13 58.178 0.3 . 1 . . . . A 45 MET CA . 36703 1 208 . 1 . 1 45 45 MET CB C 13 31.612 0.3 . 1 . . . . A 45 MET CB . 36703 1 209 . 1 . 1 45 45 MET CG C 13 29.457 0.3 . 1 . . . . A 45 MET CG . 36703 1 210 . 1 . 1 45 45 MET N N 15 121.088 0.3 . 1 . . . . A 45 MET N . 36703 1 211 . 1 . 1 46 46 VAL C C 13 177.331 0.3 . 1 . . . . A 46 VAL C . 36703 1 212 . 1 . 1 46 46 VAL CA C 13 66.031 0.3 . 1 . . . . A 46 VAL CA . 36703 1 213 . 1 . 1 46 46 VAL CB C 13 31.367 0.3 . 1 . . . . A 46 VAL CB . 36703 1 214 . 1 . 1 46 46 VAL CG1 C 13 23.209 0.3 . 2 . . . . A 46 VAL CG1 . 36703 1 215 . 1 . 1 46 46 VAL CG2 C 13 21.806 0.3 . 2 . . . . A 46 VAL CG2 . 36703 1 216 . 1 . 1 46 46 VAL N N 15 118.899 0.3 . 1 . . . . A 46 VAL N . 36703 1 217 . 1 . 1 47 47 LEU C C 13 178.007 0.3 . 1 . . . . A 47 LEU C . 36703 1 218 . 1 . 1 47 47 LEU CA C 13 58.3 0.3 . 1 . . . . A 47 LEU CA . 36703 1 219 . 1 . 1 47 47 LEU CB C 13 41.251 0.3 . 1 . . . . A 47 LEU CB . 36703 1 220 . 1 . 1 47 47 LEU CD1 C 13 24.072 0.3 . 2 . . . . A 47 LEU CD1 . 36703 1 221 . 1 . 1 47 47 LEU CD2 C 13 23.102 0.3 . 2 . . . . A 47 LEU CD2 . 36703 1 222 . 1 . 1 47 47 LEU CG C 13 27.093 0.3 . 1 . . . . A 47 LEU CG . 36703 1 223 . 1 . 1 47 47 LEU N N 15 120.372 0.3 . 1 . . . . A 47 LEU N . 36703 1 224 . 1 . 1 48 48 GLY C C 13 174.696 0.3 . 1 . . . . A 48 GLY C . 36703 1 225 . 1 . 1 48 48 GLY CA C 13 48.648 0.3 . 1 . . . . A 48 GLY CA . 36703 1 226 . 1 . 1 48 48 GLY N N 15 105.305 0.3 . 1 . . . . A 48 GLY N . 36703 1 227 . 1 . 1 49 49 LEU C C 13 178.809 0.3 . 1 . . . . A 49 LEU C . 36703 1 228 . 1 . 1 49 49 LEU CA C 13 57.749 0.3 . 1 . . . . A 49 LEU CA . 36703 1 229 . 1 . 1 49 49 LEU CB C 13 41.983 0.3 . 1 . . . . A 49 LEU CB . 36703 1 230 . 1 . 1 49 49 LEU CD1 C 13 22.913 0.3 . 2 . . . . A 49 LEU CD1 . 36703 1 231 . 1 . 1 49 49 LEU CG C 13 26.447 0.3 . 1 . . . . A 49 LEU CG . 36703 1 232 . 1 . 1 49 49 LEU N N 15 121.117 0.3 . 1 . . . . A 49 LEU N . 36703 1 233 . 1 . 1 50 50 ALA C C 13 177.476 0.3 . 1 . . . . A 50 ALA C . 36703 1 234 . 1 . 1 50 50 ALA CA C 13 55.307 0.3 . 1 . . . . A 50 ALA CA . 36703 1 235 . 1 . 1 50 50 ALA CB C 13 18.273 0.3 . 1 . . . . A 50 ALA CB . 36703 1 236 . 1 . 1 50 50 ALA N N 15 121.21 0.3 . 1 . . . . A 50 ALA N . 36703 1 237 . 1 . 1 51 51 LEU C C 13 179.17 0.3 . 1 . . . . A 51 LEU C . 36703 1 238 . 1 . 1 51 51 LEU CA C 13 58.037 0.3 . 1 . . . . A 51 LEU CA . 36703 1 239 . 1 . 1 51 51 LEU CB C 13 42.019 0.3 . 1 . . . . A 51 LEU CB . 36703 1 240 . 1 . 1 51 51 LEU CD1 C 13 22.966 0.3 . 2 . . . . A 51 LEU CD1 . 36703 1 241 . 1 . 1 51 51 LEU CG C 13 26.483 0.3 . 1 . . . . A 51 LEU CG . 36703 1 242 . 1 . 1 51 51 LEU N N 15 121.215 0.3 . 1 . . . . A 51 LEU N . 36703 1 243 . 1 . 1 52 52 TRP C C 13 179.973 0.3 . 1 . . . . A 52 TRP C . 36703 1 244 . 1 . 1 52 52 TRP CA C 13 59.758 0.3 . 1 . . . . A 52 TRP CA . 36703 1 245 . 1 . 1 52 52 TRP CB C 13 29.531 0.3 . 1 . . . . A 52 TRP CB . 36703 1 246 . 1 . 1 52 52 TRP N N 15 121.321 0.3 . 1 . . . . A 52 TRP N . 36703 1 247 . 1 . 1 53 53 LEU C C 13 178.803 0.3 . 1 . . . . A 53 LEU C . 36703 1 248 . 1 . 1 53 53 LEU CA C 13 58.788 0.3 . 1 . . . . A 53 LEU CA . 36703 1 249 . 1 . 1 53 53 LEU CB C 13 41.439 0.3 . 1 . . . . A 53 LEU CB . 36703 1 250 . 1 . 1 53 53 LEU CD1 C 13 23.990 0.3 . 2 . . . . A 53 LEU CD1 . 36703 1 251 . 1 . 1 53 53 LEU CG C 13 26.328 0.3 . 1 . . . . A 53 LEU CG . 36703 1 252 . 1 . 1 53 53 LEU N N 15 120.322 0.3 . 1 . . . . A 53 LEU N . 36703 1 253 . 1 . 1 54 54 ILE C C 13 177.403 0.3 . 1 . . . . A 54 ILE C . 36703 1 254 . 1 . 1 54 54 ILE CA C 13 66.01 0.3 . 1 . . . . A 54 ILE CA . 36703 1 255 . 1 . 1 54 54 ILE CB C 13 37.717 0.3 . 1 . . . . A 54 ILE CB . 36703 1 256 . 1 . 1 54 54 ILE CG1 C 13 31.451 0.3 . 1 . . . . A 54 ILE CG1 . 36703 1 257 . 1 . 1 54 54 ILE CG2 C 13 18.224 0.3 . 1 . . . . A 54 ILE CG2 . 36703 1 258 . 1 . 1 54 54 ILE N N 15 118.946 0.3 . 1 . . . . A 54 ILE N . 36703 1 259 . 1 . 1 55 55 TYR C C 13 179.397 0.3 . 1 . . . . A 55 TYR C . 36703 1 260 . 1 . 1 55 55 TYR CA C 13 62.202 0.3 . 1 . . . . A 55 TYR CA . 36703 1 261 . 1 . 1 55 55 TYR CB C 13 38.773 0.3 . 1 . . . . A 55 TYR CB . 36703 1 262 . 1 . 1 55 55 TYR N N 15 120.566 0.3 . 1 . . . . A 55 TYR N . 36703 1 263 . 1 . 1 56 56 GLY C C 13 175.273 0.3 . 1 . . . . A 56 GLY C . 36703 1 264 . 1 . 1 56 56 GLY CA C 13 47.932 0.3 . 1 . . . . A 56 GLY CA . 36703 1 265 . 1 . 1 56 56 GLY N N 15 109.303 0.3 . 1 . . . . A 56 GLY N . 36703 1 266 . 1 . 1 57 57 LEU C C 13 179.714 0.3 . 1 . . . . A 57 LEU C . 36703 1 267 . 1 . 1 57 57 LEU CA C 13 57.993 0.3 . 1 . . . . A 57 LEU CA . 36703 1 268 . 1 . 1 57 57 LEU CB C 13 42.301 0.3 . 1 . . . . A 57 LEU CB . 36703 1 269 . 1 . 1 57 57 LEU CD1 C 13 24.32 0.3 . 2 . . . . A 57 LEU CD1 . 36703 1 270 . 1 . 1 57 57 LEU CG C 13 27.215 0.3 . 1 . . . . A 57 LEU CG . 36703 1 271 . 1 . 1 57 57 LEU N N 15 123.015 0.3 . 1 . . . . A 57 LEU N . 36703 1 272 . 1 . 1 58 58 LEU C C 13 178.398 0.3 . 1 . . . . A 58 LEU C . 36703 1 273 . 1 . 1 58 58 LEU CA C 13 57.066 0.3 . 1 . . . . A 58 LEU CA . 36703 1 274 . 1 . 1 58 58 LEU CB C 13 42.272 0.3 . 1 . . . . A 58 LEU CB . 36703 1 275 . 1 . 1 58 58 LEU CD1 C 13 23.62 0.3 . 2 . . . . A 58 LEU CD1 . 36703 1 276 . 1 . 1 58 58 LEU CD2 C 13 22.768 0.3 . 2 . . . . A 58 LEU CD2 . 36703 1 277 . 1 . 1 58 58 LEU CG C 13 26.846 0.3 . 1 . . . . A 58 LEU CG . 36703 1 278 . 1 . 1 58 58 LEU N N 15 117.496 0.3 . 1 . . . . A 58 LEU N . 36703 1 279 . 1 . 1 59 59 SER C C 13 174.917 0.3 . 1 . . . . A 59 SER C . 36703 1 280 . 1 . 1 59 59 SER CA C 13 58.46 0.3 . 1 . . . . A 59 SER CA . 36703 1 281 . 1 . 1 59 59 SER CB C 13 63.972 0.3 . 1 . . . . A 59 SER CB . 36703 1 282 . 1 . 1 59 59 SER N N 15 111.106 0.3 . 1 . . . . A 59 SER N . 36703 1 283 . 1 . 1 60 60 GLY C C 13 173.701 0.3 . 1 . . . . A 60 GLY C . 36703 1 284 . 1 . 1 60 60 GLY CA C 13 46.848 0.3 . 1 . . . . A 60 GLY CA . 36703 1 285 . 1 . 1 60 60 GLY N N 15 112.398 0.3 . 1 . . . . A 60 GLY N . 36703 1 286 . 1 . 1 61 61 ASP C C 13 174.005 0.3 . 1 . . . . A 61 ASP C . 36703 1 287 . 1 . 1 61 61 ASP CA C 13 53.424 0.3 . 1 . . . . A 61 ASP CA . 36703 1 288 . 1 . 1 61 61 ASP CB C 13 43.175 0.3 . 1 . . . . A 61 ASP CB . 36703 1 289 . 1 . 1 61 61 ASP N N 15 121.806 0.3 . 1 . . . . A 61 ASP N . 36703 1 290 . 1 . 1 62 62 ALA C C 13 176.156 0.3 . 1 . . . . A 62 ALA C . 36703 1 291 . 1 . 1 62 62 ALA CA C 13 56.739 0.3 . 1 . . . . A 62 ALA CA . 36703 1 292 . 1 . 1 62 62 ALA CB C 13 17.189 0.3 . 1 . . . . A 62 ALA CB . 36703 1 293 . 1 . 1 62 62 ALA N N 15 127.437 0.3 . 1 . . . . A 62 ALA N . 36703 1 294 . 1 . 1 63 63 PRO C C 13 178.762 0.3 . 1 . . . . A 63 PRO C . 36703 1 295 . 1 . 1 63 63 PRO CA C 13 66.895 0.3 . 1 . . . . A 63 PRO CA . 36703 1 296 . 1 . 1 63 63 PRO CB C 13 30.913 0.3 . 1 . . . . A 63 PRO CB . 36703 1 297 . 1 . 1 63 63 PRO CD C 13 49.672 0.3 . 1 . . . . A 63 PRO CD . 36703 1 298 . 1 . 1 63 63 PRO CG C 13 28.938 0.3 . 1 . . . . A 63 PRO CG . 36703 1 299 . 1 . 1 63 63 PRO N N 15 134.657 0.3 . 1 . . . . A 63 PRO N . 36703 1 300 . 1 . 1 64 64 LEU C C 13 180.999 0.3 . 1 . . . . A 64 LEU C . 36703 1 301 . 1 . 1 64 64 LEU CA C 13 58.189 0.3 . 1 . . . . A 64 LEU CA . 36703 1 302 . 1 . 1 64 64 LEU CB C 13 42.102 0.3 . 1 . . . . A 64 LEU CB . 36703 1 303 . 1 . 1 64 64 LEU CG C 13 27.163 0.3 . 1 . . . . A 64 LEU CG . 36703 1 304 . 1 . 1 64 64 LEU N N 15 118.606 0.3 . 1 . . . . A 64 LEU N . 36703 1 305 . 1 . 1 65 65 ILE C C 13 176.797 0.3 . 1 . . . . A 65 ILE C . 36703 1 306 . 1 . 1 65 65 ILE CA C 13 65.451 0.3 . 1 . . . . A 65 ILE CA . 36703 1 307 . 1 . 1 65 65 ILE CB C 13 38.547 0.3 . 1 . . . . A 65 ILE CB . 36703 1 308 . 1 . 1 65 65 ILE CD1 C 13 15.091 0.3 . 1 . . . . A 65 ILE CD1 . 36703 1 309 . 1 . 1 65 65 ILE CG1 C 13 29.517 0.3 . 1 . . . . A 65 ILE CG1 . 36703 1 310 . 1 . 1 65 65 ILE CG2 C 13 17.764 0.3 . 1 . . . . A 65 ILE CG2 . 36703 1 311 . 1 . 1 65 65 ILE N N 15 121.607 0.3 . 1 . . . . A 65 ILE N . 36703 1 312 . 1 . 1 66 66 ALA C C 13 176.637 0.3 . 1 . . . . A 66 ALA C . 36703 1 313 . 1 . 1 66 66 ALA CA C 13 55.642 0.3 . 1 . . . . A 66 ALA CA . 36703 1 314 . 1 . 1 66 66 ALA CB C 13 19.034 0.3 . 1 . . . . A 66 ALA CB . 36703 1 315 . 1 . 1 66 66 ALA N N 15 118.878 0.3 . 1 . . . . A 66 ALA N . 36703 1 316 . 1 . 1 67 67 SER C C 13 176.49 0.3 . 1 . . . . A 67 SER C . 36703 1 317 . 1 . 1 67 67 SER CA C 13 65.446 0.3 . 1 . . . . A 67 SER CA . 36703 1 318 . 1 . 1 67 67 SER CB C 13 68.404 0.3 . 1 . . . . A 67 SER CB . 36703 1 319 . 1 . 1 67 67 SER N N 15 118.736 0.3 . 1 . . . . A 67 SER N . 36703 1 320 . 1 . 1 68 68 ASN C C 13 176.976 0.3 . 1 . . . . A 68 ASN C . 36703 1 321 . 1 . 1 68 68 ASN CA C 13 60.009 0.3 . 1 . . . . A 68 ASN CA . 36703 1 322 . 1 . 1 68 68 ASN CB C 13 37.878 0.3 . 1 . . . . A 68 ASN CB . 36703 1 323 . 1 . 1 68 68 ASN CG C 13 178.294 0.3 . 1 . . . . A 68 ASN CG . 36703 1 324 . 1 . 1 68 68 ASN N N 15 118.733 0.3 . 1 . . . . A 68 ASN N . 36703 1 325 . 1 . 1 68 68 ASN ND2 N 15 119.38 0.3 . 1 . . . . A 68 ASN ND2 . 36703 1 326 . 1 . 1 69 69 ALA C C 13 178.816 0.3 . 1 . . . . A 69 ALA C . 36703 1 327 . 1 . 1 69 69 ALA CA C 13 55.573 0.3 . 1 . . . . A 69 ALA CA . 36703 1 328 . 1 . 1 69 69 ALA CB C 13 18.974 0.3 . 1 . . . . A 69 ALA CB . 36703 1 329 . 1 . 1 69 69 ALA N N 15 118.768 0.3 . 1 . . . . A 69 ALA N . 36703 1 330 . 1 . 1 70 70 VAL C C 13 180.028 0.3 . 1 . . . . A 70 VAL C . 36703 1 331 . 1 . 1 70 70 VAL CA C 13 66.746 0.3 . 1 . . . . A 70 VAL CA . 36703 1 332 . 1 . 1 70 70 VAL CB C 13 31.602 0.3 . 1 . . . . A 70 VAL CB . 36703 1 333 . 1 . 1 70 70 VAL N N 15 115.465 0.3 . 1 . . . . A 70 VAL N . 36703 1 334 . 1 . 1 71 71 THR C C 13 175.903 0.3 . 1 . . . . A 71 THR C . 36703 1 335 . 1 . 1 71 71 THR CA C 13 65.382 0.3 . 1 . . . . A 71 THR CA . 36703 1 336 . 1 . 1 71 71 THR CB C 13 68.671 0.3 . 1 . . . . A 71 THR CB . 36703 1 337 . 1 . 1 71 71 THR N N 15 116.457 0.3 . 1 . . . . A 71 THR N . 36703 1 338 . 1 . 1 72 72 MET C C 13 177.752 0.3 . 1 . . . . A 72 MET C . 36703 1 339 . 1 . 1 72 72 MET CA C 13 64.485 0.3 . 1 . . . . A 72 MET CA . 36703 1 340 . 1 . 1 72 72 MET CB C 13 31.589 0.3 . 1 . . . . A 72 MET CB . 36703 1 341 . 1 . 1 72 72 MET N N 15 113.547 0.3 . 1 . . . . A 72 MET N . 36703 1 342 . 1 . 1 73 73 LEU C C 13 179.573 0.3 . 1 . . . . A 73 LEU C . 36703 1 343 . 1 . 1 73 73 LEU CA C 13 58.134 0.3 . 1 . . . . A 73 LEU CA . 36703 1 344 . 1 . 1 73 73 LEU CB C 13 42.476 0.3 . 1 . . . . A 73 LEU CB . 36703 1 345 . 1 . 1 73 73 LEU N N 15 122.038 0.3 . 1 . . . . A 73 LEU N . 36703 1 346 . 1 . 1 74 74 LEU C C 13 178.8 0.3 . 1 . . . . A 74 LEU C . 36703 1 347 . 1 . 1 74 74 LEU CA C 13 57.843 0.3 . 1 . . . . A 74 LEU CA . 36703 1 348 . 1 . 1 74 74 LEU CB C 13 41.859 0.3 . 1 . . . . A 74 LEU CB . 36703 1 349 . 1 . 1 74 74 LEU N N 15 117.159 0.3 . 1 . . . . A 74 LEU N . 36703 1 350 . 1 . 1 75 75 ALA C C 13 180.012 0.3 . 1 . . . . A 75 ALA C . 36703 1 351 . 1 . 1 75 75 ALA CA C 13 55.221 0.3 . 1 . . . . A 75 ALA CA . 36703 1 352 . 1 . 1 75 75 ALA CB C 13 17.577 0.3 . 1 . . . . A 75 ALA CB . 36703 1 353 . 1 . 1 75 75 ALA N N 15 121.118 0.3 . 1 . . . . A 75 ALA N . 36703 1 354 . 1 . 1 76 76 GLY C C 13 175.337 0.3 . 1 . . . . A 76 GLY C . 36703 1 355 . 1 . 1 76 76 GLY CA C 13 46.504 0.3 . 1 . . . . A 76 GLY CA . 36703 1 356 . 1 . 1 76 76 GLY N N 15 106.904 0.3 . 1 . . . . A 76 GLY N . 36703 1 357 . 1 . 1 77 77 GLY C C 13 175.154 0.3 . 1 . . . . A 77 GLY C . 36703 1 358 . 1 . 1 77 77 GLY CA C 13 47.861 0.3 . 1 . . . . A 77 GLY CA . 36703 1 359 . 1 . 1 77 77 GLY N N 15 109.262 0.3 . 1 . . . . A 77 GLY N . 36703 1 360 . 1 . 1 78 78 ILE C C 13 176.6 0.3 . 1 . . . . A 78 ILE C . 36703 1 361 . 1 . 1 78 78 ILE CA C 13 66.072 0.3 . 1 . . . . A 78 ILE CA . 36703 1 362 . 1 . 1 78 78 ILE CB C 13 37.475 0.3 . 1 . . . . A 78 ILE CB . 36703 1 363 . 1 . 1 78 78 ILE CD1 C 13 15.784 0.3 . 1 . . . . A 78 ILE CD1 . 36703 1 364 . 1 . 1 78 78 ILE CG1 C 13 31.040 0.3 . 1 . . . . A 78 ILE CG1 . 36703 1 365 . 1 . 1 78 78 ILE CG2 C 13 16.530 0.3 . 1 . . . . A 78 ILE CG2 . 36703 1 366 . 1 . 1 78 78 ILE N N 15 122.264 0.3 . 1 . . . . A 78 ILE N . 36703 1 367 . 1 . 1 79 79 LEU C C 13 178.769 0.3 . 1 . . . . A 79 LEU C . 36703 1 368 . 1 . 1 79 79 LEU CA C 13 58.586 0.3 . 1 . . . . A 79 LEU CA . 36703 1 369 . 1 . 1 79 79 LEU CB C 13 41.226 0.3 . 1 . . . . A 79 LEU CB . 36703 1 370 . 1 . 1 79 79 LEU N N 15 120.45 0.3 . 1 . . . . A 79 LEU N . 36703 1 371 . 1 . 1 80 80 VAL C C 13 178.12 0.3 . 1 . . . . A 80 VAL C . 36703 1 372 . 1 . 1 80 80 VAL CA C 13 66.045 0.3 . 1 . . . . A 80 VAL CA . 36703 1 373 . 1 . 1 80 80 VAL CB C 13 31.483 0.3 . 1 . . . . A 80 VAL CB . 36703 1 374 . 1 . 1 80 80 VAL N N 15 118.927 0.3 . 1 . . . . A 80 VAL N . 36703 1 375 . 1 . 1 81 81 MET C C 13 179.719 0.3 . 1 . . . . A 81 MET C . 36703 1 376 . 1 . 1 81 81 MET CA C 13 58.1 0.3 . 1 . . . . A 81 MET CA . 36703 1 377 . 1 . 1 81 81 MET CB C 13 31.719 0.3 . 1 . . . . A 81 MET CB . 36703 1 378 . 1 . 1 81 81 MET CG C 13 29.432 0.3 . 1 . . . . A 81 MET CG . 36703 1 379 . 1 . 1 81 81 MET N N 15 122.015 0.3 . 1 . . . . A 81 MET N . 36703 1 380 . 1 . 1 82 82 LYS C C 13 179.726 0.3 . 1 . . . . A 82 LYS C . 36703 1 381 . 1 . 1 82 82 LYS CA C 13 57.979 0.3 . 1 . . . . A 82 LYS CA . 36703 1 382 . 1 . 1 82 82 LYS CB C 13 26.38 0.3 . 1 . . . . A 82 LYS CB . 36703 1 383 . 1 . 1 82 82 LYS N N 15 117.125 0.3 . 1 . . . . A 82 LYS N . 36703 1 384 . 1 . 1 83 83 LEU C C 13 178.004 0.3 . 1 . . . . A 83 LEU C . 36703 1 385 . 1 . 1 83 83 LEU CA C 13 58.595 0.3 . 1 . . . . A 83 LEU CA . 36703 1 386 . 1 . 1 83 83 LEU CB C 13 42.845 0.3 . 1 . . . . A 83 LEU CB . 36703 1 387 . 1 . 1 83 83 LEU N N 15 120.582 0.3 . 1 . . . . A 83 LEU N . 36703 1 388 . 1 . 1 84 84 ARG C C 13 178.78 0.3 . 1 . . . . A 84 ARG C . 36703 1 389 . 1 . 1 84 84 ARG CA C 13 57.311 0.3 . 1 . . . . A 84 ARG CA . 36703 1 390 . 1 . 1 84 84 ARG CB C 13 31.237 0.3 . 1 . . . . A 84 ARG CB . 36703 1 391 . 1 . 1 84 84 ARG N N 15 117.054 0.3 . 1 . . . . A 84 ARG N . 36703 1 stop_ save_