data_31125 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31125 _Entry.Title ; EmrE structure in the proton-bound state (WT/L51I heterodimer) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-11-08 _Entry.Accession_date 2023-11-08 _Entry.Last_release_date 2023-12-04 _Entry.Original_release_date 2023-12-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 J. Li J. . . . 31125 2 A. 'Sae Her' A. . . . 31125 3 A. Besch A. . . . 31125 4 B. Ramirez B. . . . 31125 5 M. Crames M. . . . 31125 6 J. Banigan J. R. . . 31125 7 C. Mueller C. . . . 31125 8 W. Marsiglia W. M. . . 31125 9 Y. Zhang Y. . . . 31125 10 N. Traaseth N. J. . . 31125 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MEMBRANE PROTEIN' . 31125 'Multidrug transporter' . 31125 'efflux pump' . 31125 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31125 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 534 31125 '15N chemical shifts' 204 31125 '1H chemical shifts' 169 31125 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 . . 2024-05-23 . original BMRB . 31125 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8UWU 'BMRB Entry Tracking System' 31125 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31125 _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 ; Molecular Basis of Drug Recognition by EmrE ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 . _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 J. Li J. . . . 31125 1 2 A. 'Sae Her' A. . . . 31125 1 3 A. Besch A. . . . 31125 1 4 B. Ramirez B. . . . 31125 1 5 M. Crames M. . . . 31125 1 6 J. Banigan J. R. . . 31125 1 7 C. Mueller C. . . . 31125 1 8 W. Marsiglia W. M. . . 31125 1 9 Y. Zhang Y. . . . 31125 1 10 N. Traaseth N. J. . . 31125 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31125 _Assembly.ID 1 _Assembly.Name 'SMR family multidrug efflux protein EmrE' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31125 1 2 unit_2 2 $entity_2 B B yes . . . . . . 31125 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31125 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNPYIYLGGAILAEVIGTTL MKFSEGFTRLWPSVGTIICY CASFWLLAQTIAYIPTGIAY AIWSGVGIVLISLLSWGFFG QRLDLPAIIGMMLICAGVLI INLLSRSTPH ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation L51I _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11963.278 _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 . MET . 31125 1 2 . ASN . 31125 1 3 . PRO . 31125 1 4 . TYR . 31125 1 5 . ILE . 31125 1 6 . TYR . 31125 1 7 . LEU . 31125 1 8 . GLY . 31125 1 9 . GLY . 31125 1 10 . ALA . 31125 1 11 . ILE . 31125 1 12 . LEU . 31125 1 13 . ALA . 31125 1 14 . GLU . 31125 1 15 . VAL . 31125 1 16 . ILE . 31125 1 17 . GLY . 31125 1 18 . THR . 31125 1 19 . THR . 31125 1 20 . LEU . 31125 1 21 . MET . 31125 1 22 . LYS . 31125 1 23 . PHE . 31125 1 24 . SER . 31125 1 25 . GLU . 31125 1 26 . GLY . 31125 1 27 . PHE . 31125 1 28 . THR . 31125 1 29 . ARG . 31125 1 30 . LEU . 31125 1 31 . TRP . 31125 1 32 . PRO . 31125 1 33 . SER . 31125 1 34 . VAL . 31125 1 35 . GLY . 31125 1 36 . THR . 31125 1 37 . ILE . 31125 1 38 . ILE . 31125 1 39 . CYS . 31125 1 40 . TYR . 31125 1 41 . CYS . 31125 1 42 . ALA . 31125 1 43 . SER . 31125 1 44 . PHE . 31125 1 45 . TRP . 31125 1 46 . LEU . 31125 1 47 . LEU . 31125 1 48 . ALA . 31125 1 49 . GLN . 31125 1 50 . THR . 31125 1 51 . ILE . 31125 1 52 . ALA . 31125 1 53 . TYR . 31125 1 54 . ILE . 31125 1 55 . PRO . 31125 1 56 . THR . 31125 1 57 . GLY . 31125 1 58 . ILE . 31125 1 59 . ALA . 31125 1 60 . TYR . 31125 1 61 . ALA . 31125 1 62 . ILE . 31125 1 63 . TRP . 31125 1 64 . SER . 31125 1 65 . GLY . 31125 1 66 . VAL . 31125 1 67 . GLY . 31125 1 68 . ILE . 31125 1 69 . VAL . 31125 1 70 . LEU . 31125 1 71 . ILE . 31125 1 72 . SER . 31125 1 73 . LEU . 31125 1 74 . LEU . 31125 1 75 . SER . 31125 1 76 . TRP . 31125 1 77 . GLY . 31125 1 78 . PHE . 31125 1 79 . PHE . 31125 1 80 . GLY . 31125 1 81 . GLN . 31125 1 82 . ARG . 31125 1 83 . LEU . 31125 1 84 . ASP . 31125 1 85 . LEU . 31125 1 86 . PRO . 31125 1 87 . ALA . 31125 1 88 . ILE . 31125 1 89 . ILE . 31125 1 90 . GLY . 31125 1 91 . MET . 31125 1 92 . MET . 31125 1 93 . LEU . 31125 1 94 . ILE . 31125 1 95 . CYS . 31125 1 96 . ALA . 31125 1 97 . GLY . 31125 1 98 . VAL . 31125 1 99 . LEU . 31125 1 100 . ILE . 31125 1 101 . ILE . 31125 1 102 . ASN . 31125 1 103 . LEU . 31125 1 104 . LEU . 31125 1 105 . SER . 31125 1 106 . ARG . 31125 1 107 . SER . 31125 1 108 . THR . 31125 1 109 . PRO . 31125 1 110 . HIS . 31125 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 31125 1 . ASN 2 2 31125 1 . PRO 3 3 31125 1 . TYR 4 4 31125 1 . ILE 5 5 31125 1 . TYR 6 6 31125 1 . LEU 7 7 31125 1 . GLY 8 8 31125 1 . GLY 9 9 31125 1 . ALA 10 10 31125 1 . ILE 11 11 31125 1 . LEU 12 12 31125 1 . ALA 13 13 31125 1 . GLU 14 14 31125 1 . VAL 15 15 31125 1 . ILE 16 16 31125 1 . GLY 17 17 31125 1 . THR 18 18 31125 1 . THR 19 19 31125 1 . LEU 20 20 31125 1 . MET 21 21 31125 1 . LYS 22 22 31125 1 . PHE 23 23 31125 1 . SER 24 24 31125 1 . GLU 25 25 31125 1 . GLY 26 26 31125 1 . PHE 27 27 31125 1 . THR 28 28 31125 1 . ARG 29 29 31125 1 . LEU 30 30 31125 1 . TRP 31 31 31125 1 . PRO 32 32 31125 1 . SER 33 33 31125 1 . VAL 34 34 31125 1 . GLY 35 35 31125 1 . THR 36 36 31125 1 . ILE 37 37 31125 1 . ILE 38 38 31125 1 . CYS 39 39 31125 1 . TYR 40 40 31125 1 . CYS 41 41 31125 1 . ALA 42 42 31125 1 . SER 43 43 31125 1 . PHE 44 44 31125 1 . TRP 45 45 31125 1 . LEU 46 46 31125 1 . LEU 47 47 31125 1 . ALA 48 48 31125 1 . GLN 49 49 31125 1 . THR 50 50 31125 1 . ILE 51 51 31125 1 . ALA 52 52 31125 1 . TYR 53 53 31125 1 . ILE 54 54 31125 1 . PRO 55 55 31125 1 . THR 56 56 31125 1 . GLY 57 57 31125 1 . ILE 58 58 31125 1 . ALA 59 59 31125 1 . TYR 60 60 31125 1 . ALA 61 61 31125 1 . ILE 62 62 31125 1 . TRP 63 63 31125 1 . SER 64 64 31125 1 . GLY 65 65 31125 1 . VAL 66 66 31125 1 . GLY 67 67 31125 1 . ILE 68 68 31125 1 . VAL 69 69 31125 1 . LEU 70 70 31125 1 . ILE 71 71 31125 1 . SER 72 72 31125 1 . LEU 73 73 31125 1 . LEU 74 74 31125 1 . SER 75 75 31125 1 . TRP 76 76 31125 1 . GLY 77 77 31125 1 . PHE 78 78 31125 1 . PHE 79 79 31125 1 . GLY 80 80 31125 1 . GLN 81 81 31125 1 . ARG 82 82 31125 1 . LEU 83 83 31125 1 . ASP 84 84 31125 1 . LEU 85 85 31125 1 . PRO 86 86 31125 1 . ALA 87 87 31125 1 . ILE 88 88 31125 1 . ILE 89 89 31125 1 . GLY 90 90 31125 1 . MET 91 91 31125 1 . MET 92 92 31125 1 . LEU 93 93 31125 1 . ILE 94 94 31125 1 . CYS 95 95 31125 1 . ALA 96 96 31125 1 . GLY 97 97 31125 1 . VAL 98 98 31125 1 . LEU 99 99 31125 1 . ILE 100 100 31125 1 . ILE 101 101 31125 1 . ASN 102 102 31125 1 . LEU 103 103 31125 1 . LEU 104 104 31125 1 . SER 105 105 31125 1 . ARG 106 106 31125 1 . SER 107 107 31125 1 . THR 108 108 31125 1 . PRO 109 109 31125 1 . HIS 110 110 31125 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 31125 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNPYIYLGGAILAEVIGTTL MKFSEGFTRLWPSVGTIICY CASFWLLAQTLAYIPTGIAY AIWSGVGIVLISLLSWGFFG QRLDLPAIIGMMLICAGVLI INLLSRSTPH ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11963.278 _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 . MET . 31125 2 2 . ASN . 31125 2 3 . PRO . 31125 2 4 . TYR . 31125 2 5 . ILE . 31125 2 6 . TYR . 31125 2 7 . LEU . 31125 2 8 . GLY . 31125 2 9 . GLY . 31125 2 10 . ALA . 31125 2 11 . ILE . 31125 2 12 . LEU . 31125 2 13 . ALA . 31125 2 14 . GLU . 31125 2 15 . VAL . 31125 2 16 . ILE . 31125 2 17 . GLY . 31125 2 18 . THR . 31125 2 19 . THR . 31125 2 20 . LEU . 31125 2 21 . MET . 31125 2 22 . LYS . 31125 2 23 . PHE . 31125 2 24 . SER . 31125 2 25 . GLU . 31125 2 26 . GLY . 31125 2 27 . PHE . 31125 2 28 . THR . 31125 2 29 . ARG . 31125 2 30 . LEU . 31125 2 31 . TRP . 31125 2 32 . PRO . 31125 2 33 . SER . 31125 2 34 . VAL . 31125 2 35 . GLY . 31125 2 36 . THR . 31125 2 37 . ILE . 31125 2 38 . ILE . 31125 2 39 . CYS . 31125 2 40 . TYR . 31125 2 41 . CYS . 31125 2 42 . ALA . 31125 2 43 . SER . 31125 2 44 . PHE . 31125 2 45 . TRP . 31125 2 46 . LEU . 31125 2 47 . LEU . 31125 2 48 . ALA . 31125 2 49 . GLN . 31125 2 50 . THR . 31125 2 51 . LEU . 31125 2 52 . ALA . 31125 2 53 . TYR . 31125 2 54 . ILE . 31125 2 55 . PRO . 31125 2 56 . THR . 31125 2 57 . GLY . 31125 2 58 . ILE . 31125 2 59 . ALA . 31125 2 60 . TYR . 31125 2 61 . ALA . 31125 2 62 . ILE . 31125 2 63 . TRP . 31125 2 64 . SER . 31125 2 65 . GLY . 31125 2 66 . VAL . 31125 2 67 . GLY . 31125 2 68 . ILE . 31125 2 69 . VAL . 31125 2 70 . LEU . 31125 2 71 . ILE . 31125 2 72 . SER . 31125 2 73 . LEU . 31125 2 74 . LEU . 31125 2 75 . SER . 31125 2 76 . TRP . 31125 2 77 . GLY . 31125 2 78 . PHE . 31125 2 79 . PHE . 31125 2 80 . GLY . 31125 2 81 . GLN . 31125 2 82 . ARG . 31125 2 83 . LEU . 31125 2 84 . ASP . 31125 2 85 . LEU . 31125 2 86 . PRO . 31125 2 87 . ALA . 31125 2 88 . ILE . 31125 2 89 . ILE . 31125 2 90 . GLY . 31125 2 91 . MET . 31125 2 92 . MET . 31125 2 93 . LEU . 31125 2 94 . ILE . 31125 2 95 . CYS . 31125 2 96 . ALA . 31125 2 97 . GLY . 31125 2 98 . VAL . 31125 2 99 . LEU . 31125 2 100 . ILE . 31125 2 101 . ILE . 31125 2 102 . ASN . 31125 2 103 . LEU . 31125 2 104 . LEU . 31125 2 105 . SER . 31125 2 106 . ARG . 31125 2 107 . SER . 31125 2 108 . THR . 31125 2 109 . PRO . 31125 2 110 . HIS . 31125 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 31125 2 . ASN 2 2 31125 2 . PRO 3 3 31125 2 . TYR 4 4 31125 2 . ILE 5 5 31125 2 . TYR 6 6 31125 2 . LEU 7 7 31125 2 . GLY 8 8 31125 2 . GLY 9 9 31125 2 . ALA 10 10 31125 2 . ILE 11 11 31125 2 . LEU 12 12 31125 2 . ALA 13 13 31125 2 . GLU 14 14 31125 2 . VAL 15 15 31125 2 . ILE 16 16 31125 2 . GLY 17 17 31125 2 . THR 18 18 31125 2 . THR 19 19 31125 2 . LEU 20 20 31125 2 . MET 21 21 31125 2 . LYS 22 22 31125 2 . PHE 23 23 31125 2 . SER 24 24 31125 2 . GLU 25 25 31125 2 . GLY 26 26 31125 2 . PHE 27 27 31125 2 . THR 28 28 31125 2 . ARG 29 29 31125 2 . LEU 30 30 31125 2 . TRP 31 31 31125 2 . PRO 32 32 31125 2 . SER 33 33 31125 2 . VAL 34 34 31125 2 . GLY 35 35 31125 2 . THR 36 36 31125 2 . ILE 37 37 31125 2 . ILE 38 38 31125 2 . CYS 39 39 31125 2 . TYR 40 40 31125 2 . CYS 41 41 31125 2 . ALA 42 42 31125 2 . SER 43 43 31125 2 . PHE 44 44 31125 2 . TRP 45 45 31125 2 . LEU 46 46 31125 2 . LEU 47 47 31125 2 . ALA 48 48 31125 2 . GLN 49 49 31125 2 . THR 50 50 31125 2 . LEU 51 51 31125 2 . ALA 52 52 31125 2 . TYR 53 53 31125 2 . ILE 54 54 31125 2 . PRO 55 55 31125 2 . THR 56 56 31125 2 . GLY 57 57 31125 2 . ILE 58 58 31125 2 . ALA 59 59 31125 2 . TYR 60 60 31125 2 . ALA 61 61 31125 2 . ILE 62 62 31125 2 . TRP 63 63 31125 2 . SER 64 64 31125 2 . GLY 65 65 31125 2 . VAL 66 66 31125 2 . GLY 67 67 31125 2 . ILE 68 68 31125 2 . VAL 69 69 31125 2 . LEU 70 70 31125 2 . ILE 71 71 31125 2 . SER 72 72 31125 2 . LEU 73 73 31125 2 . LEU 74 74 31125 2 . SER 75 75 31125 2 . TRP 76 76 31125 2 . GLY 77 77 31125 2 . PHE 78 78 31125 2 . PHE 79 79 31125 2 . GLY 80 80 31125 2 . GLN 81 81 31125 2 . ARG 82 82 31125 2 . LEU 83 83 31125 2 . ASP 84 84 31125 2 . LEU 85 85 31125 2 . PRO 86 86 31125 2 . ALA 87 87 31125 2 . ILE 88 88 31125 2 . ILE 89 89 31125 2 . GLY 90 90 31125 2 . MET 91 91 31125 2 . MET 92 92 31125 2 . LEU 93 93 31125 2 . ILE 94 94 31125 2 . CYS 95 95 31125 2 . ALA 96 96 31125 2 . GLY 97 97 31125 2 . VAL 98 98 31125 2 . LEU 99 99 31125 2 . ILE 100 100 31125 2 . ILE 101 101 31125 2 . ASN 102 102 31125 2 . LEU 103 103 31125 2 . LEU 104 104 31125 2 . SER 105 105 31125 2 . ARG 106 106 31125 2 . SER 107 107 31125 2 . THR 108 108 31125 2 . PRO 109 109 31125 2 . HIS 110 110 31125 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 31125 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . emrE . 31125 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . emrE . 31125 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 31125 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 31125 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 31125 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31125 _Sample.ID 1 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.5 mM U-15N, U-2H, U-13C EmrE, 0.8 mM [U-2H] EmrE (L51I), 35.8 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 108.3 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE '[U-15N; U-2H; U-13C]' . . 2 $entity_2 . . 0.5 . . mM . . . . 31125 1 2 'EmrE (L51I)' [U-2H] . . 1 $entity_1 . . 0.8 . . mM . . . . 31125 1 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 35.8 . . mM . . . . 31125 1 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 108.3 . . mM . . . . 31125 1 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 1 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31125 _Sample.ID 2 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-2H] EmrE, 0.5 mM U-15N, U-2H, U-13C EmrE (L51I), 35.8 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 108.3 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE [U-2H] . . 2 $entity_2 . . 0.8 . . mM . . . . 31125 2 2 'EmrE (L51I)' '[U-15N; U-2H; U-13C]' . . 1 $entity_1 . . 0.5 . . mM . . . . 31125 2 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 35.8 . . mM . . . . 31125 2 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 108.3 . . mM . . . . 31125 2 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 2 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 31125 _Sample.ID 3 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.5 mM U-15N, U-2H, 13CH3-ILV EmrE, 0.8 mM [U-2H] EmrE (L51I), 35.8 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 108.3 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE '[U-15N; U-2H; 13CH3-ILV]' . . 2 $entity_2 . . 0.5 . . mM . . . . 31125 3 2 'EmrE (L51I)' [U-2H] . . 1 $entity_1 . . 0.8 . . mM . . . . 31125 3 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 35.8 . . mM . . . . 31125 3 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 108.3 . . mM . . . . 31125 3 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 3 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 31125 _Sample.ID 4 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.5 mM U-15N, U-2H, 13CH3-ILV EmrE, 0.8 mM [U-2H] EmrE (L51I), 35.8 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 108.3 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE '[U-15N; U-2H; 13CH3-ILV]' . . 2 $entity_2 . . 0.5 . . mM . . . . 31125 4 2 'EmrE (L51I)' [U-2H] . . 1 $entity_1 . . 0.8 . . mM . . . . 31125 4 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 35.8 . . mM . . . . 31125 4 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 108.3 . . mM . . . . 31125 4 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 4 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 31125 _Sample.ID 5 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.5 mM U-15N, U-2H, 13CH3-ILV EmrE, 0.8 mM [U-2H] EmrE (L51I), 35.8 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 108.3 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE '[U-15N; U-2H; 13CH3-ILV]' . . 2 $entity_2 . . 0.5 . . mM . . . . 31125 5 2 'EmrE (L51I)' [U-2H] . . 1 $entity_1 . . 0.8 . . mM . . . . 31125 5 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 35.8 . . mM . . . . 31125 5 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 108.3 . . mM . . . . 31125 5 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 5 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 31125 _Sample.ID 6 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-2H] EmrE, 0.3 mM U-15N, U-2H, 13CH3-ILV EmrE (L51I), 21.5 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 65.1 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE [U-2H] . . 2 $entity_2 . . 0.5 . . mM . . . . 31125 6 2 'EmrE (L51I)' '[U-15N; U-2H; 13CH3-ILV]' . . 1 $entity_1 . . 0.3 . . mM . . . . 31125 6 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 21.5 . . mM . . . . 31125 6 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 65.1 . . mM . . . . 31125 6 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 6 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 6 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 31125 _Sample.ID 7 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-2H] EmrE, 0.5 mM U-15N, U-2H, 13CH3-ILV EmrE (L51I), 35.8 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 108.3 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE [U-2H] . . 2 $entity_2 . . 0.8 . . mM . . . . 31125 7 2 'EmrE (L51I)' '[U-15N; U-2H; 13CH3-ILV]' . . 1 $entity_1 . . 0.5 . . mM . . . . 31125 7 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 35.8 . . mM . . . . 31125 7 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 108.3 . . mM . . . . 31125 7 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 7 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 7 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 31125 _Sample.ID 8 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.6 mM [U-2H] EmrE, 0.4 mM U-15N, U-2H, 13CH3-ILV EmrE (L51I), 28.6 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 86.8 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE [U-2H] . . 2 $entity_2 . . 0.6 . . mM . . . . 31125 8 2 'EmrE (L51I)' '[U-15N; U-2H; 13CH3-ILV]' . . 1 $entity_1 . . 0.4 . . mM . . . . 31125 8 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 28.6 . . mM . . . . 31125 8 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 86.8 . . mM . . . . 31125 8 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 8 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 8 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 31125 _Sample.ID 9 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.5 mM U-15N, U-2H, 13CH3-ILV EmrE, 0.8 mM [U-2H] EmrE (L51I), 35.8 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 108.3 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE '[U-15N; U-2H; 13CH3-ILV]' . . 2 $entity_2 . . 0.5 . . mM . . . . 31125 9 2 'EmrE (L51I)' [U-2H] . . 1 $entity_1 . . 0.8 . . mM . . . . 31125 9 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 35.8 . . mM . . . . 31125 9 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 108.3 . . mM . . . . 31125 9 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 9 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 9 stop_ save_ save_sample_11 _Sample.Sf_category sample _Sample.Sf_framecode sample_11 _Sample.Entry_ID 31125 _Sample.ID 10 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.6 mM [U-2H] EmrE, 0.4 mM U-15N, U-2H, 13CH3-ILV EmrE (L51I), 28.6 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 86.8 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE [U-2H] . . 2 $entity_2 . . 0.6 . . mM . . . . 31125 10 2 'EmrE (L51I)' '[U-15N; U-2H; 13CH3-ILV]' . . 1 $entity_1 . . 0.4 . . mM . . . . 31125 10 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 28.6 . . mM . . . . 31125 10 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 86.8 . . mM . . . . 31125 10 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 10 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 10 stop_ save_ save_sample_12 _Sample.Sf_category sample _Sample.Sf_framecode sample_12 _Sample.Entry_ID 31125 _Sample.ID 11 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.6 mM [U-2H] EmrE, 0.4 mM U-15N, U-2H, 13CH3-ILV EmrE (L51I), 28.6 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 86.8 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE [U-2H] . . 2 $entity_2 . . 0.6 . . mM . . . . 31125 11 2 'EmrE (L51I)' '[U-15N; U-2H; 13CH3-ILV]' . . 1 $entity_1 . . 0.4 . . mM . . . . 31125 11 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 28.6 . . mM . . . . 31125 11 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 86.8 . . mM . . . . 31125 11 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 11 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 11 stop_ save_ save_sample_13 _Sample.Sf_category sample _Sample.Sf_framecode sample_13 _Sample.Entry_ID 31125 _Sample.ID 12 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.6 mM [U-2H] EmrE, 0.4 mM U-15N, U-2H, 13CH3-ILV EmrE (L51I), 28.6 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 86.8 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE [U-2H] . . 2 $entity_2 . . 0.6 . . mM . . . . 31125 12 2 'EmrE (L51I)' '[U-15N; U-2H; 13CH3-ILV]' . . 1 $entity_1 . . 0.4 . . mM . . . . 31125 12 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 28.6 . . mM . . . . 31125 12 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 86.8 . . mM . . . . 31125 12 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 12 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 12 stop_ save_ save_sample_14 _Sample.Sf_category sample _Sample.Sf_framecode sample_14 _Sample.Entry_ID 31125 _Sample.ID 13 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.6 mM [U-2H] EmrE, 0.4 mM U-15N, U-2H, 13CH3-ILV EmrE (L51I), 28.6 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 86.8 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE [U-2H] . . 2 $entity_2 . . 0.6 . . mM . . . . 31125 13 2 'EmrE (L51I)' '[U-15N; U-2H; 13CH3-ILV]' . . 1 $entity_1 . . 0.4 . . mM . . . . 31125 13 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 28.6 . . mM . . . . 31125 13 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 86.8 . . mM . . . . 31125 13 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 13 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 13 stop_ save_ save_sample_15 _Sample.Sf_category sample _Sample.Sf_framecode sample_15 _Sample.Entry_ID 31125 _Sample.ID 14 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.4 mM U-15N, U-2H, 13CH3-ILV EmrE, 0.6 mM [U-2H] EmrE (L51I), 28.6 mM 2H-54 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine, 86.8 mM 2H-22 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 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 EmrE '[U-15N; U-2H; 13CH3-ILV]' . . 2 $entity_2 . . 0.4 . . mM . . . . 31125 14 2 'EmrE (L51I)' [U-2H] . . 1 $entity_1 . . 0.6 . . mM . . . . 31125 14 3 1,2-dimyristoyl-d54-sn-glycero-3-phosphocholine 2H-54 . . . . . . 28.6 . . mM . . . . 31125 14 4 1,2-dihexanoyl-d22-sn-glycero-3-phosphocholine 2H-22 . . . . . . 86.8 . . mM . . . . 31125 14 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 14 6 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 14 stop_ save_ save_sample_16 _Sample.Sf_category sample _Sample.Sf_framecode sample_16 _Sample.Entry_ID 31125 _Sample.ID 15 _Sample.Name . _Sample.Type membrane _Sample.Sub_type . _Sample.Details ; 6.7 mM U-15N, U-13C EmrE, 10.7 mM EmrE (L51I), 513.3 mM 1,2-dimyristoyl-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 100% H2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 EmrE '[U-15N; U-13C]' . . 2 $entity_2 . . 6.7 . . mM . . . . 31125 15 2 'EmrE (L51I)' 'natural abundance' . . 1 $entity_1 . . 10.7 . . mM . . . . 31125 15 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 15 4 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 15 5 1,2-dimyristoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 513.3 . . mM . . . . 31125 15 stop_ save_ save_sample_17 _Sample.Sf_category sample _Sample.Sf_framecode sample_17 _Sample.Entry_ID 31125 _Sample.ID 16 _Sample.Name . _Sample.Type membrane _Sample.Sub_type . _Sample.Details ; 14.2 mM EmrE, 8.9 mM U-15N, U-13C EmrE (L51I), 511.1 mM 1,2-dimyristoyl-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 100% H2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 EmrE 'natural abundance' . . 2 $entity_2 . . 14.2 . . mM . . . . 31125 16 2 'EmrE (L51I)' '[U-15N; U-13C]' . . 1 $entity_1 . . 8.9 . . mM . . . . 31125 16 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 16 4 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 16 5 1,2-dimyristoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 511.1 . . mM . . . . 31125 16 stop_ save_ save_sample_18 _Sample.Sf_category sample _Sample.Sf_framecode sample_18 _Sample.Entry_ID 31125 _Sample.ID 17 _Sample.Name . _Sample.Type membrane _Sample.Sub_type . _Sample.Details ; 6.7 mM U-15N, 1,3-13C glycerol EmrE, 10.7 mM EmrE (L51I), 513.3 mM 1,2-dimyristoyl-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 100% H2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 EmrE '[U-15N; 1,3-13C glycerol]' . . 2 $entity_2 . . 6.7 . . mM . . . . 31125 17 2 'EmrE (L51I)' 'natural abundance' . . 1 $entity_1 . . 10.7 . . mM . . . . 31125 17 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 17 4 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 17 5 1,2-dimyristoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 513.3 . . mM . . . . 31125 17 stop_ save_ save_sample_19 _Sample.Sf_category sample _Sample.Sf_framecode sample_19 _Sample.Entry_ID 31125 _Sample.ID 18 _Sample.Name . _Sample.Type membrane _Sample.Sub_type . _Sample.Details ; 12.5 mM EmrE, 7.8 mM U-15N, 1,3-13C glycerol EmrE (L51I), 512.2 mM 1,2-dimyristoyl-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 100% H2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 EmrE 'natural abundance' . . 2 $entity_2 . . 12.5 . . mM . . . . 31125 18 2 'EmrE (L51I)' '[U-15N; 1,3-13C glycerol]' . . 1 $entity_1 . . 7.8 . . mM . . . . 31125 18 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 18 4 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 18 5 1,2-dimyristoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 512.2 . . mM . . . . 31125 18 stop_ save_ save_sample_20 _Sample.Sf_category sample _Sample.Sf_framecode sample_20 _Sample.Entry_ID 31125 _Sample.ID 19 _Sample.Name . _Sample.Type membrane _Sample.Sub_type . _Sample.Details ; 6.7 mM U-15N, 2-13C glycerol EmrE, 10.7 mM EmrE (L51I), 513.3 mM 1,2-dimyristoyl-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 100% H2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 EmrE '[U-15N; 2-13C glycerol]' . . 2 $entity_2 . . 6.7 . . mM . . . . 31125 19 2 'EmrE (L51I)' 'natural abundance' . . 1 $entity_1 . . 10.7 . . mM . . . . 31125 19 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 19 4 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 19 5 1,2-dimyristoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 513.3 . . mM . . . . 31125 19 stop_ save_ save_sample_21 _Sample.Sf_category sample _Sample.Sf_framecode sample_21 _Sample.Entry_ID 31125 _Sample.ID 20 _Sample.Name . _Sample.Type membrane _Sample.Sub_type . _Sample.Details ; 12.5 mM EmrE, 7.8 mM U-15N, 2-13C glycerol EmrE (L51I), 512.2 mM 1,2-dimyristoyl-sn-glycero-3-phosphocholine, 20 mM sodium chloride, 150 mM Na2HPO4, 100% H2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 EmrE 'natural abundance' . . 2 $entity_2 . . 12.5 . . mM . . . . 31125 20 2 'EmrE (L51I)' '[U-15N; 2-13C glycerol]' . . 1 $entity_1 . . 7.8 . . mM . . . . 31125 20 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 20 4 Na2HPO4 'natural abundance' . . . . . . 150 . . mM . . . . 31125 20 5 1,2-dimyristoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 512.2 . . mM . . . . 31125 20 stop_ save_ save_sample_22 _Sample.Sf_category sample _Sample.Sf_framecode sample_22 _Sample.Entry_ID 31125 _Sample.ID 21 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 2 mM [U-15N]-amino acid EmrE, 321 mM 1,2-di-O-tetradecyl-sn-glycero-3-phosphocholine, 91.6 mM 1,2-dihexanoyl-sn-glycero-3-phosphocholine, 8 mM YbCl3, 20 mM sodium chloride, 80 mM HEPES, 100% H2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 EmrE '[U-15N]-amino acid' . . 2 $entity_2 . . 2 . . mM . . . . 31125 21 2 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 31125 21 3 1,2-di-O-tetradecyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 321 . . mM . . . . 31125 21 4 1,2-dihexanoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 91.6 . . mM . . . . 31125 21 5 YbCl3 'natural abundance' . . . . . . 8 . . mM . . . . 31125 21 6 HEPES 'natural abundance' . . . . . . 80 . . mM . . . . 31125 21 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 31125 _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' 20 . mM 31125 1 pH 5.6 . pH 31125 1 pressure 1 . atm 31125 1 temperature 310 . K 31125 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 31125 _Sample_condition_list.ID 2 _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' 20 . mM 31125 2 pH 5 . pH 31125 2 pressure 1 . atm 31125 2 temperature 273 . K 31125 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 31125 _Sample_condition_list.ID 3 _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' 20 . mM 31125 3 pH 6 . pH 31125 3 pressure 1 . atm 31125 3 temperature 310 . K 31125 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31125 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31125 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31125 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31125 _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' . . 31125 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31125 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31125 _Software.ID 3 _Software.Type . _Software.Name GROMACS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lindahl, Abraham, Hess, van der Spoel' . . 31125 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31125 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31125 _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 . . 31125 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 31125 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 31125 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Solution NMR (NYU)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31125 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Solution NMR (NYU)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 31125 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Solid-state NMR' _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model 'Direct Drive' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 31125 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Solution NMR (NYSBC)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31125 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 31125 1 2 NMR_spectrometer_2 Bruker 'AVANCE NEO' . 800 . . . 31125 1 3 NMR_spectrometer_3 Agilent 'Direct Drive' . 600 . . . 31125 1 4 NMR_spectrometer_4 Bruker 'AVANCE III' . 700 . . . 31125 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 31125 _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 HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 31125 1 2 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 3 '2D 1H/15N PISEMA' no . . . . . . . . . . . . 21 $sample_22 anisotropic . . 3 $sample_conditions_3 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 4 '2D 15N/13C NCA' no . . . . . . . . . . . . 15 $sample_16 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 31125 1 6 '3D NCACX' no . . . . . . . . . . . . 15 $sample_16 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 7 '3D NCOCX' no . . . . . . . . . . . . 15 $sample_16 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 8 '3D CANCOCX' no . . . . . . . . . . . . 15 $sample_16 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 9 '3D CANCO' no . . . . . . . . . . . . 15 $sample_16 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 10 '2D 15N/13C NCO' no . . . . . . . . . . . . 15 $sample_16 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 12 '2D 1H-15N TROSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 13 '2D 1H-15N TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 14 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 31125 1 15 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 31125 1 16 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 31125 1 17 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 31125 1 18 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 31125 1 19 '2D 1H-15N TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 31125 1 20 '2D 13C/13C PDSD' no . . . . . . . . . . . . 17 $sample_18 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 21 '2D 13C/13C PDSD' no . . . . . . . . . . . . 18 $sample_19 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 22 '2D 13C/13C PDSD' no . . . . . . . . . . . . 19 $sample_20 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 23 '2D 13C/13C PDSD' no . . . . . . . . . . . . 20 $sample_21 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 24 '2D 15N/13C NCA' no . . . . . . . . . . . . 16 $sample_17 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 25 '2D 15N/13C NCO' no . . . . . . . . . . . . 16 $sample_17 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 26 '3D NCACX' no . . . . . . . . . . . . 16 $sample_17 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 27 '3D NCOCX' no . . . . . . . . . . . . 16 $sample_17 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 28 '3D CANCOCX' no . . . . . . . . . . . . 16 $sample_17 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 29 '3D CANCO' no . . . . . . . . . . . . 16 $sample_17 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 30 '2D 13C/13C DARR' no . . . . . . . . . . . . 15 $sample_16 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 31 '3D CANCO' no . . . . . . . . . . . . 16 $sample_17 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31125 1 32 '2D 1H-13C HSQC' no . . . . . . . . . . . . 9 $sample_10 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 33 '2D 1H-15N TROSY' no . . . . . . . . . . . . 9 $sample_10 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 34 '2D 1H-15N TROSY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31125 1 35 '2D 1H-13C HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 36 '2D 1H-15N TROSY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 37 '2D 1H-13C HSQC' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 38 '2D 1H-15N TROSY' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 39 '2D 1H-15N TROSY' no . . . . . . . . . . . . 8 $sample_9 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 40 '2D 1H-13C HSQC' no . . . . . . . . . . . . 8 $sample_9 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 41 '2D 1H-15N TROSY' no . . . . . . . . . . . . 7 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31125 1 42 '2D 1H-13C HSQC' no . . . . . . . . . . . . 10 $sample_11 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 43 '2D 1H-13C HSQC' no . . . . . . . . . . . . 13 $sample_14 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 44 '2D 1H-15N TROSY' no . . . . . . . . . . . . 12 $sample_13 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31125 1 45 '2D 1H-13C HSQC' no . . . . . . . . . . . . 12 $sample_13 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31125 1 46 '2D 1H-15N TROSY' no . . . . . . . . . . . . 11 $sample_12 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 47 '2D 1H-13C HSQC' no . . . . . . . . . . . . 11 $sample_12 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 48 '2D 1H-15N TROSY' no . . . . . . . . . . . . 10 $sample_11 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 49 '2D 1H-13C HSQC' no . . . . . . . . . . . . 14 $sample_15 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31125 1 50 '2D 1H-15N TROSY' no . . . . . . . . . . . . 13 $sample_14 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31125 1 51 '2D 1H-15N TROSY' no . . . . . . . . . . . . 14 $sample_15 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31125 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 31125 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'Solution NMR' 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 external indirect 0.251449530 . . . . . 31125 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 31125 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.101329118 . . . . . 31125 1 stop_ save_ save_chem_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_2 _Chem_shift_reference.Entry_ID 31125 _Chem_shift_reference.ID 2 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'Magic-angle-spinning in lipid bilayers' 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 1 . . . . . 31125 2 N 15 adamantane 'methyl carbons' . . . . ppm 40.48 external indirect 0.40297995400 . . . . . 31125 2 stop_ save_ save_chem_shift_reference_3 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_3 _Chem_shift_reference.Entry_ID 31125 _Chem_shift_reference.ID 3 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'Oriented sample' 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 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 41.5 external direct 1 . . . . . 31125 3 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 31125 _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 HNCA' . . . 31125 1 2 '2D 1H-15N TROSY' . . . 31125 1 3 '2D 1H/15N PISEMA' . . . 31125 1 4 '2D 15N/13C NCA' . . . 31125 1 5 '3D HNCO' . . . 31125 1 6 '3D NCACX' . . . 31125 1 7 '3D NCOCX' . . . 31125 1 8 '3D CANCOCX' . . . 31125 1 9 '3D CANCO' . . . 31125 1 10 '2D 15N/13C NCO' . . . 31125 1 11 '2D 1H-13C HSQC' . . . 31125 1 12 '2D 1H-15N TROSY' . . . 31125 1 13 '2D 1H-15N TROSY' . . . 31125 1 14 '3D HNCA' . . . 31125 1 15 '3D HNCO' . . . 31125 1 16 '3D HN(CO)CA' . . . 31125 1 17 '3D HN(CO)CA' . . . 31125 1 18 '2D 1H-15N TROSY' . . . 31125 1 19 '2D 1H-15N TROSY' . . . 31125 1 20 '2D 13C/13C PDSD' . . . 31125 1 21 '2D 13C/13C PDSD' . . . 31125 1 22 '2D 13C/13C PDSD' . . . 31125 1 23 '2D 13C/13C PDSD' . . . 31125 1 24 '2D 15N/13C NCA' . . . 31125 1 25 '2D 15N/13C NCO' . . . 31125 1 26 '3D NCACX' . . . 31125 1 27 '3D NCOCX' . . . 31125 1 28 '3D CANCOCX' . . . 31125 1 29 '3D CANCO' . . . 31125 1 30 '2D 13C/13C DARR' . . . 31125 1 31 '3D CANCO' . . . 31125 1 32 '2D 1H-13C HSQC' . . . 31125 1 33 '2D 1H-15N TROSY' . . . 31125 1 34 '2D 1H-15N TROSY' . . . 31125 1 35 '2D 1H-13C HSQC' . . . 31125 1 36 '2D 1H-15N TROSY' . . . 31125 1 37 '2D 1H-13C HSQC' . . . 31125 1 38 '2D 1H-15N TROSY' . . . 31125 1 39 '2D 1H-15N TROSY' . . . 31125 1 40 '2D 1H-13C HSQC' . . . 31125 1 41 '2D 1H-15N TROSY' . . . 31125 1 42 '2D 1H-13C HSQC' . . . 31125 1 43 '2D 1H-13C HSQC' . . . 31125 1 44 '2D 1H-15N TROSY' . . . 31125 1 45 '2D 1H-13C HSQC' . . . 31125 1 46 '2D 1H-15N TROSY' . . . 31125 1 47 '2D 1H-13C HSQC' . . . 31125 1 48 '2D 1H-15N TROSY' . . . 31125 1 49 '2D 1H-13C HSQC' . . . 31125 1 50 '2D 1H-15N TROSY' . . . 31125 1 51 '2D 1H-15N TROSY' . . . 31125 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 1 1 MET H H 1 8.106 . . . . . . . A 1 MET H1 1 31125 1 2 . 1 . 1 1 1 MET C C 13 175.691 . . . . . . . A 1 MET C 1 31125 1 3 . 1 . 1 1 1 MET CA C 13 54.785 . . . . . . . A 1 MET CA 1 31125 1 4 . 1 . 1 1 1 MET N N 15 120.066 . . . . . . . A 1 MET N 1 31125 1 5 . 1 . 1 2 2 ASN H H 1 8.13 . . . . . . . A 2 ASN H 1 31125 1 6 . 1 . 1 2 2 ASN CA C 13 52.424 . . . . . . . A 2 ASN CA 1 31125 1 7 . 1 . 1 2 2 ASN N N 15 121.804 . . . . . . . A 2 ASN N 1 31125 1 8 . 1 . 1 3 3 PRO C C 13 176.717 . . . . . . . A 3 PRO C 1 31125 1 9 . 1 . 1 3 3 PRO CA C 13 63.067 . . . . . . . A 3 PRO CA 1 31125 1 10 . 1 . 1 4 4 TYR H H 1 8.319 . . . . . . . A 4 TYR H 1 31125 1 11 . 1 . 1 4 4 TYR C C 13 178.578 . . . . . . . A 4 TYR C 1 31125 1 12 . 1 . 1 4 4 TYR CA C 13 60.612 . . . . . . . A 4 TYR CA 1 31125 1 13 . 1 . 1 4 4 TYR N N 15 117.191 . . . . . . . A 4 TYR N 1 31125 1 14 . 1 . 1 5 5 ILE H H 1 7.737 . . . . . . . A 5 ILE H 1 31125 1 15 . 1 . 1 5 5 ILE CA C 13 64.368 . . . . . . . A 5 ILE CA 1 31125 1 16 . 1 . 1 5 5 ILE N N 15 121.173 . . . . . . . A 5 ILE N 1 31125 1 17 . 1 . 1 6 6 TYR H H 1 7.225 . . . . . . . A 6 TYR H 1 31125 1 18 . 1 . 1 6 6 TYR C C 13 178.284 . . . . . . . A 6 TYR C 1 31125 1 19 . 1 . 1 6 6 TYR CA C 13 60.985 . . . . . . . A 6 TYR CA 1 31125 1 20 . 1 . 1 6 6 TYR CB C 13 37.564 . . . . . . . A 6 TYR CB 2 31125 1 21 . 1 . 1 6 6 TYR N N 15 119.664 . . . . . . . A 6 TYR N 1 31125 1 22 . 1 . 1 7 7 LEU H H 1 7.909 . . . . . . . A 7 LEU H 1 31125 1 23 . 1 . 1 7 7 LEU C C 13 179.18 . . . . . . . A 7 LEU C 1 31125 1 24 . 1 . 1 7 7 LEU CA C 13 57.446 . . . . . . . A 7 LEU CA 1 31125 1 25 . 1 . 1 7 7 LEU CB C 13 41.085 . . . . . . . A 7 LEU CB 2 31125 1 26 . 1 . 1 7 7 LEU N N 15 120.952 . . . . . . . A 7 LEU N 1 31125 1 27 . 1 . 1 8 8 GLY H H 1 8.696 . . . . . . . A 8 GLY H 1 31125 1 28 . 1 . 1 8 8 GLY C C 13 176.104 . . . . . . . A 8 GLY C 1 31125 1 29 . 1 . 1 8 8 GLY CA C 13 47.346 . . . . . . . A 8 GLY CA 1 31125 1 30 . 1 . 1 8 8 GLY N N 15 107.422 . . . . . . . A 8 GLY N 1 31125 1 31 . 1 . 1 9 9 GLY H H 1 8.814 . . . . . . . A 9 GLY H 1 31125 1 32 . 1 . 1 9 9 GLY C C 13 174.762 . . . . . . . A 9 GLY C 1 31125 1 33 . 1 . 1 9 9 GLY CA C 13 47.437 . . . . . . . A 9 GLY CA 1 31125 1 34 . 1 . 1 9 9 GLY N N 15 110.262 . . . . . . . A 9 GLY N 1 31125 1 35 . 1 . 1 10 10 ALA H H 1 8.992 . . . . . . . A 10 ALA H 1 31125 1 36 . 1 . 1 10 10 ALA C C 13 172.343 . . . . . . . A 10 ALA C 1 31125 1 37 . 1 . 1 10 10 ALA CA C 13 55.457 . . . . . . . A 10 ALA CA 1 31125 1 38 . 1 . 1 10 10 ALA CB C 13 18.856 . . . . . . . A 10 ALA CB 2 31125 1 39 . 1 . 1 10 10 ALA N N 15 125.707 . . . . . . . A 10 ALA N 1 31125 1 40 . 1 . 1 11 11 ILE H H 1 8.682 . . . . . . . A 11 ILE H 1 31125 1 41 . 1 . 1 11 11 ILE C C 13 177.508 . . . . . . . A 11 ILE C 1 31125 1 42 . 1 . 1 11 11 ILE CA C 13 64.689 . . . . . . . A 11 ILE CA 1 31125 1 43 . 1 . 1 11 11 ILE CB C 13 38.409 . . . . . . . A 11 ILE CB 2 31125 1 44 . 1 . 1 11 11 ILE N N 15 122.999 . . . . . . . A 11 ILE N 1 31125 1 45 . 1 . 1 12 12 LEU H H 1 8.412 . . . . . . . A 12 LEU H 1 31125 1 46 . 1 . 1 12 12 LEU C C 13 178.508 . . . . . . . A 12 LEU C 1 31125 1 47 . 1 . 1 12 12 LEU CA C 13 58.425 . . . . . . . A 12 LEU CA 1 31125 1 48 . 1 . 1 12 12 LEU CB C 13 41.665 . . . . . . . A 12 LEU CB 2 31125 1 49 . 1 . 1 12 12 LEU N N 15 121.906 . . . . . . . A 12 LEU N 1 31125 1 50 . 1 . 1 13 13 ALA H H 1 8.537 . . . . . . . A 13 ALA H 1 31125 1 51 . 1 . 1 13 13 ALA C C 13 179.071 . . . . . . . A 13 ALA C 2 31125 1 52 . 1 . 1 13 13 ALA CA C 13 55.573 . . . . . . . A 13 ALA CA 1 31125 1 53 . 1 . 1 13 13 ALA CB C 13 17.497 . . . . . . . A 13 ALA CB 2 31125 1 54 . 1 . 1 13 13 ALA N N 15 120.145 . . . . . . . A 13 ALA N 1 31125 1 55 . 1 . 1 14 14 GLU C C 13 179.033 . . . . . . . A 14 GLU C 2 31125 1 56 . 1 . 1 14 14 GLU CA C 13 58.865 . . . . . . . A 14 GLU CA 2 31125 1 57 . 1 . 1 14 14 GLU CB C 13 27.772 . . . . . . . A 14 GLU CB 2 31125 1 58 . 1 . 1 14 14 GLU N N 15 119.47 . . . . . . . A 14 GLU N 2 31125 1 59 . 1 . 1 15 15 VAL C C 13 178.844 . . . . . . . A 15 VAL C 1 31125 1 60 . 1 . 1 15 15 VAL CA C 13 64.981 . . . . . . . A 15 VAL CA 2 31125 1 61 . 1 . 1 15 15 VAL CB C 13 32.448 . . . . . . . A 15 VAL CB 2 31125 1 62 . 1 . 1 16 16 ILE H H 1 8.617 . . . . . . . A 16 ILE H 1 31125 1 63 . 1 . 1 16 16 ILE C C 13 178.116 . . . . . . . A 16 ILE C 1 31125 1 64 . 1 . 1 16 16 ILE CA C 13 64.772 . . . . . . . A 16 ILE CA 1 31125 1 65 . 1 . 1 16 16 ILE CB C 13 37.657 . . . . . . . A 16 ILE CB 2 31125 1 66 . 1 . 1 16 16 ILE N N 15 122.806 . . . . . . . A 16 ILE N 1 31125 1 67 . 1 . 1 17 17 GLY H H 1 8.553 . . . . . . . A 17 GLY H 1 31125 1 68 . 1 . 1 17 17 GLY C C 13 174.174 . . . . . . . A 17 GLY C 2 31125 1 69 . 1 . 1 17 17 GLY CA C 13 47.428 . . . . . . . A 17 GLY CA 1 31125 1 70 . 1 . 1 17 17 GLY N N 15 108.62 . . . . . . . A 17 GLY N 1 31125 1 71 . 1 . 1 18 18 THR C C 13 174.963 . . . . . . . A 18 THR C 2 31125 1 72 . 1 . 1 18 18 THR CA C 13 66.096 . . . . . . . A 18 THR CA 2 31125 1 73 . 1 . 1 18 18 THR CB C 13 68.662 . . . . . . . A 18 THR CB 2 31125 1 74 . 1 . 1 18 18 THR N N 15 115.436 . . . . . . . A 18 THR N 2 31125 1 75 . 1 . 1 19 19 THR C C 13 177.388 . . . . . . . A 19 THR C 2 31125 1 76 . 1 . 1 19 19 THR CA C 13 67.146 . . . . . . . A 19 THR CA 2 31125 1 77 . 1 . 1 19 19 THR CB C 13 68.449 . . . . . . . A 19 THR CB 2 31125 1 78 . 1 . 1 19 19 THR N N 15 117.453 . . . . . . . A 19 THR N 2 31125 1 79 . 1 . 1 20 20 LEU C C 13 178.673 . . . . . . . A 20 LEU C 1 31125 1 80 . 1 . 1 20 20 LEU CA C 13 57.79 . . . . . . . A 20 LEU CA 1 31125 1 81 . 1 . 1 20 20 LEU CB C 13 41.631 . . . . . . . A 20 LEU CB 2 31125 1 82 . 1 . 1 20 20 LEU N N 15 121.27 . . . . . . . A 20 LEU N 2 31125 1 83 . 1 . 1 21 21 MET H H 1 8.152 . . . . . . . A 21 MET H 1 31125 1 84 . 1 . 1 21 21 MET C C 13 181.681 . . . . . . . A 21 MET C 1 31125 1 85 . 1 . 1 21 21 MET CA C 13 59.371 . . . . . . . A 21 MET CA 1 31125 1 86 . 1 . 1 21 21 MET CB C 13 32.182 . . . . . . . A 21 MET CB 2 31125 1 87 . 1 . 1 21 21 MET N N 15 122.113 . . . . . . . A 21 MET N 1 31125 1 88 . 1 . 1 22 22 LYS H H 1 7.634 . . . . . . . A 22 LYS H 1 31125 1 89 . 1 . 1 22 22 LYS C C 13 178.403 . . . . . . . A 22 LYS C 1 31125 1 90 . 1 . 1 22 22 LYS CA C 13 59.504 . . . . . . . A 22 LYS CA 1 31125 1 91 . 1 . 1 22 22 LYS CB C 13 30.331 . . . . . . . A 22 LYS CB 2 31125 1 92 . 1 . 1 22 22 LYS N N 15 125.348 . . . . . . . A 22 LYS N 1 31125 1 93 . 1 . 1 23 23 PHE H H 1 7.476 . . . . . . . A 23 PHE H 1 31125 1 94 . 1 . 1 23 23 PHE CA C 13 60.043 . . . . . . . A 23 PHE CA 1 31125 1 95 . 1 . 1 23 23 PHE N N 15 119.455 . . . . . . . A 23 PHE N 1 31125 1 96 . 1 . 1 24 24 SER H H 1 8.002 . . . . . . . A 24 SER H 1 31125 1 97 . 1 . 1 24 24 SER C C 13 173.819 . . . . . . . A 24 SER C 1 31125 1 98 . 1 . 1 24 24 SER CA C 13 60.696 . . . . . . . A 24 SER CA 1 31125 1 99 . 1 . 1 24 24 SER CB C 13 64.11 . . . . . . . A 24 SER CB 2 31125 1 100 . 1 . 1 24 24 SER N N 15 114.59 . . . . . . . A 24 SER N 1 31125 1 101 . 1 . 1 25 25 GLU H H 1 7.724 . . . . . . . A 25 GLU H 1 31125 1 102 . 1 . 1 25 25 GLU C C 13 177.943 . . . . . . . A 25 GLU C 1 31125 1 103 . 1 . 1 25 25 GLU CA C 13 55.846 . . . . . . . A 25 GLU CA 1 31125 1 104 . 1 . 1 25 25 GLU CB C 13 26.35 . . . . . . . A 25 GLU CB 2 31125 1 105 . 1 . 1 25 25 GLU N N 15 121.791 . . . . . . . A 25 GLU N 1 31125 1 106 . 1 . 1 26 26 GLY H H 1 9.49 . . . . . . . A 26 GLY H 1 31125 1 107 . 1 . 1 26 26 GLY C C 13 175.118 . . . . . . . A 26 GLY C 1 31125 1 108 . 1 . 1 26 26 GLY CA C 13 46.207 . . . . . . . A 26 GLY CA 2 31125 1 109 . 1 . 1 26 26 GLY N N 15 112.904 . . . . . . . A 26 GLY N 1 31125 1 110 . 1 . 1 27 27 PHE H H 1 7.937 . . . . . . . A 27 PHE H 1 31125 1 111 . 1 . 1 27 27 PHE C C 13 174.063 . . . . . . . A 27 PHE C 1 31125 1 112 . 1 . 1 27 27 PHE CA C 13 59.946 . . . . . . . A 27 PHE CA 1 31125 1 113 . 1 . 1 27 27 PHE CB C 13 35.308 . . . . . . . A 27 PHE CB 2 31125 1 114 . 1 . 1 27 27 PHE N N 15 113.878 . . . . . . . A 27 PHE N 1 31125 1 115 . 1 . 1 28 28 THR H H 1 7.617 . . . . . . . A 28 THR H 1 31125 1 116 . 1 . 1 28 28 THR C C 13 175.423 . . . . . . . A 28 THR C 1 31125 1 117 . 1 . 1 28 28 THR CA C 13 62.222 . . . . . . . A 28 THR CA 1 31125 1 118 . 1 . 1 28 28 THR CB C 13 70.811 . . . . . . . A 28 THR CB 2 31125 1 119 . 1 . 1 28 28 THR N N 15 103.611 . . . . . . . A 28 THR N 1 31125 1 120 . 1 . 1 29 29 ARG H H 1 7.457 . . . . . . . A 29 ARG H 1 31125 1 121 . 1 . 1 29 29 ARG C C 13 178.232 . . . . . . . A 29 ARG C 1 31125 1 122 . 1 . 1 29 29 ARG CA C 13 54.174 . . . . . . . A 29 ARG CA 1 31125 1 123 . 1 . 1 29 29 ARG CB C 13 32.098 . . . . . . . A 29 ARG CB 2 31125 1 124 . 1 . 1 29 29 ARG N N 15 120.816 . . . . . . . A 29 ARG N 1 31125 1 125 . 1 . 1 30 30 LEU H H 1 9.117 . . . . . . . A 30 LEU H 1 31125 1 126 . 1 . 1 30 30 LEU C C 13 177.546 . . . . . . . A 30 LEU C 1 31125 1 127 . 1 . 1 30 30 LEU CA C 13 60.03 . . . . . . . A 30 LEU CA 1 31125 1 128 . 1 . 1 30 30 LEU CB C 13 41.821 . . . . . . . A 30 LEU CB 2 31125 1 129 . 1 . 1 30 30 LEU N N 15 131.7 . . . . . . . A 30 LEU N 1 31125 1 130 . 1 . 1 31 31 TRP H H 1 9.346 . . . . . . . A 31 TRP H 1 31125 1 131 . 1 . 1 31 31 TRP C C 13 177.91 . . . . . . . A 31 TRP C 2 31125 1 132 . 1 . 1 31 31 TRP CA C 13 61.787 . . . . . . . A 31 TRP CA 1 31125 1 133 . 1 . 1 31 31 TRP N N 15 119.871 . . . . . . . A 31 TRP N 1 31125 1 134 . 1 . 1 32 32 PRO C C 13 179.84 . . . . . . . A 32 PRO C 1 31125 1 135 . 1 . 1 32 32 PRO CA C 13 65.417 . . . . . . . A 32 PRO CA 1 31125 1 136 . 1 . 1 32 32 PRO CB C 13 31.784 . . . . . . . A 32 PRO CB 2 31125 1 137 . 1 . 1 32 32 PRO N N 15 132.852 . . . . . . . A 32 PRO N 2 31125 1 138 . 1 . 1 33 33 SER H H 1 7.508 . . . . . . . A 33 SER H 1 31125 1 139 . 1 . 1 33 33 SER C C 13 175.187 . . . . . . . A 33 SER C 1 31125 1 140 . 1 . 1 33 33 SER CA C 13 64.18 . . . . . . . A 33 SER CA 1 31125 1 141 . 1 . 1 33 33 SER CB C 13 62.659 . . . . . . . A 33 SER CB 2 31125 1 142 . 1 . 1 33 33 SER N N 15 116.968 . . . . . . . A 33 SER N 1 31125 1 143 . 1 . 1 34 34 VAL H H 1 8.449 . . . . . . . A 34 VAL H 1 31125 1 144 . 1 . 1 34 34 VAL C C 13 178.545 . . . . . . . A 34 VAL C 1 31125 1 145 . 1 . 1 34 34 VAL CA C 13 66.805 . . . . . . . A 34 VAL CA 1 31125 1 146 . 1 . 1 34 34 VAL CB C 13 32.123 . . . . . . . A 34 VAL CB 2 31125 1 147 . 1 . 1 34 34 VAL N N 15 122.897 . . . . . . . A 34 VAL N 1 31125 1 148 . 1 . 1 35 35 GLY H H 1 8.822 . . . . . . . A 35 GLY H 1 31125 1 149 . 1 . 1 35 35 GLY C C 13 174.759 . . . . . . . A 35 GLY C 1 31125 1 150 . 1 . 1 35 35 GLY CA C 13 47.823 . . . . . . . A 35 GLY CA 1 31125 1 151 . 1 . 1 35 35 GLY N N 15 105.554 . . . . . . . A 35 GLY N 1 31125 1 152 . 1 . 1 36 36 THR H H 1 8.279 . . . . . . . A 36 THR H 1 31125 1 153 . 1 . 1 36 36 THR C C 13 175.34 . . . . . . . A 36 THR C 1 31125 1 154 . 1 . 1 36 36 THR CA C 13 68.803 . . . . . . . A 36 THR CA 1 31125 1 155 . 1 . 1 36 36 THR N N 15 121.902 . . . . . . . A 36 THR N 1 31125 1 156 . 1 . 1 37 37 ILE H H 1 7.582 . . . . . . . A 37 ILE H 1 31125 1 157 . 1 . 1 37 37 ILE C C 13 178.199 . . . . . . . A 37 ILE C 1 31125 1 158 . 1 . 1 37 37 ILE CA C 13 65.46 . . . . . . . A 37 ILE CA 1 31125 1 159 . 1 . 1 37 37 ILE CB C 13 39.052 . . . . . . . A 37 ILE CB 2 31125 1 160 . 1 . 1 37 37 ILE N N 15 120.239 . . . . . . . A 37 ILE N 1 31125 1 161 . 1 . 1 38 38 ILE H H 1 8.318 . . . . . . . A 38 ILE H 1 31125 1 162 . 1 . 1 38 38 ILE C C 13 177.872 . . . . . . . A 38 ILE C 1 31125 1 163 . 1 . 1 38 38 ILE CA C 13 65.718 . . . . . . . A 38 ILE CA 1 31125 1 164 . 1 . 1 38 38 ILE CB C 13 38.12 . . . . . . . A 38 ILE CB 2 31125 1 165 . 1 . 1 38 38 ILE N N 15 119.38 . . . . . . . A 38 ILE N 1 31125 1 166 . 1 . 1 39 39 CYS H H 1 8.224 . . . . . . . A 39 CYS H 1 31125 1 167 . 1 . 1 39 39 CYS C C 13 177.877 . . . . . . . A 39 CYS C 1 31125 1 168 . 1 . 1 39 39 CYS CA C 13 65.533 . . . . . . . A 39 CYS CA 1 31125 1 169 . 1 . 1 39 39 CYS CB C 13 26.677 . . . . . . . A 39 CYS CB 2 31125 1 170 . 1 . 1 39 39 CYS N N 15 116.847 . . . . . . . A 39 CYS N 1 31125 1 171 . 1 . 1 40 40 TYR H H 1 8.55 . . . . . . . A 40 TYR H 1 31125 1 172 . 1 . 1 40 40 TYR C C 13 178.571 . . . . . . . A 40 TYR C 1 31125 1 173 . 1 . 1 40 40 TYR CA C 13 60.678 . . . . . . . A 40 TYR CA 1 31125 1 174 . 1 . 1 40 40 TYR CB C 13 36.653 . . . . . . . A 40 TYR CB 2 31125 1 175 . 1 . 1 40 40 TYR N N 15 119.645 . . . . . . . A 40 TYR N 1 31125 1 176 . 1 . 1 41 41 CYS H H 1 8.514 . . . . . . . A 41 CYS H 1 31125 1 177 . 1 . 1 41 41 CYS C C 13 176.72 . . . . . . . A 41 CYS C 1 31125 1 178 . 1 . 1 41 41 CYS CA C 13 65.248 . . . . . . . A 41 CYS CA 1 31125 1 179 . 1 . 1 41 41 CYS CB C 13 27.106 . . . . . . . A 41 CYS CB 2 31125 1 180 . 1 . 1 41 41 CYS N N 15 118.485 . . . . . . . A 41 CYS N 1 31125 1 181 . 1 . 1 42 42 ALA H H 1 8.361 . . . . . . . A 42 ALA H 1 31125 1 182 . 1 . 1 42 42 ALA C C 13 178.699 . . . . . . . A 42 ALA C 1 31125 1 183 . 1 . 1 42 42 ALA CA C 13 55.141 . . . . . . . A 42 ALA CA 1 31125 1 184 . 1 . 1 42 42 ALA CB C 13 17.654 . . . . . . . A 42 ALA CB 2 31125 1 185 . 1 . 1 42 42 ALA N N 15 120.339 . . . . . . . A 42 ALA N 1 31125 1 186 . 1 . 1 43 43 SER H H 1 8.581 . . . . . . . A 43 SER H 1 31125 1 187 . 1 . 1 43 43 SER C C 13 177.439 . . . . . . . A 43 SER C 2 31125 1 188 . 1 . 1 43 43 SER CA C 13 63.184 . . . . . . . A 43 SER CA 1 31125 1 189 . 1 . 1 43 43 SER CB C 13 65.109 . . . . . . . A 43 SER CB 2 31125 1 190 . 1 . 1 43 43 SER N N 15 112.788 . . . . . . . A 43 SER N 1 31125 1 191 . 1 . 1 44 44 PHE C C 13 179.32 . . . . . . . A 44 PHE C 2 31125 1 192 . 1 . 1 44 44 PHE CA C 13 62.118 . . . . . . . A 44 PHE CA 2 31125 1 193 . 1 . 1 44 44 PHE CB C 13 38.254 . . . . . . . A 44 PHE CB 2 31125 1 194 . 1 . 1 44 44 PHE N N 15 114.392 . . . . . . . A 44 PHE N 2 31125 1 195 . 1 . 1 45 45 TRP C C 13 178.675 . . . . . . . A 45 TRP C 1 31125 1 196 . 1 . 1 45 45 TRP CA C 13 61.362 . . . . . . . A 45 TRP CA 1 31125 1 197 . 1 . 1 45 45 TRP N N 15 119.88 . . . . . . . A 45 TRP N 1 31125 1 198 . 1 . 1 46 46 LEU H H 1 8.641 . . . . . . . A 46 LEU H 1 31125 1 199 . 1 . 1 46 46 LEU C C 13 179.084 . . . . . . . A 46 LEU C 2 31125 1 200 . 1 . 1 46 46 LEU CA C 13 58.083 . . . . . . . A 46 LEU CA 1 31125 1 201 . 1 . 1 46 46 LEU CB C 13 41.468 . . . . . . . A 46 LEU CB 2 31125 1 202 . 1 . 1 46 46 LEU N N 15 119.878 . . . . . . . A 46 LEU N 1 31125 1 203 . 1 . 1 47 47 LEU H H 1 8.423 . . . . . . . A 47 LEU H 1 31125 1 204 . 1 . 1 47 47 LEU C C 13 174.088 . . . . . . . A 47 LEU C 1 31125 1 205 . 1 . 1 47 47 LEU CA C 13 58.321 . . . . . . . A 47 LEU CA 1 31125 1 206 . 1 . 1 47 47 LEU CB C 13 42.336 . . . . . . . A 47 LEU CB 2 31125 1 207 . 1 . 1 47 47 LEU N N 15 121.867 . . . . . . . A 47 LEU N 1 31125 1 208 . 1 . 1 48 48 ALA H H 1 7.996 . . . . . . . A 48 ALA H 1 31125 1 209 . 1 . 1 48 48 ALA C C 13 179.508 . . . . . . . A 48 ALA C 1 31125 1 210 . 1 . 1 48 48 ALA CA C 13 54.694 . . . . . . . A 48 ALA CA 1 31125 1 211 . 1 . 1 48 48 ALA CB C 13 17.176 . . . . . . . A 48 ALA CB 2 31125 1 212 . 1 . 1 48 48 ALA N N 15 120.239 . . . . . . . A 48 ALA N 1 31125 1 213 . 1 . 1 49 49 GLN H H 1 7.343 . . . . . . . A 49 GLN H 1 31125 1 214 . 1 . 1 49 49 GLN C C 13 179.649 . . . . . . . A 49 GLN C 1 31125 1 215 . 1 . 1 49 49 GLN CA C 13 56.316 . . . . . . . A 49 GLN CA 1 31125 1 216 . 1 . 1 49 49 GLN CB C 13 26.317 . . . . . . . A 49 GLN CB 2 31125 1 217 . 1 . 1 49 49 GLN N N 15 114.778 . . . . . . . A 49 GLN N 1 31125 1 218 . 1 . 1 50 50 THR H H 1 7.944 . . . . . . . A 50 THR H 1 31125 1 219 . 1 . 1 50 50 THR C C 13 176.115 . . . . . . . A 50 THR C 1 31125 1 220 . 1 . 1 50 50 THR CA C 13 63.153 . . . . . . . A 50 THR CA 1 31125 1 221 . 1 . 1 50 50 THR N N 15 119.592 . . . . . . . A 50 THR N 1 31125 1 222 . 1 . 1 51 51 ILE H H 1 8.107 . . . . . . . A 51 ILE H 1 31125 1 223 . 1 . 1 51 51 ILE C C 13 175.779 . . . . . . . A 51 ILE C 1 31125 1 224 . 1 . 1 51 51 ILE CA C 13 56.728 . . . . . . . A 51 ILE CA 1 31125 1 225 . 1 . 1 51 51 ILE N N 15 124.61 . . . . . . . A 51 ILE N 1 31125 1 226 . 1 . 1 52 52 ALA H H 1 7.098 . . . . . . . A 52 ALA H 1 31125 1 227 . 1 . 1 52 52 ALA C C 13 178.251 . . . . . . . A 52 ALA C 2 31125 1 228 . 1 . 1 52 52 ALA CA C 13 53.427 . . . . . . . A 52 ALA CA 1 31125 1 229 . 1 . 1 52 52 ALA CB C 13 18.04 . . . . . . . A 52 ALA CB 2 31125 1 230 . 1 . 1 52 52 ALA N N 15 122.076 . . . . . . . A 52 ALA N 1 31125 1 231 . 1 . 1 53 53 TYR C C 13 175.962 . . . . . . . A 53 TYR C 2 31125 1 232 . 1 . 1 53 53 TYR CA C 13 58.718 . . . . . . . A 53 TYR CA 2 31125 1 233 . 1 . 1 53 53 TYR N N 15 113.454 . . . . . . . A 53 TYR N 2 31125 1 234 . 1 . 1 56 56 THR C C 13 176.031 . . . . . . . A 56 THR C 1 31125 1 235 . 1 . 1 56 56 THR CA C 13 66.505 . . . . . . . A 56 THR CA 1 31125 1 236 . 1 . 1 56 56 THR CB C 13 68.374 . . . . . . . A 56 THR CB 2 31125 1 237 . 1 . 1 56 56 THR N N 15 118.703 . . . . . . . A 56 THR N 2 31125 1 238 . 1 . 1 57 57 GLY H H 1 8.953 . . . . . . . A 57 GLY H 1 31125 1 239 . 1 . 1 57 57 GLY CA C 13 47.346 . . . . . . . A 57 GLY CA 1 31125 1 240 . 1 . 1 57 57 GLY N N 15 108.543 . . . . . . . A 57 GLY N 1 31125 1 241 . 1 . 1 58 58 ILE H H 1 7.014 . . . . . . . A 58 ILE H 1 31125 1 242 . 1 . 1 58 58 ILE C C 13 176.989 . . . . . . . A 58 ILE C 1 31125 1 243 . 1 . 1 58 58 ILE CA C 13 64.504 . . . . . . . A 58 ILE CA 1 31125 1 244 . 1 . 1 58 58 ILE CB C 13 38.321 . . . . . . . A 58 ILE CB 2 31125 1 245 . 1 . 1 58 58 ILE N N 15 121.431 . . . . . . . A 58 ILE N 1 31125 1 246 . 1 . 1 59 59 ALA H H 1 8.12 . . . . . . . A 59 ALA H 1 31125 1 247 . 1 . 1 59 59 ALA C C 13 179.462 . . . . . . . A 59 ALA C 1 31125 1 248 . 1 . 1 59 59 ALA CA C 13 55.66 . . . . . . . A 59 ALA CA 1 31125 1 249 . 1 . 1 59 59 ALA CB C 13 19.257 . . . . . . . A 59 ALA CB 2 31125 1 250 . 1 . 1 59 59 ALA N N 15 121.934 . . . . . . . A 59 ALA N 1 31125 1 251 . 1 . 1 60 60 TYR H H 1 8.927 . . . . . . . A 60 TYR H 1 31125 1 252 . 1 . 1 60 60 TYR C C 13 178.434 . . . . . . . A 60 TYR C 1 31125 1 253 . 1 . 1 60 60 TYR CA C 13 61.935 . . . . . . . A 60 TYR CA 1 31125 1 254 . 1 . 1 60 60 TYR N N 15 116.64 . . . . . . . A 60 TYR N 1 31125 1 255 . 1 . 1 61 61 ALA H H 1 8.397 . . . . . . . A 61 ALA H 1 31125 1 256 . 1 . 1 61 61 ALA C C 13 179.623 . . . . . . . A 61 ALA C 1 31125 1 257 . 1 . 1 61 61 ALA CA C 13 55.131 . . . . . . . A 61 ALA CA 1 31125 1 258 . 1 . 1 61 61 ALA CB C 13 17.823 . . . . . . . A 61 ALA CB 2 31125 1 259 . 1 . 1 61 61 ALA N N 15 123.256 . . . . . . . A 61 ALA N 1 31125 1 260 . 1 . 1 62 62 ILE H H 1 8.109 . . . . . . . A 62 ILE H 1 31125 1 261 . 1 . 1 62 62 ILE C C 13 177.106 . . . . . . . A 62 ILE C 1 31125 1 262 . 1 . 1 62 62 ILE CA C 13 64.778 . . . . . . . A 62 ILE CA 1 31125 1 263 . 1 . 1 62 62 ILE N N 15 117.015 . . . . . . . A 62 ILE N 1 31125 1 264 . 1 . 1 63 63 TRP H H 1 8.793 . . . . . . . A 63 TRP H 1 31125 1 265 . 1 . 1 63 63 TRP C C 13 181.698 . . . . . . . A 63 TRP C 2 31125 1 266 . 1 . 1 63 63 TRP CA C 13 61.479 . . . . . . . A 63 TRP CA 1 31125 1 267 . 1 . 1 63 63 TRP CB C 13 31.381 . . . . . . . A 63 TRP CB 2 31125 1 268 . 1 . 1 63 63 TRP N N 15 121.47 . . . . . . . A 63 TRP N 1 31125 1 269 . 1 . 1 64 64 SER C C 13 175.774 . . . . . . . A 64 SER C 2 31125 1 270 . 1 . 1 64 64 SER CA C 13 62.649 . . . . . . . A 64 SER CA 2 31125 1 271 . 1 . 1 64 64 SER CB C 13 63.967 . . . . . . . A 64 SER CB 2 31125 1 272 . 1 . 1 64 64 SER N N 15 117.238 . . . . . . . A 64 SER N 2 31125 1 273 . 1 . 1 65 65 GLY H H 1 8.448 . . . . . . . A 65 GLY H 1 31125 1 274 . 1 . 1 65 65 GLY C C 13 174.667 . . . . . . . A 65 GLY C 2 31125 1 275 . 1 . 1 65 65 GLY CA C 13 47.347 . . . . . . . A 65 GLY CA 1 31125 1 276 . 1 . 1 65 65 GLY N N 15 110.746 . . . . . . . A 65 GLY N 1 31125 1 277 . 1 . 1 66 66 VAL H H 1 8.544 . . . . . . . A 66 VAL H 1 31125 1 278 . 1 . 1 66 66 VAL C C 13 178.405 . . . . . . . A 66 VAL C 1 31125 1 279 . 1 . 1 66 66 VAL CA C 13 66.322 . . . . . . . A 66 VAL CA 1 31125 1 280 . 1 . 1 66 66 VAL CB C 13 30.447 . . . . . . . A 66 VAL CB 2 31125 1 281 . 1 . 1 66 66 VAL N N 15 118.791 . . . . . . . A 66 VAL N 1 31125 1 282 . 1 . 1 67 67 GLY H H 1 7.081 . . . . . . . A 67 GLY H 1 31125 1 283 . 1 . 1 67 67 GLY C C 13 174.365 . . . . . . . A 67 GLY C 2 31125 1 284 . 1 . 1 67 67 GLY CA C 13 47.346 . . . . . . . A 67 GLY CA 1 31125 1 285 . 1 . 1 67 67 GLY N N 15 106.864 . . . . . . . A 67 GLY N 1 31125 1 286 . 1 . 1 69 69 VAL CA C 13 67.375 . . . . . . . A 69 VAL CA 2 31125 1 287 . 1 . 1 69 69 VAL CB C 13 31.918 . . . . . . . A 69 VAL CB 2 31125 1 288 . 1 . 1 69 69 VAL N N 15 124.718 . . . . . . . A 69 VAL N 2 31125 1 289 . 1 . 1 70 70 LEU H H 1 8.776 . . . . . . . A 70 LEU H 1 31125 1 290 . 1 . 1 70 70 LEU C C 13 179.52 . . . . . . . A 70 LEU C 1 31125 1 291 . 1 . 1 70 70 LEU CA C 13 58.023 . . . . . . . A 70 LEU CA 1 31125 1 292 . 1 . 1 70 70 LEU CB C 13 41.721 . . . . . . . A 70 LEU CB 2 31125 1 293 . 1 . 1 70 70 LEU N N 15 119.284 . . . . . . . A 70 LEU N 1 31125 1 294 . 1 . 1 71 71 ILE H H 1 9.161 . . . . . . . A 71 ILE H 1 31125 1 295 . 1 . 1 71 71 ILE CA C 13 65.425 . . . . . . . A 71 ILE CA 1 31125 1 296 . 1 . 1 71 71 ILE CB C 13 37.938 . . . . . . . A 71 ILE CB 2 31125 1 297 . 1 . 1 71 71 ILE N N 15 120.277 . . . . . . . A 71 ILE N 1 31125 1 298 . 1 . 1 72 72 SER H H 1 7.295 . . . . . . . A 72 SER H 1 31125 1 299 . 1 . 1 72 72 SER C C 13 176.702 . . . . . . . A 72 SER C 1 31125 1 300 . 1 . 1 72 72 SER CA C 13 62.834 . . . . . . . A 72 SER CA 1 31125 1 301 . 1 . 1 72 72 SER CB C 13 62.541 . . . . . . . A 72 SER CB 2 31125 1 302 . 1 . 1 72 72 SER N N 15 118.652 . . . . . . . A 72 SER N 1 31125 1 303 . 1 . 1 73 73 LEU H H 1 8.363 . . . . . . . A 73 LEU H 1 31125 1 304 . 1 . 1 73 73 LEU C C 13 178.598 . . . . . . . A 73 LEU C 2 31125 1 305 . 1 . 1 73 73 LEU CA C 13 58.222 . . . . . . . A 73 LEU CA 1 31125 1 306 . 1 . 1 73 73 LEU CB C 13 42.427 . . . . . . . A 73 LEU CB 2 31125 1 307 . 1 . 1 73 73 LEU N N 15 124.784 . . . . . . . A 73 LEU N 1 31125 1 308 . 1 . 1 75 75 SER C C 13 176.885 . . . . . . . A 75 SER C 1 31125 1 309 . 1 . 1 75 75 SER CA C 13 62.922 . . . . . . . A 75 SER CA 1 31125 1 310 . 1 . 1 76 76 TRP H H 1 7.814 . . . . . . . A 76 TRP H 1 31125 1 311 . 1 . 1 76 76 TRP C C 13 177.903 . . . . . . . A 76 TRP C 1 31125 1 312 . 1 . 1 76 76 TRP CA C 13 59.303 . . . . . . . A 76 TRP CA 1 31125 1 313 . 1 . 1 76 76 TRP N N 15 125.545 . . . . . . . A 76 TRP N 1 31125 1 314 . 1 . 1 77 77 GLY H H 1 8.232 . . . . . . . A 77 GLY H 1 31125 1 315 . 1 . 1 77 77 GLY N N 15 104.731 . . . . . . . A 77 GLY N 1 31125 1 316 . 1 . 1 78 78 PHE H H 1 6.828 . . . . . . . A 78 PHE H 1 31125 1 317 . 1 . 1 78 78 PHE C C 13 176.804 . . . . . . . A 78 PHE C 1 31125 1 318 . 1 . 1 78 78 PHE CA C 13 55.809 . . . . . . . A 78 PHE CA 1 31125 1 319 . 1 . 1 78 78 PHE N N 15 113.194 . . . . . . . A 78 PHE N 1 31125 1 320 . 1 . 1 79 79 PHE H H 1 6.847 . . . . . . . A 79 PHE H 1 31125 1 321 . 1 . 1 79 79 PHE C C 13 176.795 . . . . . . . A 79 PHE C 1 31125 1 322 . 1 . 1 79 79 PHE CA C 13 55.59 . . . . . . . A 79 PHE CA 1 31125 1 323 . 1 . 1 79 79 PHE CB C 13 39.931 . . . . . . . A 79 PHE CB 2 31125 1 324 . 1 . 1 79 79 PHE N N 15 113.226 . . . . . . . A 79 PHE N 1 31125 1 325 . 1 . 1 80 80 GLY H H 1 7.502 . . . . . . . A 80 GLY H 1 31125 1 326 . 1 . 1 80 80 GLY C C 13 175.132 . . . . . . . A 80 GLY C 1 31125 1 327 . 1 . 1 80 80 GLY CA C 13 46.716 . . . . . . . A 80 GLY CA 2 31125 1 328 . 1 . 1 80 80 GLY N N 15 109.466 . . . . . . . A 80 GLY N 1 31125 1 329 . 1 . 1 81 81 GLN H H 1 7.765 . . . . . . . A 81 GLN H 1 31125 1 330 . 1 . 1 81 81 GLN C C 13 174.29 . . . . . . . A 81 GLN C 1 31125 1 331 . 1 . 1 81 81 GLN CA C 13 55.407 . . . . . . . A 81 GLN CA 1 31125 1 332 . 1 . 1 81 81 GLN N N 15 120.445 . . . . . . . A 81 GLN N 1 31125 1 333 . 1 . 1 82 82 ARG H H 1 7.809 . . . . . . . A 82 ARG H 1 31125 1 334 . 1 . 1 82 82 ARG C C 13 175.46 . . . . . . . A 82 ARG C 1 31125 1 335 . 1 . 1 82 82 ARG CA C 13 55.44 . . . . . . . A 82 ARG CA 1 31125 1 336 . 1 . 1 82 82 ARG CB C 13 31.518 . . . . . . . A 82 ARG CB 2 31125 1 337 . 1 . 1 82 82 ARG N N 15 126.586 . . . . . . . A 82 ARG N 1 31125 1 338 . 1 . 1 83 83 LEU H H 1 6.616 . . . . . . . A 83 LEU H 1 31125 1 339 . 1 . 1 83 83 LEU C C 13 175.141 . . . . . . . A 83 LEU C 1 31125 1 340 . 1 . 1 83 83 LEU CA C 13 52.877 . . . . . . . A 83 LEU CA 1 31125 1 341 . 1 . 1 83 83 LEU CB C 13 44.586 . . . . . . . A 83 LEU CB 2 31125 1 342 . 1 . 1 83 83 LEU N N 15 123.559 . . . . . . . A 83 LEU N 1 31125 1 343 . 1 . 1 84 84 ASP H H 1 7.532 . . . . . . . A 84 ASP H 1 31125 1 344 . 1 . 1 84 84 ASP C C 13 175.391 . . . . . . . A 84 ASP C 1 31125 1 345 . 1 . 1 84 84 ASP CA C 13 51.114 . . . . . . . A 84 ASP CA 1 31125 1 346 . 1 . 1 84 84 ASP CB C 13 41.408 . . . . . . . A 84 ASP CB 2 31125 1 347 . 1 . 1 84 84 ASP N N 15 119.892 . . . . . . . A 84 ASP N 1 31125 1 348 . 1 . 1 85 85 LEU H H 1 8.749 . . . . . . . A 85 LEU H 1 31125 1 349 . 1 . 1 85 85 LEU C C 13 176.034 . . . . . . . A 85 LEU C 2 31125 1 350 . 1 . 1 85 85 LEU CA C 13 59.455 . . . . . . . A 85 LEU CA 1 31125 1 351 . 1 . 1 85 85 LEU CB C 13 38.799 . . . . . . . A 85 LEU CB 2 31125 1 352 . 1 . 1 85 85 LEU N N 15 119.136 . . . . . . . A 85 LEU N 1 31125 1 353 . 1 . 1 86 86 PRO C C 13 177.877 . . . . . . . A 86 PRO C 1 31125 1 354 . 1 . 1 86 86 PRO CA C 13 66.335 . . . . . . . A 86 PRO CA 1 31125 1 355 . 1 . 1 86 86 PRO CB C 13 31.806 . . . . . . . A 86 PRO CB 2 31125 1 356 . 1 . 1 86 86 PRO N N 15 133.059 . . . . . . . A 86 PRO N 2 31125 1 357 . 1 . 1 87 87 ALA H H 1 7.545 . . . . . . . A 87 ALA H 1 31125 1 358 . 1 . 1 87 87 ALA C C 13 179.212 . . . . . . . A 87 ALA C 1 31125 1 359 . 1 . 1 87 87 ALA CA C 13 55.446 . . . . . . . A 87 ALA CA 1 31125 1 360 . 1 . 1 87 87 ALA CB C 13 18.91 . . . . . . . A 87 ALA CB 2 31125 1 361 . 1 . 1 87 87 ALA N N 15 118.05 . . . . . . . A 87 ALA N 1 31125 1 362 . 1 . 1 88 88 ILE H H 1 8.251 . . . . . . . A 88 ILE H 1 31125 1 363 . 1 . 1 88 88 ILE C C 13 178.476 . . . . . . . A 88 ILE C 1 31125 1 364 . 1 . 1 88 88 ILE CA C 13 65.479 . . . . . . . A 88 ILE CA 1 31125 1 365 . 1 . 1 88 88 ILE N N 15 118.765 . . . . . . . A 88 ILE N 1 31125 1 366 . 1 . 1 89 89 ILE H H 1 8.768 . . . . . . . A 89 ILE H 1 31125 1 367 . 1 . 1 89 89 ILE C C 13 178.437 . . . . . . . A 89 ILE C 1 31125 1 368 . 1 . 1 89 89 ILE CA C 13 64.431 . . . . . . . A 89 ILE CA 1 31125 1 369 . 1 . 1 89 89 ILE N N 15 119.665 . . . . . . . A 89 ILE N 1 31125 1 370 . 1 . 1 90 90 GLY H H 1 8.851 . . . . . . . A 90 GLY H 1 31125 1 371 . 1 . 1 90 90 GLY CA C 13 47.647 . . . . . . . A 90 GLY CA 1 31125 1 372 . 1 . 1 90 90 GLY N N 15 107.954 . . . . . . . A 90 GLY N 1 31125 1 373 . 1 . 1 91 91 MET CA C 13 60.015 . . . . . . . A 91 MET CA 2 31125 1 374 . 1 . 1 91 91 MET CB C 13 32.984 . . . . . . . A 91 MET CB 2 31125 1 375 . 1 . 1 91 91 MET N N 15 119.538 . . . . . . . A 91 MET N 2 31125 1 376 . 1 . 1 93 93 LEU CA C 13 58.65 . . . . . . . A 93 LEU CA 2 31125 1 377 . 1 . 1 94 94 ILE CA C 13 65.742 . . . . . . . A 94 ILE CA 2 31125 1 378 . 1 . 1 94 94 ILE CB C 13 38.361 . . . . . . . A 94 ILE CB 2 31125 1 379 . 1 . 1 94 94 ILE N N 15 118.069 . . . . . . . A 94 ILE N 2 31125 1 380 . 1 . 1 95 95 CYS C C 13 176.481 . . . . . . . A 95 CYS C 2 31125 1 381 . 1 . 1 95 95 CYS CA C 13 64.988 . . . . . . . A 95 CYS CA 2 31125 1 382 . 1 . 1 95 95 CYS CB C 13 27.07 . . . . . . . A 95 CYS CB 2 31125 1 383 . 1 . 1 95 95 CYS N N 15 117.262 . . . . . . . A 95 CYS N 2 31125 1 384 . 1 . 1 96 96 ALA C C 13 179.11 . . . . . . . A 96 ALA C 1 31125 1 385 . 1 . 1 96 96 ALA CA C 13 55.572 . . . . . . . A 96 ALA CA 2 31125 1 386 . 1 . 1 96 96 ALA CB C 13 18.547 . . . . . . . A 96 ALA CB 2 31125 1 387 . 1 . 1 96 96 ALA N N 15 119.483 . . . . . . . A 96 ALA N 2 31125 1 388 . 1 . 1 97 97 GLY H H 1 8.528 . . . . . . . A 97 GLY H 1 31125 1 389 . 1 . 1 97 97 GLY C C 13 175.287 . . . . . . . A 97 GLY C 2 31125 1 390 . 1 . 1 97 97 GLY CA C 13 48.443 . . . . . . . A 97 GLY CA 1 31125 1 391 . 1 . 1 97 97 GLY N N 15 106.512 . . . . . . . A 97 GLY N 1 31125 1 392 . 1 . 1 98 98 VAL C C 13 179.261 . . . . . . . A 98 VAL C 2 31125 1 393 . 1 . 1 98 98 VAL CA C 13 67.027 . . . . . . . A 98 VAL CA 2 31125 1 394 . 1 . 1 98 98 VAL CB C 13 32.152 . . . . . . . A 98 VAL CB 2 31125 1 395 . 1 . 1 98 98 VAL N N 15 121.338 . . . . . . . A 98 VAL N 2 31125 1 396 . 1 . 1 99 99 LEU C C 13 178.971 . . . . . . . A 99 LEU C 2 31125 1 397 . 1 . 1 99 99 LEU CA C 13 58.586 . . . . . . . A 99 LEU CA 2 31125 1 398 . 1 . 1 99 99 LEU CB C 13 40.622 . . . . . . . A 99 LEU CB 2 31125 1 399 . 1 . 1 99 99 LEU N N 15 120.765 . . . . . . . A 99 LEU N 2 31125 1 400 . 1 . 1 100 100 ILE CA C 13 65.738 . . . . . . . A 100 ILE CA 2 31125 1 401 . 1 . 1 100 100 ILE N N 15 118.19 . . . . . . . A 100 ILE N 2 31125 1 402 . 1 . 1 101 101 ILE C C 13 178.095 . . . . . . . A 101 ILE C 2 31125 1 403 . 1 . 1 101 101 ILE CA C 13 66.191 . . . . . . . A 101 ILE CA 2 31125 1 404 . 1 . 1 101 101 ILE CB C 13 38.072 . . . . . . . A 101 ILE CB 2 31125 1 405 . 1 . 1 101 101 ILE N N 15 118.114 . . . . . . . A 101 ILE N 2 31125 1 406 . 1 . 1 102 102 ASN C C 13 173.959 . . . . . . . A 102 ASN C 1 31125 1 407 . 1 . 1 102 102 ASN CA C 13 56.939 . . . . . . . A 102 ASN CA 2 31125 1 408 . 1 . 1 102 102 ASN CB C 13 40.538 . . . . . . . A 102 ASN CB 2 31125 1 409 . 1 . 1 102 102 ASN N N 15 114.202 . . . . . . . A 102 ASN N 2 31125 1 410 . 1 . 1 103 103 LEU H H 1 8.463 . . . . . . . A 103 LEU H 1 31125 1 411 . 1 . 1 103 103 LEU C C 13 177.623 . . . . . . . A 103 LEU C 1 31125 1 412 . 1 . 1 103 103 LEU CA C 13 58.387 . . . . . . . A 103 LEU CA 1 31125 1 413 . 1 . 1 103 103 LEU CB C 13 43.054 . . . . . . . A 103 LEU CB 2 31125 1 414 . 1 . 1 103 103 LEU N N 15 115.037 . . . . . . . A 103 LEU N 1 31125 1 415 . 1 . 1 104 104 LEU H H 1 7.629 . . . . . . . A 104 LEU H 1 31125 1 416 . 1 . 1 104 104 LEU C C 13 173.825 . . . . . . . A 104 LEU C 1 31125 1 417 . 1 . 1 104 104 LEU CA C 13 54.532 . . . . . . . A 104 LEU CA 1 31125 1 418 . 1 . 1 104 104 LEU CB C 13 44.778 . . . . . . . A 104 LEU CB 2 31125 1 419 . 1 . 1 104 104 LEU N N 15 115.45 . . . . . . . A 104 LEU N 1 31125 1 420 . 1 . 1 105 105 SER H H 1 7.22 . . . . . . . A 105 SER H 1 31125 1 421 . 1 . 1 105 105 SER CA C 13 57.95 . . . . . . . A 105 SER CA 1 31125 1 422 . 1 . 1 105 105 SER CB C 13 64.49 . . . . . . . A 105 SER CB 2 31125 1 423 . 1 . 1 105 105 SER N N 15 113.741 . . . . . . . A 105 SER N 1 31125 1 424 . 1 . 1 106 106 ARG H H 1 9.169 . . . . . . . A 106 ARG H 1 31125 1 425 . 1 . 1 106 106 ARG C C 13 175.305 . . . . . . . A 106 ARG C 2 31125 1 426 . 1 . 1 106 106 ARG CA C 13 55.524 . . . . . . . A 106 ARG CA 1 31125 1 427 . 1 . 1 106 106 ARG CB C 13 31.424 . . . . . . . A 106 ARG CB 2 31125 1 428 . 1 . 1 106 106 ARG N N 15 127.181 . . . . . . . A 106 ARG N 1 31125 1 429 . 1 . 1 107 107 SER H H 1 8.43 . . . . . . . A 107 SER H 1 31125 1 430 . 1 . 1 107 107 SER CA C 13 58.533 . . . . . . . A 107 SER CA 1 31125 1 431 . 1 . 1 107 107 SER N N 15 117.818 . . . . . . . A 107 SER N 1 31125 1 432 . 1 . 1 109 109 PRO C C 13 176.079 . . . . . . . A 109 PRO C 1 31125 1 433 . 1 . 1 109 109 PRO CA C 13 63.266 . . . . . . . A 109 PRO CA 1 31125 1 434 . 1 . 1 110 110 HIS H H 1 7.962 . . . . . . . A 110 HIS H 1 31125 1 435 . 1 . 1 110 110 HIS CA C 13 56.628 . . . . . . . A 110 HIS CA 1 31125 1 436 . 1 . 1 110 110 HIS N N 15 124.3 . . . . . . . A 110 HIS N 1 31125 1 437 . 2 . 2 1 1 MET H H 1 7.978 . . . . . . . B 1 MET H1 1 31125 1 438 . 2 . 2 1 1 MET C C 13 175.241 . . . . . . . B 1 MET C 1 31125 1 439 . 2 . 2 1 1 MET CA C 13 54.726 . . . . . . . B 1 MET CA 1 31125 1 440 . 2 . 2 1 1 MET N N 15 119.967 . . . . . . . B 1 MET N 1 31125 1 441 . 2 . 2 2 2 ASN H H 1 8.288 . . . . . . . B 2 ASN H 1 31125 1 442 . 2 . 2 2 2 ASN CA C 13 51.174 . . . . . . . B 2 ASN CA 1 31125 1 443 . 2 . 2 2 2 ASN N N 15 122.24 . . . . . . . B 2 ASN N 1 31125 1 444 . 2 . 2 3 3 PRO C C 13 176.989 . . . . . . . B 3 PRO C 1 31125 1 445 . 2 . 2 3 3 PRO CA C 13 62.86 . . . . . . . B 3 PRO CA 1 31125 1 446 . 2 . 2 4 4 TYR H H 1 8.285 . . . . . . . B 4 TYR H 1 31125 1 447 . 2 . 2 4 4 TYR C C 13 178.474 . . . . . . . B 4 TYR C 1 31125 1 448 . 2 . 2 4 4 TYR CA C 13 61.368 . . . . . . . B 4 TYR CA 1 31125 1 449 . 2 . 2 4 4 TYR N N 15 115.827 . . . . . . . B 4 TYR N 1 31125 1 450 . 2 . 2 5 5 ILE H H 1 7.688 . . . . . . . B 5 ILE H 1 31125 1 451 . 2 . 2 5 5 ILE C C 13 178.216 . . . . . . . B 5 ILE C 1 31125 1 452 . 2 . 2 5 5 ILE CA C 13 64.169 . . . . . . . B 5 ILE CA 1 31125 1 453 . 2 . 2 5 5 ILE N N 15 121.148 . . . . . . . B 5 ILE N 1 31125 1 454 . 2 . 2 6 6 TYR H H 1 7.011 . . . . . . . B 6 TYR H 1 31125 1 455 . 2 . 2 6 6 TYR C C 13 174.532 . . . . . . . B 6 TYR C 1 31125 1 456 . 2 . 2 6 6 TYR CA C 13 61.507 . . . . . . . B 6 TYR CA 1 31125 1 457 . 2 . 2 6 6 TYR CB C 13 37.64 . . . . . . . B 6 TYR CB 2 31125 1 458 . 2 . 2 6 6 TYR N N 15 119.334 . . . . . . . B 6 TYR N 1 31125 1 459 . 2 . 2 7 7 LEU H H 1 7.801 . . . . . . . B 7 LEU H 1 31125 1 460 . 2 . 2 7 7 LEU C C 13 178.818 . . . . . . . B 7 LEU C 1 31125 1 461 . 2 . 2 7 7 LEU CA C 13 57.454 . . . . . . . B 7 LEU CA 1 31125 1 462 . 2 . 2 7 7 LEU CB C 13 42.48 . . . . . . . B 7 LEU CB 2 31125 1 463 . 2 . 2 7 7 LEU N N 15 119.26 . . . . . . . B 7 LEU N 1 31125 1 464 . 2 . 2 8 8 GLY H H 1 8.671 . . . . . . . B 8 GLY H 1 31125 1 465 . 2 . 2 8 8 GLY C C 13 175.745 . . . . . . . B 8 GLY C 1 31125 1 466 . 2 . 2 8 8 GLY CA C 13 47.213 . . . . . . . B 8 GLY CA 1 31125 1 467 . 2 . 2 8 8 GLY N N 15 106.607 . . . . . . . B 8 GLY N 1 31125 1 468 . 2 . 2 9 9 GLY H H 1 8.77 . . . . . . . B 9 GLY H 1 31125 1 469 . 2 . 2 9 9 GLY C C 13 174.502 . . . . . . . B 9 GLY C 1 31125 1 470 . 2 . 2 9 9 GLY CA C 13 47.38 . . . . . . . B 9 GLY CA 1 31125 1 471 . 2 . 2 9 9 GLY N N 15 109.728 . . . . . . . B 9 GLY N 1 31125 1 472 . 2 . 2 10 10 ALA H H 1 8.898 . . . . . . . B 10 ALA H 1 31125 1 473 . 2 . 2 10 10 ALA C C 13 182.239 . . . . . . . B 10 ALA C 1 31125 1 474 . 2 . 2 10 10 ALA CA C 13 55.28 . . . . . . . B 10 ALA CA 1 31125 1 475 . 2 . 2 10 10 ALA CB C 13 19.25 . . . . . . . B 10 ALA CB 2 31125 1 476 . 2 . 2 10 10 ALA N N 15 125.036 . . . . . . . B 10 ALA N 1 31125 1 477 . 2 . 2 11 11 ILE H H 1 8.527 . . . . . . . B 11 ILE H 1 31125 1 478 . 2 . 2 11 11 ILE C C 13 177.189 . . . . . . . B 11 ILE C 1 31125 1 479 . 2 . 2 11 11 ILE CA C 13 64.337 . . . . . . . B 11 ILE CA 1 31125 1 480 . 2 . 2 11 11 ILE CB C 13 38.16 . . . . . . . B 11 ILE CB 2 31125 1 481 . 2 . 2 11 11 ILE N N 15 123.132 . . . . . . . B 11 ILE N 1 31125 1 482 . 2 . 2 12 12 LEU H H 1 8.335 . . . . . . . B 12 LEU H 1 31125 1 483 . 2 . 2 12 12 LEU C C 13 178.419 . . . . . . . B 12 LEU C 1 31125 1 484 . 2 . 2 12 12 LEU CA C 13 58.112 . . . . . . . B 12 LEU CA 1 31125 1 485 . 2 . 2 12 12 LEU CB C 13 41.46 . . . . . . . B 12 LEU CB 2 31125 1 486 . 2 . 2 12 12 LEU N N 15 120.99 . . . . . . . B 12 LEU N 1 31125 1 487 . 2 . 2 13 13 ALA H H 1 8.482 . . . . . . . B 13 ALA H 1 31125 1 488 . 2 . 2 13 13 ALA C C 13 178.855 . . . . . . . B 13 ALA C 1 31125 1 489 . 2 . 2 13 13 ALA CA C 13 55.448 . . . . . . . B 13 ALA CA 1 31125 1 490 . 2 . 2 13 13 ALA CB C 13 17.34 . . . . . . . B 13 ALA CB 2 31125 1 491 . 2 . 2 13 13 ALA N N 15 119.502 . . . . . . . B 13 ALA N 1 31125 1 492 . 2 . 2 14 14 GLU H H 1 7.742 . . . . . . . B 14 GLU H 1 31125 1 493 . 2 . 2 14 14 GLU C C 13 177.994 . . . . . . . B 14 GLU C 1 31125 1 494 . 2 . 2 14 14 GLU CA C 13 58.609 . . . . . . . B 14 GLU CA 1 31125 1 495 . 2 . 2 14 14 GLU CB C 13 27.23 . . . . . . . B 14 GLU CB 2 31125 1 496 . 2 . 2 14 14 GLU N N 15 119.191 . . . . . . . B 14 GLU N 1 31125 1 497 . 2 . 2 15 15 VAL H H 1 8.334 . . . . . . . B 15 VAL H 1 31125 1 498 . 2 . 2 15 15 VAL C C 13 178.914 . . . . . . . B 15 VAL C 1 31125 1 499 . 2 . 2 15 15 VAL CA C 13 66.1 . . . . . . . B 15 VAL CA 1 31125 1 500 . 2 . 2 15 15 VAL CB C 13 31.65 . . . . . . . B 15 VAL CB 2 31125 1 501 . 2 . 2 15 15 VAL N N 15 122.145 . . . . . . . B 15 VAL N 1 31125 1 502 . 2 . 2 16 16 ILE H H 1 8.564 . . . . . . . B 16 ILE H 1 31125 1 503 . 2 . 2 16 16 ILE C C 13 178.019 . . . . . . . B 16 ILE C 1 31125 1 504 . 2 . 2 16 16 ILE CA C 13 65.048 . . . . . . . B 16 ILE CA 1 31125 1 505 . 2 . 2 16 16 ILE CB C 13 37.37 . . . . . . . B 16 ILE CB 2 31125 1 506 . 2 . 2 16 16 ILE N N 15 122.394 . . . . . . . B 16 ILE N 1 31125 1 507 . 2 . 2 17 17 GLY H H 1 8.482 . . . . . . . B 17 GLY H 1 31125 1 508 . 2 . 2 17 17 GLY C C 13 174.9 . . . . . . . B 17 GLY C 2 31125 1 509 . 2 . 2 17 17 GLY CA C 13 47.653 . . . . . . . B 17 GLY CA 1 31125 1 510 . 2 . 2 17 17 GLY N N 15 107.913 . . . . . . . B 17 GLY N 1 31125 1 511 . 2 . 2 18 18 THR C C 13 176.7 . . . . . . . B 18 THR C 2 31125 1 512 . 2 . 2 18 18 THR CA C 13 66.09 . . . . . . . B 18 THR CA 2 31125 1 513 . 2 . 2 18 18 THR CB C 13 69.2 . . . . . . . B 18 THR CB 2 31125 1 514 . 2 . 2 18 18 THR N N 15 119 . . . . . . . B 18 THR N 2 31125 1 515 . 2 . 2 19 19 THR C C 13 176.195 . . . . . . . B 19 THR C 1 31125 1 516 . 2 . 2 19 19 THR CA C 13 68.06 . . . . . . . B 19 THR CA 2 31125 1 517 . 2 . 2 19 19 THR CB C 13 67.76 . . . . . . . B 19 THR CB 2 31125 1 518 . 2 . 2 19 19 THR N N 15 120 . . . . . . . B 19 THR N 2 31125 1 519 . 2 . 2 20 20 LEU H H 1 8.219 . . . . . . . B 20 LEU H 1 31125 1 520 . 2 . 2 20 20 LEU C C 13 178.8 . . . . . . . B 20 LEU C 1 31125 1 521 . 2 . 2 20 20 LEU CA C 13 57.907 . . . . . . . B 20 LEU CA 1 31125 1 522 . 2 . 2 20 20 LEU CB C 13 42.53 . . . . . . . B 20 LEU CB 2 31125 1 523 . 2 . 2 20 20 LEU N N 15 120.853 . . . . . . . B 20 LEU N 1 31125 1 524 . 2 . 2 21 21 MET H H 1 8.131 . . . . . . . B 21 MET H 1 31125 1 525 . 2 . 2 21 21 MET C C 13 181.254 . . . . . . . B 21 MET C 1 31125 1 526 . 2 . 2 21 21 MET CA C 13 59.212 . . . . . . . B 21 MET CA 1 31125 1 527 . 2 . 2 21 21 MET CB C 13 33.12 . . . . . . . B 21 MET CB 2 31125 1 528 . 2 . 2 21 21 MET N N 15 121.469 . . . . . . . B 21 MET N 1 31125 1 529 . 2 . 2 22 22 LYS H H 1 7.72 . . . . . . . B 22 LYS H 1 31125 1 530 . 2 . 2 22 22 LYS CA C 13 58.672 . . . . . . . B 22 LYS CA 1 31125 1 531 . 2 . 2 22 22 LYS N N 15 122.956 . . . . . . . B 22 LYS N 1 31125 1 532 . 2 . 2 23 23 PHE H H 1 7.58 . . . . . . . B 23 PHE H 1 31125 1 533 . 2 . 2 23 23 PHE C C 13 175.724 . . . . . . . B 23 PHE C 1 31125 1 534 . 2 . 2 23 23 PHE CA C 13 58.647 . . . . . . . B 23 PHE CA 1 31125 1 535 . 2 . 2 23 23 PHE N N 15 118.083 . . . . . . . B 23 PHE N 1 31125 1 536 . 2 . 2 24 24 SER H H 1 7.907 . . . . . . . B 24 SER H 1 31125 1 537 . 2 . 2 24 24 SER CA C 13 60.251 . . . . . . . B 24 SER CA 1 31125 1 538 . 2 . 2 24 24 SER N N 15 115.132 . . . . . . . B 24 SER N 1 31125 1 539 . 2 . 2 25 25 GLU H H 1 8.085 . . . . . . . B 25 GLU H 1 31125 1 540 . 2 . 2 25 25 GLU C C 13 177.98 . . . . . . . B 25 GLU C 1 31125 1 541 . 2 . 2 25 25 GLU CA C 13 55.693 . . . . . . . B 25 GLU CA 1 31125 1 542 . 2 . 2 25 25 GLU CB C 13 26.74 . . . . . . . B 25 GLU CB 2 31125 1 543 . 2 . 2 25 25 GLU N N 15 122.195 . . . . . . . B 25 GLU N 1 31125 1 544 . 2 . 2 26 26 GLY H H 1 9.203 . . . . . . . B 26 GLY H 1 31125 1 545 . 2 . 2 26 26 GLY C C 13 174.687 . . . . . . . B 26 GLY C 1 31125 1 546 . 2 . 2 26 26 GLY CA C 13 47.23 . . . . . . . B 26 GLY CA 2 31125 1 547 . 2 . 2 26 26 GLY N N 15 113.245 . . . . . . . B 26 GLY N 1 31125 1 548 . 2 . 2 27 27 PHE H H 1 7.925 . . . . . . . B 27 PHE H 1 31125 1 549 . 2 . 2 27 27 PHE C C 13 174.26 . . . . . . . B 27 PHE C 1 31125 1 550 . 2 . 2 27 27 PHE CA C 13 58.924 . . . . . . . B 27 PHE CA 1 31125 1 551 . 2 . 2 27 27 PHE CB C 13 39.82 . . . . . . . B 27 PHE CB 2 31125 1 552 . 2 . 2 27 27 PHE N N 15 114.188 . . . . . . . B 27 PHE N 1 31125 1 553 . 2 . 2 28 28 THR H H 1 7.534 . . . . . . . B 28 THR H 1 31125 1 554 . 2 . 2 28 28 THR C C 13 175.372 . . . . . . . B 28 THR C 1 31125 1 555 . 2 . 2 28 28 THR CA C 13 62.017 . . . . . . . B 28 THR CA 1 31125 1 556 . 2 . 2 28 28 THR CB C 13 71.06 . . . . . . . B 28 THR CB 2 31125 1 557 . 2 . 2 28 28 THR N N 15 102.905 . . . . . . . B 28 THR N 1 31125 1 558 . 2 . 2 29 29 ARG H H 1 7.549 . . . . . . . B 29 ARG H 1 31125 1 559 . 2 . 2 29 29 ARG C C 13 177.869 . . . . . . . B 29 ARG C 1 31125 1 560 . 2 . 2 29 29 ARG CA C 13 54.163 . . . . . . . B 29 ARG CA 1 31125 1 561 . 2 . 2 29 29 ARG CB C 13 32.64 . . . . . . . B 29 ARG CB 2 31125 1 562 . 2 . 2 29 29 ARG N N 15 121.011 . . . . . . . B 29 ARG N 1 31125 1 563 . 2 . 2 30 30 LEU H H 1 8.96 . . . . . . . B 30 LEU H 1 31125 1 564 . 2 . 2 30 30 LEU C C 13 177.551 . . . . . . . B 30 LEU C 1 31125 1 565 . 2 . 2 30 30 LEU CA C 13 59.677 . . . . . . . B 30 LEU CA 1 31125 1 566 . 2 . 2 30 30 LEU CB C 13 42.07 . . . . . . . B 30 LEU CB 2 31125 1 567 . 2 . 2 30 30 LEU N N 15 131.325 . . . . . . . B 30 LEU N 1 31125 1 568 . 2 . 2 31 31 TRP H H 1 9.223 . . . . . . . B 31 TRP H 1 31125 1 569 . 2 . 2 31 31 TRP C C 13 177.1 . . . . . . . B 31 TRP C 2 31125 1 570 . 2 . 2 31 31 TRP CA C 13 61.719 . . . . . . . B 31 TRP CA 1 31125 1 571 . 2 . 2 31 31 TRP CB C 13 31.56 . . . . . . . B 31 TRP CB 2 31125 1 572 . 2 . 2 31 31 TRP N N 15 118.964 . . . . . . . B 31 TRP N 1 31125 1 573 . 2 . 2 32 32 PRO C C 13 179.259 . . . . . . . B 32 PRO C 1 31125 1 574 . 2 . 2 32 32 PRO CA C 13 65.162 . . . . . . . B 32 PRO CA 1 31125 1 575 . 2 . 2 32 32 PRO CB C 13 31.66 . . . . . . . B 32 PRO CB 2 31125 1 576 . 2 . 2 32 32 PRO N N 15 132.9 . . . . . . . B 32 PRO N 2 31125 1 577 . 2 . 2 33 33 SER H H 1 7.309 . . . . . . . B 33 SER H 1 31125 1 578 . 2 . 2 33 33 SER C C 13 175.18 . . . . . . . B 33 SER C 1 31125 1 579 . 2 . 2 33 33 SER CA C 13 63.556 . . . . . . . B 33 SER CA 1 31125 1 580 . 2 . 2 33 33 SER CB C 13 61.58 . . . . . . . B 33 SER CB 2 31125 1 581 . 2 . 2 33 33 SER N N 15 116.035 . . . . . . . B 33 SER N 1 31125 1 582 . 2 . 2 34 34 VAL H H 1 8.407 . . . . . . . B 34 VAL H 1 31125 1 583 . 2 . 2 34 34 VAL C C 13 178.525 . . . . . . . B 34 VAL C 1 31125 1 584 . 2 . 2 34 34 VAL CA C 13 66.498 . . . . . . . B 34 VAL CA 1 31125 1 585 . 2 . 2 34 34 VAL CB C 13 31.55 . . . . . . . B 34 VAL CB 2 31125 1 586 . 2 . 2 34 34 VAL N N 15 122.151 . . . . . . . B 34 VAL N 1 31125 1 587 . 2 . 2 35 35 GLY H H 1 8.819 . . . . . . . B 35 GLY H 1 31125 1 588 . 2 . 2 35 35 GLY C C 13 174.745 . . . . . . . B 35 GLY C 1 31125 1 589 . 2 . 2 35 35 GLY CA C 13 47.706 . . . . . . . B 35 GLY CA 1 31125 1 590 . 2 . 2 35 35 GLY N N 15 105.622 . . . . . . . B 35 GLY N 1 31125 1 591 . 2 . 2 36 36 THR H H 1 8.268 . . . . . . . B 36 THR H 1 31125 1 592 . 2 . 2 36 36 THR C C 13 175.481 . . . . . . . B 36 THR C 1 31125 1 593 . 2 . 2 36 36 THR CA C 13 68.555 . . . . . . . B 36 THR CA 1 31125 1 594 . 2 . 2 36 36 THR CB C 13 69 . . . . . . . B 36 THR CB 2 31125 1 595 . 2 . 2 36 36 THR N N 15 121.511 . . . . . . . B 36 THR N 1 31125 1 596 . 2 . 2 37 37 ILE H H 1 7.476 . . . . . . . B 37 ILE H 1 31125 1 597 . 2 . 2 37 37 ILE C C 13 178.368 . . . . . . . B 37 ILE C 1 31125 1 598 . 2 . 2 37 37 ILE CA C 13 65.132 . . . . . . . B 37 ILE CA 1 31125 1 599 . 2 . 2 37 37 ILE CB C 13 38.71 . . . . . . . B 37 ILE CB 2 31125 1 600 . 2 . 2 37 37 ILE N N 15 119.721 . . . . . . . B 37 ILE N 1 31125 1 601 . 2 . 2 38 38 ILE H H 1 8.388 . . . . . . . B 38 ILE H 1 31125 1 602 . 2 . 2 38 38 ILE C C 13 177.797 . . . . . . . B 38 ILE C 1 31125 1 603 . 2 . 2 38 38 ILE CA C 13 65.676 . . . . . . . B 38 ILE CA 1 31125 1 604 . 2 . 2 38 38 ILE CB C 13 37.85 . . . . . . . B 38 ILE CB 2 31125 1 605 . 2 . 2 38 38 ILE N N 15 119.456 . . . . . . . B 38 ILE N 1 31125 1 606 . 2 . 2 39 39 CYS H H 1 8.283 . . . . . . . B 39 CYS H 1 31125 1 607 . 2 . 2 39 39 CYS C C 13 177.641 . . . . . . . B 39 CYS C 1 31125 1 608 . 2 . 2 39 39 CYS CA C 13 65.105 . . . . . . . B 39 CYS CA 1 31125 1 609 . 2 . 2 39 39 CYS CB C 13 26.47 . . . . . . . B 39 CYS CB 2 31125 1 610 . 2 . 2 39 39 CYS N N 15 116.68 . . . . . . . B 39 CYS N 1 31125 1 611 . 2 . 2 40 40 TYR H H 1 8.571 . . . . . . . B 40 TYR H 1 31125 1 612 . 2 . 2 40 40 TYR C C 13 178.325 . . . . . . . B 40 TYR C 1 31125 1 613 . 2 . 2 40 40 TYR CA C 13 60.798 . . . . . . . B 40 TYR CA 1 31125 1 614 . 2 . 2 40 40 TYR N N 15 119.23 . . . . . . . B 40 TYR N 1 31125 1 615 . 2 . 2 41 41 CYS H H 1 8.594 . . . . . . . B 41 CYS H 1 31125 1 616 . 2 . 2 41 41 CYS C C 13 176.665 . . . . . . . B 41 CYS C 1 31125 1 617 . 2 . 2 41 41 CYS CA C 13 64.924 . . . . . . . B 41 CYS CA 1 31125 1 618 . 2 . 2 41 41 CYS CB C 13 26.88 . . . . . . . B 41 CYS CB 2 31125 1 619 . 2 . 2 41 41 CYS N N 15 118.155 . . . . . . . B 41 CYS N 1 31125 1 620 . 2 . 2 42 42 ALA H H 1 8.317 . . . . . . . B 42 ALA H 1 31125 1 621 . 2 . 2 42 42 ALA C C 13 178.504 . . . . . . . B 42 ALA C 1 31125 1 622 . 2 . 2 42 42 ALA CA C 13 54.873 . . . . . . . B 42 ALA CA 1 31125 1 623 . 2 . 2 42 42 ALA CB C 13 17.66 . . . . . . . B 42 ALA CB 2 31125 1 624 . 2 . 2 42 42 ALA N N 15 120.027 . . . . . . . B 42 ALA N 1 31125 1 625 . 2 . 2 43 43 SER H H 1 8.474 . . . . . . . B 43 SER H 1 31125 1 626 . 2 . 2 43 43 SER C C 13 177.75 . . . . . . . B 43 SER C 1 31125 1 627 . 2 . 2 43 43 SER CA C 13 62.919 . . . . . . . B 43 SER CA 1 31125 1 628 . 2 . 2 43 43 SER CB C 13 65.08 . . . . . . . B 43 SER CB 2 31125 1 629 . 2 . 2 43 43 SER N N 15 111.933 . . . . . . . B 43 SER N 1 31125 1 630 . 2 . 2 44 44 PHE H H 1 8.518 . . . . . . . B 44 PHE H 1 31125 1 631 . 2 . 2 44 44 PHE C C 13 178.2 . . . . . . . B 44 PHE C 2 31125 1 632 . 2 . 2 44 44 PHE CA C 13 63.026 . . . . . . . B 44 PHE CA 1 31125 1 633 . 2 . 2 44 44 PHE CB C 13 38.57 . . . . . . . B 44 PHE CB 2 31125 1 634 . 2 . 2 44 44 PHE N N 15 121.668 . . . . . . . B 44 PHE N 1 31125 1 635 . 2 . 2 45 45 TRP H H 1 9.316 . . . . . . . B 45 TRP H 1 31125 1 636 . 2 . 2 45 45 TRP C C 13 178.17 . . . . . . . B 45 TRP C 1 31125 1 637 . 2 . 2 45 45 TRP CA C 13 61.623 . . . . . . . B 45 TRP CA 1 31125 1 638 . 2 . 2 45 45 TRP N N 15 119.085 . . . . . . . B 45 TRP N 1 31125 1 639 . 2 . 2 46 46 LEU H H 1 8.028 . . . . . . . B 46 LEU H 1 31125 1 640 . 2 . 2 46 46 LEU C C 13 179.3 . . . . . . . B 46 LEU C 2 31125 1 641 . 2 . 2 46 46 LEU CA C 13 57.386 . . . . . . . B 46 LEU CA 1 31125 1 642 . 2 . 2 46 46 LEU CB C 13 41.37 . . . . . . . B 46 LEU CB 2 31125 1 643 . 2 . 2 46 46 LEU N N 15 120.288 . . . . . . . B 46 LEU N 1 31125 1 644 . 2 . 2 47 47 LEU H H 1 8.641 . . . . . . . B 47 LEU H 1 31125 1 645 . 2 . 2 47 47 LEU C C 13 180.4 . . . . . . . B 47 LEU C 2 31125 1 646 . 2 . 2 47 47 LEU CA C 13 57.201 . . . . . . . B 47 LEU CA 1 31125 1 647 . 2 . 2 47 47 LEU CB C 13 42.58 . . . . . . . B 47 LEU CB 2 31125 1 648 . 2 . 2 47 47 LEU N N 15 121.012 . . . . . . . B 47 LEU N 1 31125 1 649 . 2 . 2 48 48 ALA H H 1 8.832 . . . . . . . B 48 ALA H 1 31125 1 650 . 2 . 2 48 48 ALA C C 13 180.478 . . . . . . . B 48 ALA C 1 31125 1 651 . 2 . 2 48 48 ALA CA C 13 54.73 . . . . . . . B 48 ALA CA 1 31125 1 652 . 2 . 2 48 48 ALA CB C 13 18.62 . . . . . . . B 48 ALA CB 2 31125 1 653 . 2 . 2 48 48 ALA N N 15 121.494 . . . . . . . B 48 ALA N 1 31125 1 654 . 2 . 2 49 49 GLN H H 1 7.324 . . . . . . . B 49 GLN H 1 31125 1 655 . 2 . 2 49 49 GLN C C 13 177.5 . . . . . . . B 49 GLN C 2 31125 1 656 . 2 . 2 49 49 GLN CA C 13 55.947 . . . . . . . B 49 GLN CA 1 31125 1 657 . 2 . 2 49 49 GLN CB C 13 25.69 . . . . . . . B 49 GLN CB 2 31125 1 658 . 2 . 2 49 49 GLN N N 15 114.873 . . . . . . . B 49 GLN N 1 31125 1 659 . 2 . 2 50 50 THR C C 13 177.4 . . . . . . . B 50 THR C 2 31125 1 660 . 2 . 2 50 50 THR CA C 13 63.61 . . . . . . . B 50 THR CA 2 31125 1 661 . 2 . 2 50 50 THR CB C 13 69.89 . . . . . . . B 50 THR CB 2 31125 1 662 . 2 . 2 50 50 THR N N 15 106.4 . . . . . . . B 50 THR N 2 31125 1 663 . 2 . 2 51 51 LEU C C 13 177.009 . . . . . . . B 51 LEU C 1 31125 1 664 . 2 . 2 51 51 LEU CA C 13 55.84 . . . . . . . B 51 LEU CA 2 31125 1 665 . 2 . 2 51 51 LEU CB C 13 38.65 . . . . . . . B 51 LEU CB 2 31125 1 666 . 2 . 2 51 51 LEU N N 15 117.8 . . . . . . . B 51 LEU N 2 31125 1 667 . 2 . 2 52 52 ALA H H 1 7.081 . . . . . . . B 52 ALA H 1 31125 1 668 . 2 . 2 52 52 ALA C C 13 177.15 . . . . . . . B 52 ALA C 1 31125 1 669 . 2 . 2 52 52 ALA CA C 13 52.441 . . . . . . . B 52 ALA CA 1 31125 1 670 . 2 . 2 52 52 ALA CB C 13 18 . . . . . . . B 52 ALA CB 2 31125 1 671 . 2 . 2 52 52 ALA N N 15 120.204 . . . . . . . B 52 ALA N 1 31125 1 672 . 2 . 2 53 53 TYR H H 1 7.591 . . . . . . . B 53 TYR H 1 31125 1 673 . 2 . 2 53 53 TYR CA C 13 58.072 . . . . . . . B 53 TYR CA 1 31125 1 674 . 2 . 2 53 53 TYR N N 15 113.659 . . . . . . . B 53 TYR N 1 31125 1 675 . 2 . 2 54 54 ILE C C 13 173.9 . . . . . . . B 54 ILE C 2 31125 1 676 . 2 . 2 54 54 ILE CA C 13 57.92 . . . . . . . B 54 ILE CA 2 31125 1 677 . 2 . 2 54 54 ILE CB C 13 41.27 . . . . . . . B 54 ILE CB 2 31125 1 678 . 2 . 2 54 54 ILE N N 15 120.4 . . . . . . . B 54 ILE N 2 31125 1 679 . 2 . 2 55 55 PRO C C 13 177 . . . . . . . B 55 PRO C 2 31125 1 680 . 2 . 2 55 55 PRO CA C 13 63.46 . . . . . . . B 55 PRO CA 2 31125 1 681 . 2 . 2 55 55 PRO CB C 13 33.14 . . . . . . . B 55 PRO CB 2 31125 1 682 . 2 . 2 55 55 PRO N N 15 103.6 . . . . . . . B 55 PRO N 2 31125 1 683 . 2 . 2 56 56 THR H H 1 9.081 . . . . . . . B 56 THR H 1 31125 1 684 . 2 . 2 56 56 THR C C 13 176.022 . . . . . . . B 56 THR C 1 31125 1 685 . 2 . 2 56 56 THR CA C 13 67.585 . . . . . . . B 56 THR CA 1 31125 1 686 . 2 . 2 56 56 THR CB C 13 68.85 . . . . . . . B 56 THR CB 2 31125 1 687 . 2 . 2 56 56 THR N N 15 124.273 . . . . . . . B 56 THR N 1 31125 1 688 . 2 . 2 57 57 GLY H H 1 9.954 . . . . . . . B 57 GLY H 1 31125 1 689 . 2 . 2 57 57 GLY C C 13 176.1 . . . . . . . B 57 GLY C 2 31125 1 690 . 2 . 2 57 57 GLY CA C 13 46.95 . . . . . . . B 57 GLY CA 2 31125 1 691 . 2 . 2 57 57 GLY N N 15 107.153 . . . . . . . B 57 GLY N 1 31125 1 692 . 2 . 2 58 58 ILE H H 1 6.473 . . . . . . . B 58 ILE H 1 31125 1 693 . 2 . 2 58 58 ILE C C 13 177.171 . . . . . . . B 58 ILE C 1 31125 1 694 . 2 . 2 58 58 ILE CA C 13 63.447 . . . . . . . B 58 ILE CA 1 31125 1 695 . 2 . 2 58 58 ILE N N 15 118.29 . . . . . . . B 58 ILE N 1 31125 1 696 . 2 . 2 59 59 ALA H H 1 8.306 . . . . . . . B 59 ALA H 1 31125 1 697 . 2 . 2 59 59 ALA C C 13 179.041 . . . . . . . B 59 ALA C 1 31125 1 698 . 2 . 2 59 59 ALA CA C 13 55.219 . . . . . . . B 59 ALA CA 1 31125 1 699 . 2 . 2 59 59 ALA CB C 13 17.98 . . . . . . . B 59 ALA CB 2 31125 1 700 . 2 . 2 59 59 ALA N N 15 122.283 . . . . . . . B 59 ALA N 1 31125 1 701 . 2 . 2 60 60 TYR H H 1 8.444 . . . . . . . B 60 TYR H 1 31125 1 702 . 2 . 2 60 60 TYR C C 13 178.9 . . . . . . . B 60 TYR C 2 31125 1 703 . 2 . 2 60 60 TYR CA C 13 62.515 . . . . . . . B 60 TYR CA 1 31125 1 704 . 2 . 2 60 60 TYR CB C 13 39.21 . . . . . . . B 60 TYR CB 2 31125 1 705 . 2 . 2 60 60 TYR N N 15 116.588 . . . . . . . B 60 TYR N 1 31125 1 706 . 2 . 2 61 61 ALA H H 1 8.213 . . . . . . . B 61 ALA H 1 31125 1 707 . 2 . 2 61 61 ALA C C 13 179.615 . . . . . . . B 61 ALA C 1 31125 1 708 . 2 . 2 61 61 ALA CA C 13 54.677 . . . . . . . B 61 ALA CA 1 31125 1 709 . 2 . 2 61 61 ALA CB C 13 17.96 . . . . . . . B 61 ALA CB 2 31125 1 710 . 2 . 2 61 61 ALA N N 15 122.19 . . . . . . . B 61 ALA N 1 31125 1 711 . 2 . 2 62 62 ILE H H 1 8.52 . . . . . . . B 62 ILE H 1 31125 1 712 . 2 . 2 62 62 ILE C C 13 177.344 . . . . . . . B 62 ILE C 1 31125 1 713 . 2 . 2 62 62 ILE CA C 13 66.066 . . . . . . . B 62 ILE CA 1 31125 1 714 . 2 . 2 62 62 ILE CB C 13 37.92 . . . . . . . B 62 ILE CB 2 31125 1 715 . 2 . 2 62 62 ILE N N 15 118.118 . . . . . . . B 62 ILE N 1 31125 1 716 . 2 . 2 63 63 TRP H H 1 8.537 . . . . . . . B 63 TRP H 1 31125 1 717 . 2 . 2 63 63 TRP C C 13 180.4 . . . . . . . B 63 TRP C 2 31125 1 718 . 2 . 2 63 63 TRP CA C 13 60.844 . . . . . . . B 63 TRP CA 1 31125 1 719 . 2 . 2 63 63 TRP N N 15 121.218 . . . . . . . B 63 TRP N 1 31125 1 720 . 2 . 2 64 64 SER H H 1 8.51 . . . . . . . B 64 SER H 1 31125 1 721 . 2 . 2 64 64 SER C C 13 177.4 . . . . . . . B 64 SER C 2 31125 1 722 . 2 . 2 64 64 SER CA C 13 60.436 . . . . . . . B 64 SER CA 1 31125 1 723 . 2 . 2 64 64 SER CB C 13 63.99 . . . . . . . B 64 SER CB 2 31125 1 724 . 2 . 2 64 64 SER N N 15 116.39 . . . . . . . B 64 SER N 1 31125 1 725 . 2 . 2 65 65 GLY H H 1 8.686 . . . . . . . B 65 GLY H 1 31125 1 726 . 2 . 2 65 65 GLY C C 13 174.6 . . . . . . . B 65 GLY C 2 31125 1 727 . 2 . 2 65 65 GLY CA C 13 46.78 . . . . . . . B 65 GLY CA 2 31125 1 728 . 2 . 2 65 65 GLY N N 15 108.383 . . . . . . . B 65 GLY N 1 31125 1 729 . 2 . 2 66 66 VAL H H 1 8.944 . . . . . . . B 66 VAL H 1 31125 1 730 . 2 . 2 66 66 VAL C C 13 177.995 . . . . . . . B 66 VAL C 1 31125 1 731 . 2 . 2 66 66 VAL CA C 13 66.231 . . . . . . . B 66 VAL CA 1 31125 1 732 . 2 . 2 66 66 VAL CB C 13 29.89 . . . . . . . B 66 VAL CB 2 31125 1 733 . 2 . 2 66 66 VAL N N 15 120.193 . . . . . . . B 66 VAL N 1 31125 1 734 . 2 . 2 67 67 GLY H H 1 6.956 . . . . . . . B 67 GLY H 1 31125 1 735 . 2 . 2 67 67 GLY C C 13 174.497 . . . . . . . B 67 GLY C 1 31125 1 736 . 2 . 2 67 67 GLY CA C 13 47.232 . . . . . . . B 67 GLY CA 1 31125 1 737 . 2 . 2 67 67 GLY N N 15 106.163 . . . . . . . B 67 GLY N 1 31125 1 738 . 2 . 2 68 68 ILE H H 1 7.567 . . . . . . . B 68 ILE H 1 31125 1 739 . 2 . 2 68 68 ILE C C 13 178.5 . . . . . . . B 68 ILE C 2 31125 1 740 . 2 . 2 68 68 ILE CA C 13 63.293 . . . . . . . B 68 ILE CA 1 31125 1 741 . 2 . 2 68 68 ILE CB C 13 37.98 . . . . . . . B 68 ILE CB 2 31125 1 742 . 2 . 2 68 68 ILE N N 15 120.523 . . . . . . . B 68 ILE N 1 31125 1 743 . 2 . 2 69 69 VAL H H 1 7.697 . . . . . . . B 69 VAL H 1 31125 1 744 . 2 . 2 69 69 VAL C C 13 177.173 . . . . . . . B 69 VAL C 1 31125 1 745 . 2 . 2 69 69 VAL CA C 13 66.954 . . . . . . . B 69 VAL CA 1 31125 1 746 . 2 . 2 69 69 VAL CB C 13 31.68 . . . . . . . B 69 VAL CB 2 31125 1 747 . 2 . 2 69 69 VAL N N 15 123.38 . . . . . . . B 69 VAL N 1 31125 1 748 . 2 . 2 70 70 LEU H H 1 8.185 . . . . . . . B 70 LEU H 1 31125 1 749 . 2 . 2 70 70 LEU C C 13 179.028 . . . . . . . B 70 LEU C 1 31125 1 750 . 2 . 2 70 70 LEU CA C 13 57.839 . . . . . . . B 70 LEU CA 1 31125 1 751 . 2 . 2 70 70 LEU CB C 13 41.77 . . . . . . . B 70 LEU CB 2 31125 1 752 . 2 . 2 70 70 LEU N N 15 117.79 . . . . . . . B 70 LEU N 1 31125 1 753 . 2 . 2 71 71 ILE H H 1 8.539 . . . . . . . B 71 ILE H 1 31125 1 754 . 2 . 2 71 71 ILE C C 13 178.62 . . . . . . . B 71 ILE C 1 31125 1 755 . 2 . 2 71 71 ILE CA C 13 64.409 . . . . . . . B 71 ILE CA 1 31125 1 756 . 2 . 2 71 71 ILE CB C 13 38.88 . . . . . . . B 71 ILE CB 2 31125 1 757 . 2 . 2 71 71 ILE N N 15 119.525 . . . . . . . B 71 ILE N 1 31125 1 758 . 2 . 2 72 72 SER H H 1 8.006 . . . . . . . B 72 SER H 1 31125 1 759 . 2 . 2 72 72 SER C C 13 173.9 . . . . . . . B 72 SER C 2 31125 1 760 . 2 . 2 72 72 SER CA C 13 62.905 . . . . . . . B 72 SER CA 1 31125 1 761 . 2 . 2 72 72 SER CB C 13 65.56 . . . . . . . B 72 SER CB 2 31125 1 762 . 2 . 2 72 72 SER N N 15 119.277 . . . . . . . B 72 SER N 1 31125 1 763 . 2 . 2 73 73 LEU C C 13 179.382 . . . . . . . B 73 LEU C 1 31125 1 764 . 2 . 2 74 74 LEU H H 1 8.646 . . . . . . . B 74 LEU H 1 31125 1 765 . 2 . 2 74 74 LEU C C 13 179.262 . . . . . . . B 74 LEU C 1 31125 1 766 . 2 . 2 74 74 LEU CA C 13 57.93 . . . . . . . B 74 LEU CA 1 31125 1 767 . 2 . 2 74 74 LEU N N 15 120.244 . . . . . . . B 74 LEU N 1 31125 1 768 . 2 . 2 75 75 SER H H 1 8.491 . . . . . . . B 75 SER H 1 31125 1 769 . 2 . 2 75 75 SER CA C 13 62.139 . . . . . . . B 75 SER CA 1 31125 1 770 . 2 . 2 75 75 SER N N 15 117.209 . . . . . . . B 75 SER N 1 31125 1 771 . 2 . 2 76 76 TRP H H 1 7.802 . . . . . . . B 76 TRP H 1 31125 1 772 . 2 . 2 76 76 TRP C C 13 178.04 . . . . . . . B 76 TRP C 1 31125 1 773 . 2 . 2 76 76 TRP CA C 13 59.014 . . . . . . . B 76 TRP CA 1 31125 1 774 . 2 . 2 76 76 TRP N N 15 124.539 . . . . . . . B 76 TRP N 1 31125 1 775 . 2 . 2 77 77 GLY H H 1 8.741 . . . . . . . B 77 GLY H 1 31125 1 776 . 2 . 2 77 77 GLY C C 13 173.667 . . . . . . . B 77 GLY C 1 31125 1 777 . 2 . 2 77 77 GLY N N 15 105.608 . . . . . . . B 77 GLY N 1 31125 1 778 . 2 . 2 78 78 PHE H H 1 8.212 . . . . . . . B 78 PHE H 1 31125 1 779 . 2 . 2 78 78 PHE CA C 13 58.412 . . . . . . . B 78 PHE CA 1 31125 1 780 . 2 . 2 78 78 PHE N N 15 113.784 . . . . . . . B 78 PHE N 1 31125 1 781 . 2 . 2 79 79 PHE H H 1 7.184 . . . . . . . B 79 PHE H 1 31125 1 782 . 2 . 2 79 79 PHE C C 13 176.894 . . . . . . . B 79 PHE C 1 31125 1 783 . 2 . 2 79 79 PHE CA C 13 56.794 . . . . . . . B 79 PHE CA 1 31125 1 784 . 2 . 2 79 79 PHE N N 15 114.379 . . . . . . . B 79 PHE N 1 31125 1 785 . 2 . 2 80 80 GLY H H 1 7.922 . . . . . . . B 80 GLY H 1 31125 1 786 . 2 . 2 80 80 GLY C C 13 174.717 . . . . . . . B 80 GLY C 1 31125 1 787 . 2 . 2 80 80 GLY N N 15 109.145 . . . . . . . B 80 GLY N 1 31125 1 788 . 2 . 2 81 81 GLN H H 1 7.747 . . . . . . . B 81 GLN H 1 31125 1 789 . 2 . 2 81 81 GLN C C 13 174.965 . . . . . . . B 81 GLN C 1 31125 1 790 . 2 . 2 81 81 GLN CA C 13 54.911 . . . . . . . B 81 GLN CA 1 31125 1 791 . 2 . 2 81 81 GLN N N 15 120.464 . . . . . . . B 81 GLN N 1 31125 1 792 . 2 . 2 82 82 ARG H H 1 8.262 . . . . . . . B 82 ARG H 1 31125 1 793 . 2 . 2 82 82 ARG C C 13 176.603 . . . . . . . B 82 ARG C 1 31125 1 794 . 2 . 2 82 82 ARG CA C 13 55.738 . . . . . . . B 82 ARG CA 1 31125 1 795 . 2 . 2 82 82 ARG N N 15 124.081 . . . . . . . B 82 ARG N 1 31125 1 796 . 2 . 2 83 83 LEU H H 1 8.139 . . . . . . . B 83 LEU H 1 31125 1 797 . 2 . 2 83 83 LEU C C 13 174.652 . . . . . . . B 83 LEU C 1 31125 1 798 . 2 . 2 83 83 LEU CA C 13 53.757 . . . . . . . B 83 LEU CA 1 31125 1 799 . 2 . 2 83 83 LEU N N 15 124.6 . . . . . . . B 83 LEU N 1 31125 1 800 . 2 . 2 84 84 ASP H H 1 7.488 . . . . . . . B 84 ASP H 1 31125 1 801 . 2 . 2 84 84 ASP C C 13 175.419 . . . . . . . B 84 ASP C 1 31125 1 802 . 2 . 2 84 84 ASP CA C 13 51.094 . . . . . . . B 84 ASP CA 1 31125 1 803 . 2 . 2 84 84 ASP CB C 13 41.48 . . . . . . . B 84 ASP CB 2 31125 1 804 . 2 . 2 84 84 ASP N N 15 120.846 . . . . . . . B 84 ASP N 1 31125 1 805 . 2 . 2 85 85 LEU H H 1 8.711 . . . . . . . B 85 LEU H 1 31125 1 806 . 2 . 2 85 85 LEU C C 13 175.9 . . . . . . . B 85 LEU C 2 31125 1 807 . 2 . 2 85 85 LEU CA C 13 59.302 . . . . . . . B 85 LEU CA 1 31125 1 808 . 2 . 2 85 85 LEU CB C 13 38.65 . . . . . . . B 85 LEU CB 2 31125 1 809 . 2 . 2 85 85 LEU N N 15 118.952 . . . . . . . B 85 LEU N 1 31125 1 810 . 2 . 2 86 86 PRO C C 13 177.662 . . . . . . . B 86 PRO C 1 31125 1 811 . 2 . 2 86 86 PRO CA C 13 66.269 . . . . . . . B 86 PRO CA 1 31125 1 812 . 2 . 2 86 86 PRO CB C 13 31.54 . . . . . . . B 86 PRO CB 2 31125 1 813 . 2 . 2 86 86 PRO N N 15 133.4 . . . . . . . B 86 PRO N 2 31125 1 814 . 2 . 2 87 87 ALA H H 1 7.438 . . . . . . . B 87 ALA H 1 31125 1 815 . 2 . 2 87 87 ALA C C 13 179.334 . . . . . . . B 87 ALA C 1 31125 1 816 . 2 . 2 87 87 ALA CA C 13 55.219 . . . . . . . B 87 ALA CA 1 31125 1 817 . 2 . 2 87 87 ALA CB C 13 17.83 . . . . . . . B 87 ALA CB 2 31125 1 818 . 2 . 2 87 87 ALA N N 15 117.769 . . . . . . . B 87 ALA N 1 31125 1 819 . 2 . 2 88 88 ILE H H 1 7.905 . . . . . . . B 88 ILE H 1 31125 1 820 . 2 . 2 88 88 ILE C C 13 178.304 . . . . . . . B 88 ILE C 1 31125 1 821 . 2 . 2 88 88 ILE CA C 13 64.59 . . . . . . . B 88 ILE CA 1 31125 1 822 . 2 . 2 88 88 ILE N N 15 118.119 . . . . . . . B 88 ILE N 1 31125 1 823 . 2 . 2 89 89 ILE H H 1 8.646 . . . . . . . B 89 ILE H 1 31125 1 824 . 2 . 2 89 89 ILE C C 13 178.388 . . . . . . . B 89 ILE C 1 31125 1 825 . 2 . 2 89 89 ILE CA C 13 64.328 . . . . . . . B 89 ILE CA 1 31125 1 826 . 2 . 2 89 89 ILE CB C 13 37.75 . . . . . . . B 89 ILE CB 2 31125 1 827 . 2 . 2 89 89 ILE N N 15 119.514 . . . . . . . B 89 ILE N 1 31125 1 828 . 2 . 2 90 90 GLY H H 1 8.789 . . . . . . . B 90 GLY H 1 31125 1 829 . 2 . 2 90 90 GLY C C 13 175.391 . . . . . . . B 90 GLY C 1 31125 1 830 . 2 . 2 90 90 GLY CA C 13 47.592 . . . . . . . B 90 GLY CA 1 31125 1 831 . 2 . 2 90 90 GLY N N 15 107.482 . . . . . . . B 90 GLY N 1 31125 1 832 . 2 . 2 91 91 MET H H 1 8.5 . . . . . . . B 91 MET H 1 31125 1 833 . 2 . 2 91 91 MET C C 13 178.6 . . . . . . . B 91 MET C 2 31125 1 834 . 2 . 2 91 91 MET CA C 13 59.79 . . . . . . . B 91 MET CA 1 31125 1 835 . 2 . 2 91 91 MET CB C 13 33.23 . . . . . . . B 91 MET CB 2 31125 1 836 . 2 . 2 91 91 MET N N 15 119.944 . . . . . . . B 91 MET N 1 31125 1 837 . 2 . 2 94 94 ILE C C 13 177.7 . . . . . . . B 94 ILE C 2 31125 1 838 . 2 . 2 94 94 ILE CA C 13 65.56 . . . . . . . B 94 ILE CA 2 31125 1 839 . 2 . 2 94 94 ILE CB C 13 38.34 . . . . . . . B 94 ILE CB 2 31125 1 840 . 2 . 2 94 94 ILE N N 15 118 . . . . . . . B 94 ILE N 2 31125 1 841 . 2 . 2 95 95 CYS C C 13 174.958 . . . . . . . B 95 CYS C 1 31125 1 842 . 2 . 2 95 95 CYS CA C 13 64.48 . . . . . . . B 95 CYS CA 2 31125 1 843 . 2 . 2 95 95 CYS CB C 13 26.92 . . . . . . . B 95 CYS CB 2 31125 1 844 . 2 . 2 95 95 CYS N N 15 117.2 . . . . . . . B 95 CYS N 2 31125 1 845 . 2 . 2 96 96 ALA H H 1 8.224 . . . . . . . B 96 ALA H 1 31125 1 846 . 2 . 2 96 96 ALA C C 13 178.791 . . . . . . . B 96 ALA C 1 31125 1 847 . 2 . 2 96 96 ALA CA C 13 53.204 . . . . . . . B 96 ALA CA 1 31125 1 848 . 2 . 2 96 96 ALA CB C 13 18.3 . . . . . . . B 96 ALA CB 2 31125 1 849 . 2 . 2 96 96 ALA N N 15 119.101 . . . . . . . B 96 ALA N 1 31125 1 850 . 2 . 2 97 97 GLY H H 1 8.438 . . . . . . . B 97 GLY H 1 31125 1 851 . 2 . 2 97 97 GLY C C 13 175.1 . . . . . . . B 97 GLY C 2 31125 1 852 . 2 . 2 97 97 GLY CA C 13 49.2 . . . . . . . B 97 GLY CA 2 31125 1 853 . 2 . 2 97 97 GLY N N 15 105.784 . . . . . . . B 97 GLY N 1 31125 1 854 . 2 . 2 98 98 VAL C C 13 178 . . . . . . . B 98 VAL C 2 31125 1 855 . 2 . 2 98 98 VAL CA C 13 67.25 . . . . . . . B 98 VAL CA 2 31125 1 856 . 2 . 2 98 98 VAL CB C 13 31.62 . . . . . . . B 98 VAL CB 2 31125 1 857 . 2 . 2 98 98 VAL N N 15 120 . . . . . . . B 98 VAL N 2 31125 1 858 . 2 . 2 99 99 LEU C C 13 178.7 . . . . . . . B 99 LEU C 2 31125 1 859 . 2 . 2 99 99 LEU CA C 13 58.53 . . . . . . . B 99 LEU CA 2 31125 1 860 . 2 . 2 99 99 LEU CB C 13 40.82 . . . . . . . B 99 LEU CB 2 31125 1 861 . 2 . 2 99 99 LEU N N 15 119.2 . . . . . . . B 99 LEU N 2 31125 1 862 . 2 . 2 100 100 ILE C C 13 178.2 . . . . . . . B 100 ILE C 2 31125 1 863 . 2 . 2 100 100 ILE CA C 13 65.52 . . . . . . . B 100 ILE CA 2 31125 1 864 . 2 . 2 100 100 ILE CB C 13 38.24 . . . . . . . B 100 ILE CB 2 31125 1 865 . 2 . 2 100 100 ILE N N 15 118.2 . . . . . . . B 100 ILE N 2 31125 1 866 . 2 . 2 101 101 ILE C C 13 178.1 . . . . . . . B 101 ILE C 2 31125 1 867 . 2 . 2 101 101 ILE CA C 13 65.73 . . . . . . . B 101 ILE CA 2 31125 1 868 . 2 . 2 101 101 ILE CB C 13 38.32 . . . . . . . B 101 ILE CB 2 31125 1 869 . 2 . 2 101 101 ILE N N 15 118.2 . . . . . . . B 101 ILE N 2 31125 1 870 . 2 . 2 102 102 ASN H H 1 8.184 . . . . . . . B 102 ASN H 1 31125 1 871 . 2 . 2 102 102 ASN C C 13 176.443 . . . . . . . B 102 ASN C 1 31125 1 872 . 2 . 2 102 102 ASN CA C 13 56.492 . . . . . . . B 102 ASN CA 1 31125 1 873 . 2 . 2 102 102 ASN CB C 13 38.74 . . . . . . . B 102 ASN CB 2 31125 1 874 . 2 . 2 102 102 ASN N N 15 115.682 . . . . . . . B 102 ASN N 1 31125 1 875 . 2 . 2 103 103 LEU H H 1 8.459 . . . . . . . B 103 LEU H 1 31125 1 876 . 2 . 2 103 103 LEU C C 13 178.286 . . . . . . . B 103 LEU C 1 31125 1 877 . 2 . 2 103 103 LEU CA C 13 56.162 . . . . . . . B 103 LEU CA 1 31125 1 878 . 2 . 2 103 103 LEU CB C 13 42.72 . . . . . . . B 103 LEU CB 2 31125 1 879 . 2 . 2 103 103 LEU N N 15 114.687 . . . . . . . B 103 LEU N 1 31125 1 880 . 2 . 2 104 104 LEU H H 1 7.799 . . . . . . . B 104 LEU H 1 31125 1 881 . 2 . 2 104 104 LEU C C 13 176.996 . . . . . . . B 104 LEU C 1 31125 1 882 . 2 . 2 104 104 LEU CA C 13 54.68 . . . . . . . B 104 LEU CA 1 31125 1 883 . 2 . 2 104 104 LEU CB C 13 45.18 . . . . . . . B 104 LEU CB 2 31125 1 884 . 2 . 2 104 104 LEU N N 15 114.492 . . . . . . . B 104 LEU N 1 31125 1 885 . 2 . 2 105 105 SER H H 1 7.488 . . . . . . . B 105 SER H 1 31125 1 886 . 2 . 2 105 105 SER C C 13 176 . . . . . . . B 105 SER C 2 31125 1 887 . 2 . 2 105 105 SER CA C 13 57.955 . . . . . . . B 105 SER CA 1 31125 1 888 . 2 . 2 105 105 SER CB C 13 64.29 . . . . . . . B 105 SER CB 2 31125 1 889 . 2 . 2 105 105 SER N N 15 112.106 . . . . . . . B 105 SER N 1 31125 1 890 . 2 . 2 106 106 ARG H H 1 10.039 . . . . . . . B 106 ARG H 1 31125 1 891 . 2 . 2 106 106 ARG C C 13 177.072 . . . . . . . B 106 ARG C 1 31125 1 892 . 2 . 2 106 106 ARG CA C 13 54.795 . . . . . . . B 106 ARG CA 1 31125 1 893 . 2 . 2 106 106 ARG CB C 13 31.19 . . . . . . . B 106 ARG CB 2 31125 1 894 . 2 . 2 106 106 ARG N N 15 129.137 . . . . . . . B 106 ARG N 1 31125 1 895 . 2 . 2 107 107 SER H H 1 8.434 . . . . . . . B 107 SER H 1 31125 1 896 . 2 . 2 107 107 SER C C 13 173.415 . . . . . . . B 107 SER C 1 31125 1 897 . 2 . 2 107 107 SER CA C 13 59.82 . . . . . . . B 107 SER CA 1 31125 1 898 . 2 . 2 107 107 SER CB C 13 63.16 . . . . . . . B 107 SER CB 2 31125 1 899 . 2 . 2 107 107 SER N N 15 117.791 . . . . . . . B 107 SER N 1 31125 1 900 . 2 . 2 108 108 THR H H 1 7.645 . . . . . . . B 108 THR H 1 31125 1 901 . 2 . 2 108 108 THR CA C 13 58.131 . . . . . . . B 108 THR CA 1 31125 1 902 . 2 . 2 108 108 THR N N 15 114.304 . . . . . . . B 108 THR N 1 31125 1 903 . 2 . 2 109 109 PRO C C 13 175.834 . . . . . . . B 109 PRO C 1 31125 1 904 . 2 . 2 109 109 PRO CA C 13 63.01 . . . . . . . B 109 PRO CA 1 31125 1 905 . 2 . 2 110 110 HIS H H 1 7.94 . . . . . . . B 110 HIS H 1 31125 1 906 . 2 . 2 110 110 HIS CA C 13 56.546 . . . . . . . B 110 HIS CA 1 31125 1 907 . 2 . 2 110 110 HIS N N 15 123.833 . . . . . . . B 110 HIS N 1 31125 1 stop_ save_