data_27547 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27547 _Entry.Title ; Backbone chemical shift assignments of H2A in H2A-H2B dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-17 _Entry.Accession_date 2018-07-17 _Entry.Last_release_date 2018-07-17 _Entry.Original_release_date 2018-07-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'assignment of H2A in Drosophila Melangaster H2A/H2B dimers' _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 Hugo 'van Ingen' . . . . 27547 2 Jelmer Eerland . . . . 27547 3 Velten Horn . . . . 27547 4 Alma Svatos . . . . 27547 5 Heyi Zhang . . . . 27547 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Utrecht NMR Group' . 27547 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27547 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 342 27547 '15N chemical shifts' 115 27547 '1H chemical shifts' 115 27547 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 . . 2019-07-26 . original BMRB . 27547 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27187 'assignments of H2B in H2A/H2B dimer' 27547 BMRB 27346 'assignments of H2A in the nucleosome' 27547 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27547 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30988309 _Citation.Full_citation . _Citation.Title ; Structural basis of specific H2A K13/K15 ubiquitination by RNF168. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1751 _Citation.Page_last 1751 _Citation.Year 2019 _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 Velten Horn . . . . 27547 1 2 Michael Uckelmann . . . . 27547 1 3 Heyi Zhang . . . . 27547 1 4 Jelmer Eerland . . . . 27547 1 5 Ivette Aarsman . . . . 27547 1 6 Ulric 'Le Paige' . . . . 27547 1 7 Chen Davidovich . . . . 27547 1 8 Titia Sixma . . . . 27547 1 9 Hugo 'van Ingen' . . . . 27547 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID histone 27547 1 nucleosome 27547 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27547 _Assembly.ID 1 _Assembly.Name 'H2A/H2B dimer' _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 'H2A, subunit 1' 1 $H2A A . yes native no no . . . 27547 1 2 'H2B, subunit 2' 2 $H2B B . no native no no . . . 27547 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H2A _Entity.Sf_category entity _Entity.Sf_framecode H2A _Entity.Entry_ID 27547 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H2A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SGRGKGGKVKGKAKSRSNRA GLQFPVGRIHRLLRKGNYAE RVGAGAPVYLAAVMEYLAAE VLELAGNAARDNKKTRIIPR HLQLAIRNDEELNKLLSGVT IAQGGVLPNIQAVLLPKKTE KKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . SER . 27547 1 2 . GLY . 27547 1 3 . ARG . 27547 1 4 . GLY . 27547 1 5 . LYS . 27547 1 6 . GLY . 27547 1 7 . GLY . 27547 1 8 . LYS . 27547 1 9 . VAL . 27547 1 10 . LYS . 27547 1 11 . GLY . 27547 1 12 . LYS . 27547 1 13 . ALA . 27547 1 14 . LYS . 27547 1 15 . SER . 27547 1 16 . ARG . 27547 1 17 . SER . 27547 1 18 . ASN . 27547 1 19 . ARG . 27547 1 20 . ALA . 27547 1 21 . GLY . 27547 1 22 . LEU . 27547 1 23 . GLN . 27547 1 24 . PHE . 27547 1 25 . PRO . 27547 1 26 . VAL . 27547 1 27 . GLY . 27547 1 28 . ARG . 27547 1 29 . ILE . 27547 1 30 . HIS . 27547 1 31 . ARG . 27547 1 32 . LEU . 27547 1 33 . LEU . 27547 1 34 . ARG . 27547 1 35 . LYS . 27547 1 36 . GLY . 27547 1 37 . ASN . 27547 1 38 . TYR . 27547 1 39 . ALA . 27547 1 40 . GLU . 27547 1 41 . ARG . 27547 1 42 . VAL . 27547 1 43 . GLY . 27547 1 44 . ALA . 27547 1 45 . GLY . 27547 1 46 . ALA . 27547 1 47 . PRO . 27547 1 48 . VAL . 27547 1 49 . TYR . 27547 1 50 . LEU . 27547 1 51 . ALA . 27547 1 52 . ALA . 27547 1 53 . VAL . 27547 1 54 . MET . 27547 1 55 . GLU . 27547 1 56 . TYR . 27547 1 57 . LEU . 27547 1 58 . ALA . 27547 1 59 . ALA . 27547 1 60 . GLU . 27547 1 61 . VAL . 27547 1 62 . LEU . 27547 1 63 . GLU . 27547 1 64 . LEU . 27547 1 65 . ALA . 27547 1 66 . GLY . 27547 1 67 . ASN . 27547 1 68 . ALA . 27547 1 69 . ALA . 27547 1 70 . ARG . 27547 1 71 . ASP . 27547 1 72 . ASN . 27547 1 73 . LYS . 27547 1 74 . LYS . 27547 1 75 . THR . 27547 1 76 . ARG . 27547 1 77 . ILE . 27547 1 78 . ILE . 27547 1 79 . PRO . 27547 1 80 . ARG . 27547 1 81 . HIS . 27547 1 82 . LEU . 27547 1 83 . GLN . 27547 1 84 . LEU . 27547 1 85 . ALA . 27547 1 86 . ILE . 27547 1 87 . ARG . 27547 1 88 . ASN . 27547 1 89 . ASP . 27547 1 90 . GLU . 27547 1 91 . GLU . 27547 1 92 . LEU . 27547 1 93 . ASN . 27547 1 94 . LYS . 27547 1 95 . LEU . 27547 1 96 . LEU . 27547 1 97 . SER . 27547 1 98 . GLY . 27547 1 99 . VAL . 27547 1 100 . THR . 27547 1 101 . ILE . 27547 1 102 . ALA . 27547 1 103 . GLN . 27547 1 104 . GLY . 27547 1 105 . GLY . 27547 1 106 . VAL . 27547 1 107 . LEU . 27547 1 108 . PRO . 27547 1 109 . ASN . 27547 1 110 . ILE . 27547 1 111 . GLN . 27547 1 112 . ALA . 27547 1 113 . VAL . 27547 1 114 . LEU . 27547 1 115 . LEU . 27547 1 116 . PRO . 27547 1 117 . LYS . 27547 1 118 . LYS . 27547 1 119 . THR . 27547 1 120 . GLU . 27547 1 121 . LYS . 27547 1 122 . LYS . 27547 1 123 . ALA . 27547 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 . SER 1 1 27547 1 . GLY 2 2 27547 1 . ARG 3 3 27547 1 . GLY 4 4 27547 1 . LYS 5 5 27547 1 . GLY 6 6 27547 1 . GLY 7 7 27547 1 . LYS 8 8 27547 1 . VAL 9 9 27547 1 . LYS 10 10 27547 1 . GLY 11 11 27547 1 . LYS 12 12 27547 1 . ALA 13 13 27547 1 . LYS 14 14 27547 1 . SER 15 15 27547 1 . ARG 16 16 27547 1 . SER 17 17 27547 1 . ASN 18 18 27547 1 . ARG 19 19 27547 1 . ALA 20 20 27547 1 . GLY 21 21 27547 1 . LEU 22 22 27547 1 . GLN 23 23 27547 1 . PHE 24 24 27547 1 . PRO 25 25 27547 1 . VAL 26 26 27547 1 . GLY 27 27 27547 1 . ARG 28 28 27547 1 . ILE 29 29 27547 1 . HIS 30 30 27547 1 . ARG 31 31 27547 1 . LEU 32 32 27547 1 . LEU 33 33 27547 1 . ARG 34 34 27547 1 . LYS 35 35 27547 1 . GLY 36 36 27547 1 . ASN 37 37 27547 1 . TYR 38 38 27547 1 . ALA 39 39 27547 1 . GLU 40 40 27547 1 . ARG 41 41 27547 1 . VAL 42 42 27547 1 . GLY 43 43 27547 1 . ALA 44 44 27547 1 . GLY 45 45 27547 1 . ALA 46 46 27547 1 . PRO 47 47 27547 1 . VAL 48 48 27547 1 . TYR 49 49 27547 1 . LEU 50 50 27547 1 . ALA 51 51 27547 1 . ALA 52 52 27547 1 . VAL 53 53 27547 1 . MET 54 54 27547 1 . GLU 55 55 27547 1 . TYR 56 56 27547 1 . LEU 57 57 27547 1 . ALA 58 58 27547 1 . ALA 59 59 27547 1 . GLU 60 60 27547 1 . VAL 61 61 27547 1 . LEU 62 62 27547 1 . GLU 63 63 27547 1 . LEU 64 64 27547 1 . ALA 65 65 27547 1 . GLY 66 66 27547 1 . ASN 67 67 27547 1 . ALA 68 68 27547 1 . ALA 69 69 27547 1 . ARG 70 70 27547 1 . ASP 71 71 27547 1 . ASN 72 72 27547 1 . LYS 73 73 27547 1 . LYS 74 74 27547 1 . THR 75 75 27547 1 . ARG 76 76 27547 1 . ILE 77 77 27547 1 . ILE 78 78 27547 1 . PRO 79 79 27547 1 . ARG 80 80 27547 1 . HIS 81 81 27547 1 . LEU 82 82 27547 1 . GLN 83 83 27547 1 . LEU 84 84 27547 1 . ALA 85 85 27547 1 . ILE 86 86 27547 1 . ARG 87 87 27547 1 . ASN 88 88 27547 1 . ASP 89 89 27547 1 . GLU 90 90 27547 1 . GLU 91 91 27547 1 . LEU 92 92 27547 1 . ASN 93 93 27547 1 . LYS 94 94 27547 1 . LEU 95 95 27547 1 . LEU 96 96 27547 1 . SER 97 97 27547 1 . GLY 98 98 27547 1 . VAL 99 99 27547 1 . THR 100 100 27547 1 . ILE 101 101 27547 1 . ALA 102 102 27547 1 . GLN 103 103 27547 1 . GLY 104 104 27547 1 . GLY 105 105 27547 1 . VAL 106 106 27547 1 . LEU 107 107 27547 1 . PRO 108 108 27547 1 . ASN 109 109 27547 1 . ILE 110 110 27547 1 . GLN 111 111 27547 1 . ALA 112 112 27547 1 . VAL 113 113 27547 1 . LEU 114 114 27547 1 . LEU 115 115 27547 1 . PRO 116 116 27547 1 . LYS 117 117 27547 1 . LYS 118 118 27547 1 . THR 119 119 27547 1 . GLU 120 120 27547 1 . LYS 121 121 27547 1 . LYS 122 122 27547 1 . ALA 123 123 27547 1 stop_ save_ save_H2B _Entity.Sf_category entity _Entity.Sf_framecode H2B _Entity.Entry_ID 27547 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name H2B _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; IPPKTSGKAAKKAGKAQKNI TKTDKKKKRKRKESYAIYIY KVLKQVHPDTGISSKAMSIM NSFVNDIFERIAAEASRLAH YNKRSTITSREIQTAVRLLL PGELAKHAVSEGTKAVTKYT SSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . ILE . 27547 2 2 . PRO . 27547 2 3 . PRO . 27547 2 4 . LYS . 27547 2 5 . THR . 27547 2 6 . SER . 27547 2 7 . GLY . 27547 2 8 . LYS . 27547 2 9 . ALA . 27547 2 10 . ALA . 27547 2 11 . LYS . 27547 2 12 . LYS . 27547 2 13 . ALA . 27547 2 14 . GLY . 27547 2 15 . LYS . 27547 2 16 . ALA . 27547 2 17 . GLN . 27547 2 18 . LYS . 27547 2 19 . ASN . 27547 2 20 . ILE . 27547 2 21 . THR . 27547 2 22 . LYS . 27547 2 23 . THR . 27547 2 24 . ASP . 27547 2 25 . LYS . 27547 2 26 . LYS . 27547 2 27 . LYS . 27547 2 28 . LYS . 27547 2 29 . ARG . 27547 2 30 . LYS . 27547 2 31 . ARG . 27547 2 32 . LYS . 27547 2 33 . GLU . 27547 2 34 . SER . 27547 2 35 . TYR . 27547 2 36 . ALA . 27547 2 37 . ILE . 27547 2 38 . TYR . 27547 2 39 . ILE . 27547 2 40 . TYR . 27547 2 41 . LYS . 27547 2 42 . VAL . 27547 2 43 . LEU . 27547 2 44 . LYS . 27547 2 45 . GLN . 27547 2 46 . VAL . 27547 2 47 . HIS . 27547 2 48 . PRO . 27547 2 49 . ASP . 27547 2 50 . THR . 27547 2 51 . GLY . 27547 2 52 . ILE . 27547 2 53 . SER . 27547 2 54 . SER . 27547 2 55 . LYS . 27547 2 56 . ALA . 27547 2 57 . MET . 27547 2 58 . SER . 27547 2 59 . ILE . 27547 2 60 . MET . 27547 2 61 . ASN . 27547 2 62 . SER . 27547 2 63 . PHE . 27547 2 64 . VAL . 27547 2 65 . ASN . 27547 2 66 . ASP . 27547 2 67 . ILE . 27547 2 68 . PHE . 27547 2 69 . GLU . 27547 2 70 . ARG . 27547 2 71 . ILE . 27547 2 72 . ALA . 27547 2 73 . ALA . 27547 2 74 . GLU . 27547 2 75 . ALA . 27547 2 76 . SER . 27547 2 77 . ARG . 27547 2 78 . LEU . 27547 2 79 . ALA . 27547 2 80 . HIS . 27547 2 81 . TYR . 27547 2 82 . ASN . 27547 2 83 . LYS . 27547 2 84 . ARG . 27547 2 85 . SER . 27547 2 86 . THR . 27547 2 87 . ILE . 27547 2 88 . THR . 27547 2 89 . SER . 27547 2 90 . ARG . 27547 2 91 . GLU . 27547 2 92 . ILE . 27547 2 93 . GLN . 27547 2 94 . THR . 27547 2 95 . ALA . 27547 2 96 . VAL . 27547 2 97 . ARG . 27547 2 98 . LEU . 27547 2 99 . LEU . 27547 2 100 . LEU . 27547 2 101 . PRO . 27547 2 102 . GLY . 27547 2 103 . GLU . 27547 2 104 . LEU . 27547 2 105 . ALA . 27547 2 106 . LYS . 27547 2 107 . HIS . 27547 2 108 . ALA . 27547 2 109 . VAL . 27547 2 110 . SER . 27547 2 111 . GLU . 27547 2 112 . GLY . 27547 2 113 . THR . 27547 2 114 . LYS . 27547 2 115 . ALA . 27547 2 116 . VAL . 27547 2 117 . THR . 27547 2 118 . LYS . 27547 2 119 . TYR . 27547 2 120 . THR . 27547 2 121 . SER . 27547 2 122 . SER . 27547 2 123 . LYS . 27547 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 . ILE 1 1 27547 2 . PRO 2 2 27547 2 . PRO 3 3 27547 2 . LYS 4 4 27547 2 . THR 5 5 27547 2 . SER 6 6 27547 2 . GLY 7 7 27547 2 . LYS 8 8 27547 2 . ALA 9 9 27547 2 . ALA 10 10 27547 2 . LYS 11 11 27547 2 . LYS 12 12 27547 2 . ALA 13 13 27547 2 . GLY 14 14 27547 2 . LYS 15 15 27547 2 . ALA 16 16 27547 2 . GLN 17 17 27547 2 . LYS 18 18 27547 2 . ASN 19 19 27547 2 . ILE 20 20 27547 2 . THR 21 21 27547 2 . LYS 22 22 27547 2 . THR 23 23 27547 2 . ASP 24 24 27547 2 . LYS 25 25 27547 2 . LYS 26 26 27547 2 . LYS 27 27 27547 2 . LYS 28 28 27547 2 . ARG 29 29 27547 2 . LYS 30 30 27547 2 . ARG 31 31 27547 2 . LYS 32 32 27547 2 . GLU 33 33 27547 2 . SER 34 34 27547 2 . TYR 35 35 27547 2 . ALA 36 36 27547 2 . ILE 37 37 27547 2 . TYR 38 38 27547 2 . ILE 39 39 27547 2 . TYR 40 40 27547 2 . LYS 41 41 27547 2 . VAL 42 42 27547 2 . LEU 43 43 27547 2 . LYS 44 44 27547 2 . GLN 45 45 27547 2 . VAL 46 46 27547 2 . HIS 47 47 27547 2 . PRO 48 48 27547 2 . ASP 49 49 27547 2 . THR 50 50 27547 2 . GLY 51 51 27547 2 . ILE 52 52 27547 2 . SER 53 53 27547 2 . SER 54 54 27547 2 . LYS 55 55 27547 2 . ALA 56 56 27547 2 . MET 57 57 27547 2 . SER 58 58 27547 2 . ILE 59 59 27547 2 . MET 60 60 27547 2 . ASN 61 61 27547 2 . SER 62 62 27547 2 . PHE 63 63 27547 2 . VAL 64 64 27547 2 . ASN 65 65 27547 2 . ASP 66 66 27547 2 . ILE 67 67 27547 2 . PHE 68 68 27547 2 . GLU 69 69 27547 2 . ARG 70 70 27547 2 . ILE 71 71 27547 2 . ALA 72 72 27547 2 . ALA 73 73 27547 2 . GLU 74 74 27547 2 . ALA 75 75 27547 2 . SER 76 76 27547 2 . ARG 77 77 27547 2 . LEU 78 78 27547 2 . ALA 79 79 27547 2 . HIS 80 80 27547 2 . TYR 81 81 27547 2 . ASN 82 82 27547 2 . LYS 83 83 27547 2 . ARG 84 84 27547 2 . SER 85 85 27547 2 . THR 86 86 27547 2 . ILE 87 87 27547 2 . THR 88 88 27547 2 . SER 89 89 27547 2 . ARG 90 90 27547 2 . GLU 91 91 27547 2 . ILE 92 92 27547 2 . GLN 93 93 27547 2 . THR 94 94 27547 2 . ALA 95 95 27547 2 . VAL 96 96 27547 2 . ARG 97 97 27547 2 . LEU 98 98 27547 2 . LEU 99 99 27547 2 . LEU 100 100 27547 2 . PRO 101 101 27547 2 . GLY 102 102 27547 2 . GLU 103 103 27547 2 . LEU 104 104 27547 2 . ALA 105 105 27547 2 . LYS 106 106 27547 2 . HIS 107 107 27547 2 . ALA 108 108 27547 2 . VAL 109 109 27547 2 . SER 110 110 27547 2 . GLU 111 111 27547 2 . GLY 112 112 27547 2 . THR 113 113 27547 2 . LYS 114 114 27547 2 . ALA 115 115 27547 2 . VAL 116 116 27547 2 . THR 117 117 27547 2 . LYS 118 118 27547 2 . TYR 119 119 27547 2 . THR 120 120 27547 2 . SER 121 121 27547 2 . SER 122 122 27547 2 . LYS 123 123 27547 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 27547 _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 $H2A . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 27547 1 2 2 $H2B . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 27547 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 27547 _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 $H2A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21b . . . 27547 1 2 2 $H2B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21b . . . 27547 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27547 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 H2A '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $H2A . . 0.3 . . mM . . . . 27547 1 2 H2B 'natural abundance' . . 2 $H2B . . 0.3 . . mM . . . . 27547 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 27547 1 4 'sodium chloride' 'natural abundance' . . . . . . 90 . . mM . . . . 27547 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27547 _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' 100 . mM 27547 1 pH 5.8 . pH 27547 1 pressure 1 . atm 27547 1 temperature 273 . K 27547 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27547 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27547 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27547 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27547 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27547 _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 spectrometer_1 Bruker Avance . 850 . . . 27547 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 27547 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27547 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27547 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27547 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27547 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27547 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27547 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.25144953 . . . . . 27547 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 27547 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 27547 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27547 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27547 1 2 '3D HNCA' . . . 27547 1 3 '3D HNCO' . . . 27547 1 4 '3D HNCACB' . . . 27547 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 GLY C C 13 174.075 0.000 . . . . . . . 2 GLY C . 27547 1 2 . 1 1 2 2 GLY CA C 13 44.893 0.002 . . . . . . . 2 GLY CA . 27547 1 3 . 1 1 3 3 ARG H H 1 8.358 0.001 . . . . . . . 3 ARG H . 27547 1 4 . 1 1 3 3 ARG C C 13 177.113 0.000 . . . . . . . 3 ARG C . 27547 1 5 . 1 1 3 3 ARG CA C 13 55.980 0.004 . . . . . . . 3 ARG CA . 27547 1 6 . 1 1 3 3 ARG CB C 13 29.922 0.008 . . . . . . . 3 ARG CB . 27547 1 7 . 1 1 3 3 ARG N N 15 121.218 0.026 . . . . . . . 3 ARG N . 27547 1 8 . 1 1 4 4 GLY H H 1 8.473 0.002 . . . . . . . 4 GLY H . 27547 1 9 . 1 1 4 4 GLY C C 13 174.367 0.000 . . . . . . . 4 GLY C . 27547 1 10 . 1 1 4 4 GLY CA C 13 44.925 0.014 . . . . . . . 4 GLY CA . 27547 1 11 . 1 1 4 4 GLY N N 15 110.575 0.012 . . . . . . . 4 GLY N . 27547 1 12 . 1 1 5 5 LYS H H 1 8.268 0.001 . . . . . . . 5 LYS H . 27547 1 13 . 1 1 5 5 LYS C C 13 177.487 0.000 . . . . . . . 5 LYS C . 27547 1 14 . 1 1 5 5 LYS CA C 13 56.032 0.015 . . . . . . . 5 LYS CA . 27547 1 15 . 1 1 5 5 LYS CB C 13 32.081 0.009 . . . . . . . 5 LYS CB . 27547 1 16 . 1 1 5 5 LYS N N 15 121.521 0.017 . . . . . . . 5 LYS N . 27547 1 17 . 1 1 6 6 GLY H H 1 8.451 0.002 . . . . . . . 6 GLY H . 27547 1 18 . 1 1 6 6 GLY C C 13 174.765 0.000 . . . . . . . 6 GLY C . 27547 1 19 . 1 1 6 6 GLY CA C 13 44.978 0.035 . . . . . . . 6 GLY CA . 27547 1 20 . 1 1 6 6 GLY N N 15 110.369 0.011 . . . . . . . 6 GLY N . 27547 1 21 . 1 1 7 7 GLY H H 1 8.187 0.001 . . . . . . . 7 GLY H . 27547 1 22 . 1 1 7 7 GLY C C 13 174.185 0.000 . . . . . . . 7 GLY C . 27547 1 23 . 1 1 7 7 GLY CA C 13 44.799 0.008 . . . . . . . 7 GLY CA . 27547 1 24 . 1 1 7 7 GLY N N 15 109.113 0.010 . . . . . . . 7 GLY N . 27547 1 25 . 1 1 8 8 LYS H H 1 8.144 0.001 . . . . . . . 8 LYS H . 27547 1 26 . 1 1 8 8 LYS C C 13 176.795 0.000 . . . . . . . 8 LYS C . 27547 1 27 . 1 1 8 8 LYS CA C 13 55.964 0.000 . . . . . . . 8 LYS CA . 27547 1 28 . 1 1 8 8 LYS CB C 13 32.212 0.020 . . . . . . . 8 LYS CB . 27547 1 29 . 1 1 8 8 LYS N N 15 121.445 0.006 . . . . . . . 8 LYS N . 27547 1 30 . 1 1 9 9 VAL H H 1 8.092 0.001 . . . . . . . 9 VAL H . 27547 1 31 . 1 1 9 9 VAL C C 13 176.195 0.000 . . . . . . . 9 VAL C . 27547 1 32 . 1 1 9 9 VAL CA C 13 61.843 0.005 . . . . . . . 9 VAL CA . 27547 1 33 . 1 1 9 9 VAL CB C 13 31.934 0.009 . . . . . . . 9 VAL CB . 27547 1 34 . 1 1 9 9 VAL N N 15 121.937 0.008 . . . . . . . 9 VAL N . 27547 1 35 . 1 1 10 10 LYS H H 1 8.382 0.002 . . . . . . . 10 LYS H . 27547 1 36 . 1 1 10 10 LYS C C 13 177.002 0.000 . . . . . . . 10 LYS C . 27547 1 37 . 1 1 10 10 LYS CA C 13 56.071 0.004 . . . . . . . 10 LYS CA . 27547 1 38 . 1 1 10 10 LYS CB C 13 32.209 0.008 . . . . . . . 10 LYS CB . 27547 1 39 . 1 1 10 10 LYS N N 15 126.186 0.011 . . . . . . . 10 LYS N . 27547 1 40 . 1 1 11 11 GLY H H 1 8.334 0.001 . . . . . . . 11 GLY H . 27547 1 41 . 1 1 11 11 GLY C C 13 174.115 0.000 . . . . . . . 11 GLY C . 27547 1 42 . 1 1 11 11 GLY CA C 13 44.798 0.009 . . . . . . . 11 GLY CA . 27547 1 43 . 1 1 11 11 GLY N N 15 110.760 0.012 . . . . . . . 11 GLY N . 27547 1 44 . 1 1 12 12 LYS H H 1 8.378 0.005 . . . . . . . 12 LYS H . 27547 1 45 . 1 1 12 12 LYS C C 13 176.932 0.000 . . . . . . . 12 LYS C . 27547 1 46 . 1 1 12 12 LYS CA C 13 55.954 0.009 . . . . . . . 12 LYS CA . 27547 1 47 . 1 1 12 12 LYS CB C 13 32.348 0.011 . . . . . . . 12 LYS CB . 27547 1 48 . 1 1 12 12 LYS N N 15 122.002 0.031 . . . . . . . 12 LYS N . 27547 1 49 . 1 1 13 13 ALA H H 1 8.443 0.001 . . . . . . . 13 ALA H . 27547 1 50 . 1 1 13 13 ALA C C 13 178.050 0.000 . . . . . . . 13 ALA C . 27547 1 51 . 1 1 13 13 ALA CA C 13 52.511 0.006 . . . . . . . 13 ALA CA . 27547 1 52 . 1 1 13 13 ALA CB C 13 18.327 0.019 . . . . . . . 13 ALA CB . 27547 1 53 . 1 1 13 13 ALA N N 15 125.656 0.019 . . . . . . . 13 ALA N . 27547 1 54 . 1 1 14 14 LYS H H 1 8.256 0.002 . . . . . . . 14 LYS H . 27547 1 55 . 1 1 14 14 LYS C C 13 176.820 0.000 . . . . . . . 14 LYS C . 27547 1 56 . 1 1 14 14 LYS CA C 13 56.129 0.002 . . . . . . . 14 LYS CA . 27547 1 57 . 1 1 14 14 LYS CB C 13 32.227 0.012 . . . . . . . 14 LYS CB . 27547 1 58 . 1 1 14 14 LYS N N 15 120.673 0.031 . . . . . . . 14 LYS N . 27547 1 59 . 1 1 15 15 SER H H 1 8.213 0.002 . . . . . . . 15 SER H . 27547 1 60 . 1 1 15 15 SER C C 13 174.708 0.000 . . . . . . . 15 SER C . 27547 1 61 . 1 1 15 15 SER CA C 13 57.946 0.007 . . . . . . . 15 SER CA . 27547 1 62 . 1 1 15 15 SER CB C 13 64.624 0.000 . . . . . . . 15 SER CB . 27547 1 63 . 1 1 15 15 SER N N 15 117.176 0.008 . . . . . . . 15 SER N . 27547 1 64 . 1 1 16 16 ARG H H 1 8.300 0.008 . . . . . . . 16 ARG H . 27547 1 65 . 1 1 16 16 ARG C C 13 176.563 0.000 . . . . . . . 16 ARG C . 27547 1 66 . 1 1 16 16 ARG CA C 13 55.913 0.005 . . . . . . . 16 ARG CA . 27547 1 67 . 1 1 16 16 ARG CB C 13 29.858 0.024 . . . . . . . 16 ARG CB . 27547 1 68 . 1 1 16 16 ARG N N 15 123.440 0.033 . . . . . . . 16 ARG N . 27547 1 69 . 1 1 17 17 SER H H 1 8.383 0.001 . . . . . . . 17 SER H . 27547 1 70 . 1 1 17 17 SER C C 13 174.573 0.000 . . . . . . . 17 SER C . 27547 1 71 . 1 1 17 17 SER CA C 13 58.216 0.033 . . . . . . . 17 SER CA . 27547 1 72 . 1 1 17 17 SER CB C 13 63.086 0.000 . . . . . . . 17 SER CB . 27547 1 73 . 1 1 17 17 SER N N 15 117.182 0.029 . . . . . . . 17 SER N . 27547 1 74 . 1 1 18 18 ASN H H 1 8.427 0.004 . . . . . . . 18 ASN H . 27547 1 75 . 1 1 18 18 ASN C C 13 175.494 0.000 . . . . . . . 18 ASN C . 27547 1 76 . 1 1 18 18 ASN CA C 13 53.142 0.015 . . . . . . . 18 ASN CA . 27547 1 77 . 1 1 18 18 ASN CB C 13 38.197 0.016 . . . . . . . 18 ASN CB . 27547 1 78 . 1 1 18 18 ASN N N 15 121.696 0.031 . . . . . . . 18 ASN N . 27547 1 79 . 1 1 19 19 ARG H H 1 8.213 0.003 . . . . . . . 19 ARG H . 27547 1 80 . 1 1 19 19 ARG C C 13 176.049 0.000 . . . . . . . 19 ARG C . 27547 1 81 . 1 1 19 19 ARG CA C 13 56.071 0.005 . . . . . . . 19 ARG CA . 27547 1 82 . 1 1 19 19 ARG CB C 13 29.901 0.007 . . . . . . . 19 ARG CB . 27547 1 83 . 1 1 19 19 ARG N N 15 121.587 0.019 . . . . . . . 19 ARG N . 27547 1 84 . 1 1 20 20 ALA H H 1 8.203 0.001 . . . . . . . 20 ALA H . 27547 1 85 . 1 1 20 20 ALA C C 13 177.555 0.000 . . . . . . . 20 ALA C . 27547 1 86 . 1 1 20 20 ALA CA C 13 51.974 0.001 . . . . . . . 20 ALA CA . 27547 1 87 . 1 1 20 20 ALA CB C 13 18.932 0.001 . . . . . . . 20 ALA CB . 27547 1 88 . 1 1 20 20 ALA N N 15 124.562 0.026 . . . . . . . 20 ALA N . 27547 1 89 . 1 1 21 21 GLY H H 1 7.962 0.001 . . . . . . . 21 GLY H . 27547 1 90 . 1 1 21 21 GLY C C 13 173.405 0.000 . . . . . . . 21 GLY C . 27547 1 91 . 1 1 21 21 GLY CA C 13 44.294 0.013 . . . . . . . 21 GLY CA . 27547 1 92 . 1 1 21 21 GLY N N 15 107.955 0.019 . . . . . . . 21 GLY N . 27547 1 93 . 1 1 22 22 LEU H H 1 7.971 0.001 . . . . . . . 22 LEU H . 27547 1 94 . 1 1 22 22 LEU CA C 13 55.017 0.012 . . . . . . . 22 LEU CA . 27547 1 95 . 1 1 22 22 LEU CB C 13 41.732 0.000 . . . . . . . 22 LEU CB . 27547 1 96 . 1 1 22 22 LEU N N 15 122.043 0.012 . . . . . . . 22 LEU N . 27547 1 97 . 1 1 23 23 GLN H H 1 10.897 0.001 . . . . . . . 23 GLN H . 27547 1 98 . 1 1 23 23 GLN C C 13 177.662 0.000 . . . . . . . 23 GLN C . 27547 1 99 . 1 1 23 23 GLN CA C 13 55.239 0.000 . . . . . . . 23 GLN CA . 27547 1 100 . 1 1 23 23 GLN CB C 13 29.409 0.000 . . . . . . . 23 GLN CB . 27547 1 101 . 1 1 23 23 GLN N N 15 124.050 0.002 . . . . . . . 23 GLN N . 27547 1 102 . 1 1 24 24 PHE H H 1 8.682 0.001 . . . . . . . 24 PHE H . 27547 1 103 . 1 1 24 24 PHE CA C 13 56.531 0.000 . . . . . . . 24 PHE CA . 27547 1 104 . 1 1 24 24 PHE CB C 13 37.765 0.000 . . . . . . . 24 PHE CB . 27547 1 105 . 1 1 24 24 PHE N N 15 121.534 0.030 . . . . . . . 24 PHE N . 27547 1 106 . 1 1 25 25 PRO C C 13 175.739 0.000 . . . . . . . 25 PRO C . 27547 1 107 . 1 1 25 25 PRO CA C 13 61.670 0.000 . . . . . . . 25 PRO CA . 27547 1 108 . 1 1 25 25 PRO CB C 13 29.799 0.000 . . . . . . . 25 PRO CB . 27547 1 109 . 1 1 26 26 VAL H H 1 8.023 0.001 . . . . . . . 26 VAL H . 27547 1 110 . 1 1 26 26 VAL C C 13 177.539 0.000 . . . . . . . 26 VAL C . 27547 1 111 . 1 1 26 26 VAL CA C 13 66.809 0.004 . . . . . . . 26 VAL CA . 27547 1 112 . 1 1 26 26 VAL CB C 13 31.328 0.011 . . . . . . . 26 VAL CB . 27547 1 113 . 1 1 26 26 VAL N N 15 128.436 0.009 . . . . . . . 26 VAL N . 27547 1 114 . 1 1 27 27 GLY H H 1 8.654 0.002 . . . . . . . 27 GLY H . 27547 1 115 . 1 1 27 27 GLY C C 13 177.291 0.000 . . . . . . . 27 GLY C . 27547 1 116 . 1 1 27 27 GLY CA C 13 46.802 0.011 . . . . . . . 27 GLY CA . 27547 1 117 . 1 1 27 27 GLY N N 15 107.350 0.007 . . . . . . . 27 GLY N . 27547 1 118 . 1 1 28 28 ARG H H 1 7.353 0.001 . . . . . . . 28 ARG H . 27547 1 119 . 1 1 28 28 ARG C C 13 178.234 0.000 . . . . . . . 28 ARG C . 27547 1 120 . 1 1 28 28 ARG CA C 13 57.942 0.003 . . . . . . . 28 ARG CA . 27547 1 121 . 1 1 28 28 ARG CB C 13 29.011 0.001 . . . . . . . 28 ARG CB . 27547 1 122 . 1 1 28 28 ARG N N 15 122.609 0.013 . . . . . . . 28 ARG N . 27547 1 123 . 1 1 29 29 ILE H H 1 7.933 0.002 . . . . . . . 29 ILE H . 27547 1 124 . 1 1 29 29 ILE C C 13 177.635 0.000 . . . . . . . 29 ILE C . 27547 1 125 . 1 1 29 29 ILE CA C 13 64.599 0.004 . . . . . . . 29 ILE CA . 27547 1 126 . 1 1 29 29 ILE CB C 13 36.267 0.004 . . . . . . . 29 ILE CB . 27547 1 127 . 1 1 29 29 ILE N N 15 120.787 0.011 . . . . . . . 29 ILE N . 27547 1 128 . 1 1 30 30 HIS H H 1 8.879 0.001 . . . . . . . 30 HIS H . 27547 1 129 . 1 1 30 30 HIS C C 13 177.630 0.000 . . . . . . . 30 HIS C . 27547 1 130 . 1 1 30 30 HIS CA C 13 59.067 0.001 . . . . . . . 30 HIS CA . 27547 1 131 . 1 1 30 30 HIS CB C 13 31.151 0.007 . . . . . . . 30 HIS CB . 27547 1 132 . 1 1 30 30 HIS N N 15 121.266 0.015 . . . . . . . 30 HIS N . 27547 1 133 . 1 1 31 31 ARG H H 1 7.887 0.001 . . . . . . . 31 ARG H . 27547 1 134 . 1 1 31 31 ARG C C 13 178.939 0.000 . . . . . . . 31 ARG C . 27547 1 135 . 1 1 31 31 ARG CA C 13 59.455 0.002 . . . . . . . 31 ARG CA . 27547 1 136 . 1 1 31 31 ARG CB C 13 28.812 0.006 . . . . . . . 31 ARG CB . 27547 1 137 . 1 1 31 31 ARG N N 15 118.821 0.026 . . . . . . . 31 ARG N . 27547 1 138 . 1 1 32 32 LEU H H 1 8.472 0.002 . . . . . . . 32 LEU H . 27547 1 139 . 1 1 32 32 LEU C C 13 181.446 0.000 . . . . . . . 32 LEU C . 27547 1 140 . 1 1 32 32 LEU CA C 13 57.707 0.018 . . . . . . . 32 LEU CA . 27547 1 141 . 1 1 32 32 LEU CB C 13 41.734 0.000 . . . . . . . 32 LEU CB . 27547 1 142 . 1 1 32 32 LEU N N 15 120.157 0.030 . . . . . . . 32 LEU N . 27547 1 143 . 1 1 33 33 LEU H H 1 8.493 0.001 . . . . . . . 33 LEU H . 27547 1 144 . 1 1 33 33 LEU C C 13 178.992 0.000 . . . . . . . 33 LEU C . 27547 1 145 . 1 1 33 33 LEU CA C 13 57.266 0.014 . . . . . . . 33 LEU CA . 27547 1 146 . 1 1 33 33 LEU CB C 13 42.201 0.029 . . . . . . . 33 LEU CB . 27547 1 147 . 1 1 33 33 LEU N N 15 119.981 0.009 . . . . . . . 33 LEU N . 27547 1 148 . 1 1 34 34 ARG H H 1 8.099 0.003 . . . . . . . 34 ARG H . 27547 1 149 . 1 1 34 34 ARG C C 13 179.356 0.000 . . . . . . . 34 ARG C . 27547 1 150 . 1 1 34 34 ARG CA C 13 58.493 0.022 . . . . . . . 34 ARG CA . 27547 1 151 . 1 1 34 34 ARG CB C 13 29.645 0.007 . . . . . . . 34 ARG CB . 27547 1 152 . 1 1 34 34 ARG N N 15 118.370 0.018 . . . . . . . 34 ARG N . 27547 1 153 . 1 1 35 35 LYS H H 1 8.693 0.001 . . . . . . . 35 LYS H . 27547 1 154 . 1 1 35 35 LYS C C 13 177.935 0.000 . . . . . . . 35 LYS C . 27547 1 155 . 1 1 35 35 LYS CA C 13 57.050 0.001 . . . . . . . 35 LYS CA . 27547 1 156 . 1 1 35 35 LYS CB C 13 31.509 0.027 . . . . . . . 35 LYS CB . 27547 1 157 . 1 1 35 35 LYS N N 15 119.488 0.026 . . . . . . . 35 LYS N . 27547 1 158 . 1 1 36 36 GLY H H 1 7.587 0.001 . . . . . . . 36 GLY H . 27547 1 159 . 1 1 36 36 GLY C C 13 172.921 0.000 . . . . . . . 36 GLY C . 27547 1 160 . 1 1 36 36 GLY CA C 13 45.069 0.016 . . . . . . . 36 GLY CA . 27547 1 161 . 1 1 36 36 GLY N N 15 104.728 0.015 . . . . . . . 36 GLY N . 27547 1 162 . 1 1 37 37 ASN H H 1 7.908 0.001 . . . . . . . 37 ASN H . 27547 1 163 . 1 1 37 37 ASN C C 13 174.684 0.000 . . . . . . . 37 ASN C . 27547 1 164 . 1 1 37 37 ASN CA C 13 53.715 0.001 . . . . . . . 37 ASN CA . 27547 1 165 . 1 1 37 37 ASN CB C 13 36.233 0.018 . . . . . . . 37 ASN CB . 27547 1 166 . 1 1 37 37 ASN N N 15 115.611 0.015 . . . . . . . 37 ASN N . 27547 1 167 . 1 1 38 38 TYR H H 1 8.030 0.001 . . . . . . . 38 TYR H . 27547 1 168 . 1 1 38 38 TYR C C 13 176.549 0.000 . . . . . . . 38 TYR C . 27547 1 169 . 1 1 38 38 TYR CA C 13 59.728 0.011 . . . . . . . 38 TYR CA . 27547 1 170 . 1 1 38 38 TYR CB C 13 38.197 0.012 . . . . . . . 38 TYR CB . 27547 1 171 . 1 1 38 38 TYR N N 15 117.590 0.011 . . . . . . . 38 TYR N . 27547 1 172 . 1 1 39 39 ALA H H 1 8.107 0.001 . . . . . . . 39 ALA H . 27547 1 173 . 1 1 39 39 ALA C C 13 175.764 0.000 . . . . . . . 39 ALA C . 27547 1 174 . 1 1 39 39 ALA CA C 13 51.269 0.000 . . . . . . . 39 ALA CA . 27547 1 175 . 1 1 39 39 ALA CB C 13 20.840 0.005 . . . . . . . 39 ALA CB . 27547 1 176 . 1 1 39 39 ALA N N 15 119.202 0.009 . . . . . . . 39 ALA N . 27547 1 177 . 1 1 40 40 GLU H H 1 8.422 0.001 . . . . . . . 40 GLU H . 27547 1 178 . 1 1 40 40 GLU C C 13 177.083 0.000 . . . . . . . 40 GLU C . 27547 1 179 . 1 1 40 40 GLU CA C 13 58.704 0.017 . . . . . . . 40 GLU CA . 27547 1 180 . 1 1 40 40 GLU CB C 13 29.346 0.006 . . . . . . . 40 GLU CB . 27547 1 181 . 1 1 40 40 GLU N N 15 120.646 0.006 . . . . . . . 40 GLU N . 27547 1 182 . 1 1 41 41 ARG H H 1 7.952 0.001 . . . . . . . 41 ARG H . 27547 1 183 . 1 1 41 41 ARG C C 13 174.281 0.000 . . . . . . . 41 ARG C . 27547 1 184 . 1 1 41 41 ARG CA C 13 54.263 0.002 . . . . . . . 41 ARG CA . 27547 1 185 . 1 1 41 41 ARG CB C 13 33.025 0.007 . . . . . . . 41 ARG CB . 27547 1 186 . 1 1 41 41 ARG N N 15 115.848 0.023 . . . . . . . 41 ARG N . 27547 1 187 . 1 1 42 42 VAL H H 1 8.610 0.001 . . . . . . . 42 VAL H . 27547 1 188 . 1 1 42 42 VAL C C 13 176.515 0.000 . . . . . . . 42 VAL C . 27547 1 189 . 1 1 42 42 VAL CA C 13 60.474 0.005 . . . . . . . 42 VAL CA . 27547 1 190 . 1 1 42 42 VAL CB C 13 33.620 0.002 . . . . . . . 42 VAL CB . 27547 1 191 . 1 1 42 42 VAL N N 15 122.292 0.002 . . . . . . . 42 VAL N . 27547 1 192 . 1 1 43 43 GLY H H 1 9.184 0.001 . . . . . . . 43 GLY H . 27547 1 193 . 1 1 43 43 GLY C C 13 174.262 0.000 . . . . . . . 43 GLY C . 27547 1 194 . 1 1 43 43 GLY CA C 13 45.189 0.016 . . . . . . . 43 GLY CA . 27547 1 195 . 1 1 43 43 GLY N N 15 116.509 0.009 . . . . . . . 43 GLY N . 27547 1 196 . 1 1 44 44 ALA H H 1 8.452 0.001 . . . . . . . 44 ALA H . 27547 1 197 . 1 1 44 44 ALA C C 13 179.210 0.000 . . . . . . . 44 ALA C . 27547 1 198 . 1 1 44 44 ALA CA C 13 54.599 0.017 . . . . . . . 44 ALA CA . 27547 1 199 . 1 1 44 44 ALA CB C 13 18.216 0.013 . . . . . . . 44 ALA CB . 27547 1 200 . 1 1 44 44 ALA N N 15 122.553 0.019 . . . . . . . 44 ALA N . 27547 1 201 . 1 1 45 45 GLY H H 1 8.650 0.001 . . . . . . . 45 GLY H . 27547 1 202 . 1 1 45 45 GLY C C 13 175.492 0.000 . . . . . . . 45 GLY C . 27547 1 203 . 1 1 45 45 GLY CA C 13 45.339 0.012 . . . . . . . 45 GLY CA . 27547 1 204 . 1 1 45 45 GLY N N 15 105.512 0.016 . . . . . . . 45 GLY N . 27547 1 205 . 1 1 46 46 ALA H H 1 7.464 0.001 . . . . . . . 46 ALA H . 27547 1 206 . 1 1 46 46 ALA CA C 13 56.156 0.000 . . . . . . . 46 ALA CA . 27547 1 207 . 1 1 46 46 ALA CB C 13 15.354 0.000 . . . . . . . 46 ALA CB . 27547 1 208 . 1 1 46 46 ALA N N 15 124.481 0.013 . . . . . . . 46 ALA N . 27547 1 209 . 1 1 47 47 PRO C C 13 177.171 0.000 . . . . . . . 47 PRO C . 27547 1 210 . 1 1 47 47 PRO CA C 13 65.001 0.000 . . . . . . . 47 PRO CA . 27547 1 211 . 1 1 48 48 VAL H H 1 6.271 0.001 . . . . . . . 48 VAL H . 27547 1 212 . 1 1 48 48 VAL C C 13 176.185 0.000 . . . . . . . 48 VAL C . 27547 1 213 . 1 1 48 48 VAL CA C 13 65.376 0.001 . . . . . . . 48 VAL CA . 27547 1 214 . 1 1 48 48 VAL CB C 13 30.978 0.010 . . . . . . . 48 VAL CB . 27547 1 215 . 1 1 48 48 VAL N N 15 118.519 0.014 . . . . . . . 48 VAL N . 27547 1 216 . 1 1 49 49 TYR H H 1 7.897 0.001 . . . . . . . 49 TYR H . 27547 1 217 . 1 1 49 49 TYR C C 13 178.907 0.000 . . . . . . . 49 TYR C . 27547 1 218 . 1 1 49 49 TYR CA C 13 60.120 0.002 . . . . . . . 49 TYR CA . 27547 1 219 . 1 1 49 49 TYR CB C 13 38.112 0.025 . . . . . . . 49 TYR CB . 27547 1 220 . 1 1 49 49 TYR N N 15 120.695 0.012 . . . . . . . 49 TYR N . 27547 1 221 . 1 1 50 50 LEU H H 1 8.250 0.001 . . . . . . . 50 LEU H . 27547 1 222 . 1 1 50 50 LEU C C 13 177.816 0.000 . . . . . . . 50 LEU C . 27547 1 223 . 1 1 50 50 LEU CA C 13 57.662 0.016 . . . . . . . 50 LEU CA . 27547 1 224 . 1 1 50 50 LEU CB C 13 41.552 0.006 . . . . . . . 50 LEU CB . 27547 1 225 . 1 1 50 50 LEU N N 15 116.502 0.020 . . . . . . . 50 LEU N . 27547 1 226 . 1 1 51 51 ALA H H 1 8.441 0.001 . . . . . . . 51 ALA H . 27547 1 227 . 1 1 51 51 ALA C C 13 179.077 0.000 . . . . . . . 51 ALA C . 27547 1 228 . 1 1 51 51 ALA CA C 13 55.261 0.008 . . . . . . . 51 ALA CA . 27547 1 229 . 1 1 51 51 ALA CB C 13 18.259 0.024 . . . . . . . 51 ALA CB . 27547 1 230 . 1 1 51 51 ALA N N 15 121.222 0.019 . . . . . . . 51 ALA N . 27547 1 231 . 1 1 52 52 ALA H H 1 7.912 0.005 . . . . . . . 52 ALA H . 27547 1 232 . 1 1 52 52 ALA C C 13 180.684 0.000 . . . . . . . 52 ALA C . 27547 1 233 . 1 1 52 52 ALA CA C 13 54.466 0.007 . . . . . . . 52 ALA CA . 27547 1 234 . 1 1 52 52 ALA CB C 13 18.098 0.019 . . . . . . . 52 ALA CB . 27547 1 235 . 1 1 52 52 ALA N N 15 119.035 0.033 . . . . . . . 52 ALA N . 27547 1 236 . 1 1 53 53 VAL H H 1 7.973 0.002 . . . . . . . 53 VAL H . 27547 1 237 . 1 1 53 53 VAL C C 13 177.344 0.000 . . . . . . . 53 VAL C . 27547 1 238 . 1 1 53 53 VAL CA C 13 66.875 0.001 . . . . . . . 53 VAL CA . 27547 1 239 . 1 1 53 53 VAL CB C 13 31.232 0.006 . . . . . . . 53 VAL CB . 27547 1 240 . 1 1 53 53 VAL N N 15 120.045 0.014 . . . . . . . 53 VAL N . 27547 1 241 . 1 1 54 54 MET H H 1 8.433 0.001 . . . . . . . 54 MET H . 27547 1 242 . 1 1 54 54 MET C C 13 176.584 0.000 . . . . . . . 54 MET C . 27547 1 243 . 1 1 54 54 MET CA C 13 59.709 0.000 . . . . . . . 54 MET CA . 27547 1 244 . 1 1 54 54 MET CB C 13 34.046 0.038 . . . . . . . 54 MET CB . 27547 1 245 . 1 1 54 54 MET N N 15 118.877 0.018 . . . . . . . 54 MET N . 27547 1 246 . 1 1 55 55 GLU H H 1 7.932 0.001 . . . . . . . 55 GLU H . 27547 1 247 . 1 1 55 55 GLU C C 13 177.097 0.000 . . . . . . . 55 GLU C . 27547 1 248 . 1 1 55 55 GLU CA C 13 59.457 0.011 . . . . . . . 55 GLU CA . 27547 1 249 . 1 1 55 55 GLU CB C 13 28.976 0.027 . . . . . . . 55 GLU CB . 27547 1 250 . 1 1 55 55 GLU N N 15 118.784 0.021 . . . . . . . 55 GLU N . 27547 1 251 . 1 1 56 56 TYR H H 1 7.860 0.002 . . . . . . . 56 TYR H . 27547 1 252 . 1 1 56 56 TYR C C 13 176.770 0.000 . . . . . . . 56 TYR C . 27547 1 253 . 1 1 56 56 TYR CA C 13 60.385 0.000 . . . . . . . 56 TYR CA . 27547 1 254 . 1 1 56 56 TYR CB C 13 37.566 0.001 . . . . . . . 56 TYR CB . 27547 1 255 . 1 1 56 56 TYR N N 15 119.160 0.021 . . . . . . . 56 TYR N . 27547 1 256 . 1 1 57 57 LEU H H 1 7.965 0.002 . . . . . . . 57 LEU H . 27547 1 257 . 1 1 57 57 LEU C C 13 178.794 0.000 . . . . . . . 57 LEU C . 27547 1 258 . 1 1 57 57 LEU CA C 13 57.026 0.008 . . . . . . . 57 LEU CA . 27547 1 259 . 1 1 57 57 LEU CB C 13 41.082 0.033 . . . . . . . 57 LEU CB . 27547 1 260 . 1 1 57 57 LEU N N 15 117.670 0.016 . . . . . . . 57 LEU N . 27547 1 261 . 1 1 58 58 ALA H H 1 8.059 0.002 . . . . . . . 58 ALA H . 27547 1 262 . 1 1 58 58 ALA C C 13 178.524 0.000 . . . . . . . 58 ALA C . 27547 1 263 . 1 1 58 58 ALA CA C 13 55.159 0.006 . . . . . . . 58 ALA CA . 27547 1 264 . 1 1 58 58 ALA CB C 13 15.989 0.011 . . . . . . . 58 ALA CB . 27547 1 265 . 1 1 58 58 ALA N N 15 118.994 0.018 . . . . . . . 58 ALA N . 27547 1 266 . 1 1 59 59 ALA H H 1 8.642 0.001 . . . . . . . 59 ALA H . 27547 1 267 . 1 1 59 59 ALA C C 13 179.377 0.000 . . . . . . . 59 ALA C . 27547 1 268 . 1 1 59 59 ALA CA C 13 55.366 0.019 . . . . . . . 59 ALA CA . 27547 1 269 . 1 1 59 59 ALA CB C 13 16.943 0.007 . . . . . . . 59 ALA CB . 27547 1 270 . 1 1 59 59 ALA N N 15 119.970 0.022 . . . . . . . 59 ALA N . 27547 1 271 . 1 1 60 60 GLU H H 1 8.092 0.001 . . . . . . . 60 GLU H . 27547 1 272 . 1 1 60 60 GLU C C 13 178.814 0.000 . . . . . . . 60 GLU C . 27547 1 273 . 1 1 60 60 GLU CA C 13 58.758 0.018 . . . . . . . 60 GLU CA . 27547 1 274 . 1 1 60 60 GLU CB C 13 28.332 0.001 . . . . . . . 60 GLU CB . 27547 1 275 . 1 1 60 60 GLU N N 15 119.732 0.017 . . . . . . . 60 GLU N . 27547 1 276 . 1 1 61 61 VAL H H 1 7.628 0.002 . . . . . . . 61 VAL H . 27547 1 277 . 1 1 61 61 VAL C C 13 178.177 0.000 . . . . . . . 61 VAL C . 27547 1 278 . 1 1 61 61 VAL CA C 13 66.571 0.010 . . . . . . . 61 VAL CA . 27547 1 279 . 1 1 61 61 VAL CB C 13 31.279 0.028 . . . . . . . 61 VAL CB . 27547 1 280 . 1 1 61 61 VAL N N 15 116.867 0.013 . . . . . . . 61 VAL N . 27547 1 281 . 1 1 62 62 LEU H H 1 8.560 0.001 . . . . . . . 62 LEU H . 27547 1 282 . 1 1 62 62 LEU C C 13 179.875 0.000 . . . . . . . 62 LEU C . 27547 1 283 . 1 1 62 62 LEU CA C 13 57.584 0.007 . . . . . . . 62 LEU CA . 27547 1 284 . 1 1 62 62 LEU CB C 13 41.005 0.015 . . . . . . . 62 LEU CB . 27547 1 285 . 1 1 62 62 LEU N N 15 118.145 0.017 . . . . . . . 62 LEU N . 27547 1 286 . 1 1 63 63 GLU H H 1 9.057 0.001 . . . . . . . 63 GLU H . 27547 1 287 . 1 1 63 63 GLU C C 13 179.992 0.000 . . . . . . . 63 GLU C . 27547 1 288 . 1 1 63 63 GLU CA C 13 59.259 0.015 . . . . . . . 63 GLU CA . 27547 1 289 . 1 1 63 63 GLU CB C 13 28.312 0.044 . . . . . . . 63 GLU CB . 27547 1 290 . 1 1 63 63 GLU N N 15 122.318 0.038 . . . . . . . 63 GLU N . 27547 1 291 . 1 1 64 64 LEU H H 1 7.694 0.003 . . . . . . . 64 LEU H . 27547 1 292 . 1 1 64 64 LEU C C 13 180.831 0.000 . . . . . . . 64 LEU C . 27547 1 293 . 1 1 64 64 LEU CA C 13 57.627 0.005 . . . . . . . 64 LEU CA . 27547 1 294 . 1 1 64 64 LEU CB C 13 41.266 0.018 . . . . . . . 64 LEU CB . 27547 1 295 . 1 1 64 64 LEU N N 15 119.838 0.030 . . . . . . . 64 LEU N . 27547 1 296 . 1 1 65 65 ALA H H 1 9.384 0.002 . . . . . . . 65 ALA H . 27547 1 297 . 1 1 65 65 ALA C C 13 179.698 0.000 . . . . . . . 65 ALA C . 27547 1 298 . 1 1 65 65 ALA CA C 13 54.523 0.008 . . . . . . . 65 ALA CA . 27547 1 299 . 1 1 65 65 ALA CB C 13 18.132 0.011 . . . . . . . 65 ALA CB . 27547 1 300 . 1 1 65 65 ALA N N 15 124.595 0.013 . . . . . . . 65 ALA N . 27547 1 301 . 1 1 66 66 GLY H H 1 8.763 0.001 . . . . . . . 66 GLY H . 27547 1 302 . 1 1 66 66 GLY C C 13 175.667 0.000 . . . . . . . 66 GLY C . 27547 1 303 . 1 1 66 66 GLY CA C 13 45.351 0.020 . . . . . . . 66 GLY CA . 27547 1 304 . 1 1 66 66 GLY N N 15 105.899 0.024 . . . . . . . 66 GLY N . 27547 1 305 . 1 1 67 67 ASN H H 1 7.727 0.001 . . . . . . . 67 ASN H . 27547 1 306 . 1 1 67 67 ASN C C 13 176.908 0.000 . . . . . . . 67 ASN C . 27547 1 307 . 1 1 67 67 ASN CA C 13 55.117 0.000 . . . . . . . 67 ASN CA . 27547 1 308 . 1 1 67 67 ASN CB C 13 36.468 0.056 . . . . . . . 67 ASN CB . 27547 1 309 . 1 1 67 67 ASN N N 15 123.167 0.015 . . . . . . . 67 ASN N . 27547 1 310 . 1 1 68 68 ALA H H 1 7.486 0.001 . . . . . . . 68 ALA H . 27547 1 311 . 1 1 68 68 ALA C C 13 180.073 0.000 . . . . . . . 68 ALA C . 27547 1 312 . 1 1 68 68 ALA CA C 13 54.466 0.004 . . . . . . . 68 ALA CA . 27547 1 313 . 1 1 68 68 ALA CB C 13 16.486 0.000 . . . . . . . 68 ALA CB . 27547 1 314 . 1 1 68 68 ALA N N 15 123.371 0.015 . . . . . . . 68 ALA N . 27547 1 315 . 1 1 69 69 ALA H H 1 7.746 0.001 . . . . . . . 69 ALA H . 27547 1 316 . 1 1 69 69 ALA C C 13 179.246 0.000 . . . . . . . 69 ALA C . 27547 1 317 . 1 1 69 69 ALA CA C 13 54.827 0.006 . . . . . . . 69 ALA CA . 27547 1 318 . 1 1 69 69 ALA CB C 13 16.285 0.000 . . . . . . . 69 ALA CB . 27547 1 319 . 1 1 69 69 ALA N N 15 122.444 0.021 . . . . . . . 69 ALA N . 27547 1 320 . 1 1 70 70 ARG H H 1 7.738 0.002 . . . . . . . 70 ARG H . 27547 1 321 . 1 1 70 70 ARG C C 13 181.333 0.000 . . . . . . . 70 ARG C . 27547 1 322 . 1 1 70 70 ARG CA C 13 58.731 0.011 . . . . . . . 70 ARG CA . 27547 1 323 . 1 1 70 70 ARG CB C 13 28.529 0.021 . . . . . . . 70 ARG CB . 27547 1 324 . 1 1 70 70 ARG N N 15 119.444 0.021 . . . . . . . 70 ARG N . 27547 1 325 . 1 1 71 71 ASP H H 1 8.461 0.001 . . . . . . . 71 ASP H . 27547 1 326 . 1 1 71 71 ASP C C 13 176.906 0.000 . . . . . . . 71 ASP C . 27547 1 327 . 1 1 71 71 ASP CA C 13 56.659 0.006 . . . . . . . 71 ASP CA . 27547 1 328 . 1 1 71 71 ASP CB C 13 39.600 0.009 . . . . . . . 71 ASP CB . 27547 1 329 . 1 1 71 71 ASP N N 15 122.841 0.016 . . . . . . . 71 ASP N . 27547 1 330 . 1 1 72 72 ASN H H 1 7.391 0.002 . . . . . . . 72 ASN H . 27547 1 331 . 1 1 72 72 ASN C C 13 173.370 0.000 . . . . . . . 72 ASN C . 27547 1 332 . 1 1 72 72 ASN CA C 13 52.662 0.004 . . . . . . . 72 ASN CA . 27547 1 333 . 1 1 72 72 ASN CB C 13 40.200 0.001 . . . . . . . 72 ASN CB . 27547 1 334 . 1 1 72 72 ASN N N 15 117.150 0.008 . . . . . . . 72 ASN N . 27547 1 335 . 1 1 73 73 LYS H H 1 8.110 0.001 . . . . . . . 73 LYS H . 27547 1 336 . 1 1 73 73 LYS C C 13 175.542 0.000 . . . . . . . 73 LYS C . 27547 1 337 . 1 1 73 73 LYS CA C 13 56.680 0.003 . . . . . . . 73 LYS CA . 27547 1 338 . 1 1 73 73 LYS CB C 13 27.946 0.013 . . . . . . . 73 LYS CB . 27547 1 339 . 1 1 73 73 LYS N N 15 115.771 0.014 . . . . . . . 73 LYS N . 27547 1 340 . 1 1 74 74 LYS H H 1 8.177 0.001 . . . . . . . 74 LYS H . 27547 1 341 . 1 1 74 74 LYS C C 13 177.087 0.000 . . . . . . . 74 LYS C . 27547 1 342 . 1 1 74 74 LYS CA C 13 52.746 0.003 . . . . . . . 74 LYS CA . 27547 1 343 . 1 1 74 74 LYS CB C 13 33.624 0.016 . . . . . . . 74 LYS CB . 27547 1 344 . 1 1 74 74 LYS N N 15 117.212 0.020 . . . . . . . 74 LYS N . 27547 1 345 . 1 1 75 75 THR H H 1 8.434 0.002 . . . . . . . 75 THR H . 27547 1 346 . 1 1 75 75 THR C C 13 173.765 0.000 . . . . . . . 75 THR C . 27547 1 347 . 1 1 75 75 THR CA C 13 60.900 0.012 . . . . . . . 75 THR CA . 27547 1 348 . 1 1 75 75 THR CB C 13 68.612 0.023 . . . . . . . 75 THR CB . 27547 1 349 . 1 1 75 75 THR N N 15 109.799 0.017 . . . . . . . 75 THR N . 27547 1 350 . 1 1 76 76 ARG H H 1 7.095 0.001 . . . . . . . 76 ARG H . 27547 1 351 . 1 1 76 76 ARG C C 13 174.054 0.000 . . . . . . . 76 ARG C . 27547 1 352 . 1 1 76 76 ARG CA C 13 54.317 0.000 . . . . . . . 76 ARG CA . 27547 1 353 . 1 1 76 76 ARG CB C 13 32.459 0.028 . . . . . . . 76 ARG CB . 27547 1 354 . 1 1 76 76 ARG N N 15 119.468 0.006 . . . . . . . 76 ARG N . 27547 1 355 . 1 1 77 77 ILE H H 1 8.454 0.001 . . . . . . . 77 ILE H . 27547 1 356 . 1 1 77 77 ILE C C 13 175.177 0.000 . . . . . . . 77 ILE C . 27547 1 357 . 1 1 77 77 ILE CA C 13 61.089 0.006 . . . . . . . 77 ILE CA . 27547 1 358 . 1 1 77 77 ILE CB C 13 39.144 0.005 . . . . . . . 77 ILE CB . 27547 1 359 . 1 1 77 77 ILE N N 15 124.796 0.015 . . . . . . . 77 ILE N . 27547 1 360 . 1 1 78 78 ILE H H 1 9.028 0.002 . . . . . . . 78 ILE H . 27547 1 361 . 1 1 78 78 ILE CA C 13 58.895 0.000 . . . . . . . 78 ILE CA . 27547 1 362 . 1 1 78 78 ILE CB C 13 36.120 0.000 . . . . . . . 78 ILE CB . 27547 1 363 . 1 1 78 78 ILE N N 15 125.193 0.014 . . . . . . . 78 ILE N . 27547 1 364 . 1 1 79 79 PRO C C 13 177.625 0.000 . . . . . . . 79 PRO C . 27547 1 365 . 1 1 79 79 PRO CA C 13 67.327 0.000 . . . . . . . 79 PRO CA . 27547 1 366 . 1 1 79 79 PRO CB C 13 30.274 0.000 . . . . . . . 79 PRO CB . 27547 1 367 . 1 1 80 80 ARG H H 1 8.326 0.002 . . . . . . . 80 ARG H . 27547 1 368 . 1 1 80 80 ARG C C 13 177.769 0.000 . . . . . . . 80 ARG C . 27547 1 369 . 1 1 80 80 ARG CA C 13 58.600 0.000 . . . . . . . 80 ARG CA . 27547 1 370 . 1 1 80 80 ARG CB C 13 29.077 0.018 . . . . . . . 80 ARG CB . 27547 1 371 . 1 1 80 80 ARG N N 15 116.322 0.020 . . . . . . . 80 ARG N . 27547 1 372 . 1 1 81 81 HIS H H 1 7.379 0.001 . . . . . . . 81 HIS H . 27547 1 373 . 1 1 81 81 HIS C C 13 178.428 0.000 . . . . . . . 81 HIS C . 27547 1 374 . 1 1 81 81 HIS CA C 13 58.169 0.005 . . . . . . . 81 HIS CA . 27547 1 375 . 1 1 81 81 HIS CB C 13 31.780 0.025 . . . . . . . 81 HIS CB . 27547 1 376 . 1 1 81 81 HIS N N 15 117.920 0.011 . . . . . . . 81 HIS N . 27547 1 377 . 1 1 82 82 LEU H H 1 7.109 0.001 . . . . . . . 82 LEU H . 27547 1 378 . 1 1 82 82 LEU C C 13 177.637 0.000 . . . . . . . 82 LEU C . 27547 1 379 . 1 1 82 82 LEU CA C 13 57.657 0.001 . . . . . . . 82 LEU CA . 27547 1 380 . 1 1 82 82 LEU CB C 13 41.021 0.007 . . . . . . . 82 LEU CB . 27547 1 381 . 1 1 82 82 LEU N N 15 116.968 0.026 . . . . . . . 82 LEU N . 27547 1 382 . 1 1 83 83 GLN H H 1 7.931 0.001 . . . . . . . 83 GLN H . 27547 1 383 . 1 1 83 83 GLN C C 13 178.507 0.000 . . . . . . . 83 GLN C . 27547 1 384 . 1 1 83 83 GLN CA C 13 58.683 0.003 . . . . . . . 83 GLN CA . 27547 1 385 . 1 1 83 83 GLN CB C 13 27.758 0.012 . . . . . . . 83 GLN CB . 27547 1 386 . 1 1 83 83 GLN N N 15 116.687 0.022 . . . . . . . 83 GLN N . 27547 1 387 . 1 1 84 84 LEU H H 1 8.126 0.002 . . . . . . . 84 LEU H . 27547 1 388 . 1 1 84 84 LEU C C 13 178.551 0.000 . . . . . . . 84 LEU C . 27547 1 389 . 1 1 84 84 LEU CA C 13 57.471 0.010 . . . . . . . 84 LEU CA . 27547 1 390 . 1 1 84 84 LEU CB C 13 41.278 0.013 . . . . . . . 84 LEU CB . 27547 1 391 . 1 1 84 84 LEU N N 15 119.503 0.025 . . . . . . . 84 LEU N . 27547 1 392 . 1 1 85 85 ALA H H 1 7.706 0.001 . . . . . . . 85 ALA H . 27547 1 393 . 1 1 85 85 ALA C C 13 179.242 0.000 . . . . . . . 85 ALA C . 27547 1 394 . 1 1 85 85 ALA CA C 13 54.168 0.019 . . . . . . . 85 ALA CA . 27547 1 395 . 1 1 85 85 ALA CB C 13 17.715 0.009 . . . . . . . 85 ALA CB . 27547 1 396 . 1 1 85 85 ALA N N 15 120.050 0.018 . . . . . . . 85 ALA N . 27547 1 397 . 1 1 86 86 ILE H H 1 7.590 0.001 . . . . . . . 86 ILE H . 27547 1 398 . 1 1 86 86 ILE C C 13 176.730 0.000 . . . . . . . 86 ILE C . 27547 1 399 . 1 1 86 86 ILE CA C 13 63.598 0.001 . . . . . . . 86 ILE CA . 27547 1 400 . 1 1 86 86 ILE CB C 13 37.263 0.001 . . . . . . . 86 ILE CB . 27547 1 401 . 1 1 86 86 ILE N N 15 113.428 0.021 . . . . . . . 86 ILE N . 27547 1 402 . 1 1 87 87 ARG H H 1 7.843 0.002 . . . . . . . 87 ARG H . 27547 1 403 . 1 1 87 87 ARG C C 13 178.294 0.000 . . . . . . . 87 ARG C . 27547 1 404 . 1 1 87 87 ARG CA C 13 57.674 0.011 . . . . . . . 87 ARG CA . 27547 1 405 . 1 1 87 87 ARG CB C 13 29.169 0.000 . . . . . . . 87 ARG CB . 27547 1 406 . 1 1 87 87 ARG N N 15 115.744 0.023 . . . . . . . 87 ARG N . 27547 1 407 . 1 1 88 88 ASN H H 1 7.580 0.001 . . . . . . . 88 ASN H . 27547 1 408 . 1 1 88 88 ASN C C 13 174.016 0.000 . . . . . . . 88 ASN C . 27547 1 409 . 1 1 88 88 ASN CA C 13 53.293 0.003 . . . . . . . 88 ASN CA . 27547 1 410 . 1 1 88 88 ASN CB C 13 38.459 0.018 . . . . . . . 88 ASN CB . 27547 1 411 . 1 1 88 88 ASN N N 15 113.805 0.015 . . . . . . . 88 ASN N . 27547 1 412 . 1 1 89 89 ASP H H 1 7.366 0.001 . . . . . . . 89 ASP H . 27547 1 413 . 1 1 89 89 ASP C C 13 174.426 0.000 . . . . . . . 89 ASP C . 27547 1 414 . 1 1 89 89 ASP CA C 13 53.209 0.005 . . . . . . . 89 ASP CA . 27547 1 415 . 1 1 89 89 ASP CB C 13 43.707 0.018 . . . . . . . 89 ASP CB . 27547 1 416 . 1 1 89 89 ASP N N 15 122.391 0.035 . . . . . . . 89 ASP N . 27547 1 417 . 1 1 90 90 GLU H H 1 8.814 0.001 . . . . . . . 90 GLU H . 27547 1 418 . 1 1 90 90 GLU C C 13 178.971 0.000 . . . . . . . 90 GLU C . 27547 1 419 . 1 1 90 90 GLU CA C 13 59.438 0.010 . . . . . . . 90 GLU CA . 27547 1 420 . 1 1 90 90 GLU CB C 13 29.136 0.007 . . . . . . . 90 GLU CB . 27547 1 421 . 1 1 90 90 GLU N N 15 126.030 0.014 . . . . . . . 90 GLU N . 27547 1 422 . 1 1 91 91 GLU H H 1 8.083 0.001 . . . . . . . 91 GLU H . 27547 1 423 . 1 1 91 91 GLU C C 13 178.948 0.000 . . . . . . . 91 GLU C . 27547 1 424 . 1 1 91 91 GLU CA C 13 59.768 0.009 . . . . . . . 91 GLU CA . 27547 1 425 . 1 1 91 91 GLU CB C 13 28.576 0.000 . . . . . . . 91 GLU CB . 27547 1 426 . 1 1 91 91 GLU N N 15 117.821 0.014 . . . . . . . 91 GLU N . 27547 1 427 . 1 1 92 92 LEU H H 1 9.001 0.003 . . . . . . . 92 LEU H . 27547 1 428 . 1 1 92 92 LEU C C 13 179.091 0.000 . . . . . . . 92 LEU C . 27547 1 429 . 1 1 92 92 LEU CA C 13 57.585 0.010 . . . . . . . 92 LEU CA . 27547 1 430 . 1 1 92 92 LEU CB C 13 41.032 0.007 . . . . . . . 92 LEU CB . 27547 1 431 . 1 1 92 92 LEU N N 15 121.147 0.009 . . . . . . . 92 LEU N . 27547 1 432 . 1 1 93 93 ASN H H 1 8.795 0.002 . . . . . . . 93 ASN H . 27547 1 433 . 1 1 93 93 ASN C C 13 178.313 0.000 . . . . . . . 93 ASN C . 27547 1 434 . 1 1 93 93 ASN CA C 13 56.678 0.003 . . . . . . . 93 ASN CA . 27547 1 435 . 1 1 93 93 ASN CB C 13 38.416 0.011 . . . . . . . 93 ASN CB . 27547 1 436 . 1 1 93 93 ASN N N 15 118.046 0.057 . . . . . . . 93 ASN N . 27547 1 437 . 1 1 94 94 LYS H H 1 7.534 0.002 . . . . . . . 94 LYS H . 27547 1 438 . 1 1 94 94 LYS C C 13 179.129 0.000 . . . . . . . 94 LYS C . 27547 1 439 . 1 1 94 94 LYS CA C 13 58.386 0.006 . . . . . . . 94 LYS CA . 27547 1 440 . 1 1 94 94 LYS CB C 13 31.755 0.015 . . . . . . . 94 LYS CB . 27547 1 441 . 1 1 94 94 LYS N N 15 118.559 0.029 . . . . . . . 94 LYS N . 27547 1 442 . 1 1 95 95 LEU H H 1 7.991 0.001 . . . . . . . 95 LEU H . 27547 1 443 . 1 1 95 95 LEU CA C 13 56.966 0.000 . . . . . . . 95 LEU CA . 27547 1 444 . 1 1 95 95 LEU CB C 13 42.020 0.000 . . . . . . . 95 LEU CB . 27547 1 445 . 1 1 95 95 LEU N N 15 120.222 0.009 . . . . . . . 95 LEU N . 27547 1 446 . 1 1 96 96 LEU C C 13 178.057 0.000 . . . . . . . 96 LEU C . 27547 1 447 . 1 1 96 96 LEU CA C 13 55.075 0.000 . . . . . . . 96 LEU CA . 27547 1 448 . 1 1 96 96 LEU CB C 13 40.475 0.000 . . . . . . . 96 LEU CB . 27547 1 449 . 1 1 97 97 SER H H 1 7.879 0.002 . . . . . . . 97 SER H . 27547 1 450 . 1 1 97 97 SER C C 13 175.717 0.000 . . . . . . . 97 SER C . 27547 1 451 . 1 1 97 97 SER CA C 13 60.422 0.017 . . . . . . . 97 SER CA . 27547 1 452 . 1 1 97 97 SER CB C 13 62.684 0.019 . . . . . . . 97 SER CB . 27547 1 453 . 1 1 97 97 SER N N 15 115.666 0.029 . . . . . . . 97 SER N . 27547 1 454 . 1 1 98 98 GLY H H 1 8.328 0.003 . . . . . . . 98 GLY H . 27547 1 455 . 1 1 98 98 GLY C C 13 174.709 0.000 . . . . . . . 98 GLY C . 27547 1 456 . 1 1 98 98 GLY CA C 13 45.302 0.033 . . . . . . . 98 GLY CA . 27547 1 457 . 1 1 98 98 GLY N N 15 109.937 0.023 . . . . . . . 98 GLY N . 27547 1 458 . 1 1 99 99 VAL H H 1 7.721 0.005 . . . . . . . 99 VAL H . 27547 1 459 . 1 1 99 99 VAL C C 13 176.331 0.000 . . . . . . . 99 VAL C . 27547 1 460 . 1 1 99 99 VAL CA C 13 62.317 0.005 . . . . . . . 99 VAL CA . 27547 1 461 . 1 1 99 99 VAL CB C 13 31.656 0.024 . . . . . . . 99 VAL CB . 27547 1 462 . 1 1 99 99 VAL N N 15 119.478 0.017 . . . . . . . 99 VAL N . 27547 1 463 . 1 1 100 100 THR H H 1 8.128 0.002 . . . . . . . 100 THR H . 27547 1 464 . 1 1 100 100 THR C C 13 174.886 0.000 . . . . . . . 100 THR C . 27547 1 465 . 1 1 100 100 THR CA C 13 62.394 0.011 . . . . . . . 100 THR CA . 27547 1 466 . 1 1 100 100 THR CB C 13 69.096 0.010 . . . . . . . 100 THR CB . 27547 1 467 . 1 1 100 100 THR N N 15 118.368 0.024 . . . . . . . 100 THR N . 27547 1 468 . 1 1 101 101 ILE H H 1 8.125 0.001 . . . . . . . 101 ILE H . 27547 1 469 . 1 1 101 101 ILE C C 13 176.015 0.000 . . . . . . . 101 ILE C . 27547 1 470 . 1 1 101 101 ILE CA C 13 61.096 0.016 . . . . . . . 101 ILE CA . 27547 1 471 . 1 1 101 101 ILE CB C 13 37.688 0.003 . . . . . . . 101 ILE CB . 27547 1 472 . 1 1 101 101 ILE N N 15 123.731 0.019 . . . . . . . 101 ILE N . 27547 1 473 . 1 1 102 102 ALA H H 1 8.151 0.001 . . . . . . . 102 ALA H . 27547 1 474 . 1 1 102 102 ALA C C 13 177.627 0.000 . . . . . . . 102 ALA C . 27547 1 475 . 1 1 102 102 ALA CA C 13 52.282 0.009 . . . . . . . 102 ALA CA . 27547 1 476 . 1 1 102 102 ALA CB C 13 18.460 0.000 . . . . . . . 102 ALA CB . 27547 1 477 . 1 1 102 102 ALA N N 15 126.680 0.027 . . . . . . . 102 ALA N . 27547 1 478 . 1 1 103 103 GLN H H 1 8.211 0.003 . . . . . . . 103 GLN H . 27547 1 479 . 1 1 103 103 GLN C C 13 176.606 0.000 . . . . . . . 103 GLN C . 27547 1 480 . 1 1 103 103 GLN CA C 13 55.671 0.003 . . . . . . . 103 GLN CA . 27547 1 481 . 1 1 103 103 GLN CB C 13 28.630 0.013 . . . . . . . 103 GLN CB . 27547 1 482 . 1 1 103 103 GLN N N 15 119.380 0.033 . . . . . . . 103 GLN N . 27547 1 483 . 1 1 104 104 GLY H H 1 8.291 0.002 . . . . . . . 104 GLY H . 27547 1 484 . 1 1 104 104 GLY C C 13 174.544 0.000 . . . . . . . 104 GLY C . 27547 1 485 . 1 1 104 104 GLY CA C 13 45.052 0.044 . . . . . . . 104 GLY CA . 27547 1 486 . 1 1 104 104 GLY N N 15 109.913 0.012 . . . . . . . 104 GLY N . 27547 1 487 . 1 1 105 105 GLY H H 1 8.166 0.001 . . . . . . . 105 GLY H . 27547 1 488 . 1 1 105 105 GLY C C 13 173.795 0.000 . . . . . . . 105 GLY C . 27547 1 489 . 1 1 105 105 GLY CA C 13 44.721 0.021 . . . . . . . 105 GLY CA . 27547 1 490 . 1 1 105 105 GLY N N 15 108.984 0.011 . . . . . . . 105 GLY N . 27547 1 491 . 1 1 106 106 VAL H H 1 7.903 0.003 . . . . . . . 106 VAL H . 27547 1 492 . 1 1 106 106 VAL C C 13 175.988 0.000 . . . . . . . 106 VAL C . 27547 1 493 . 1 1 106 106 VAL CA C 13 61.654 0.007 . . . . . . . 106 VAL CA . 27547 1 494 . 1 1 106 106 VAL CB C 13 32.049 0.056 . . . . . . . 106 VAL CB . 27547 1 495 . 1 1 106 106 VAL N N 15 119.203 0.028 . . . . . . . 106 VAL N . 27547 1 496 . 1 1 107 107 LEU H H 1 8.256 0.001 . . . . . . . 107 LEU H . 27547 1 497 . 1 1 107 107 LEU CA C 13 52.571 0.000 . . . . . . . 107 LEU CA . 27547 1 498 . 1 1 107 107 LEU CB C 13 40.826 0.000 . . . . . . . 107 LEU CB . 27547 1 499 . 1 1 107 107 LEU N N 15 126.918 0.045 . . . . . . . 107 LEU N . 27547 1 500 . 1 1 108 108 PRO C C 13 176.632 0.000 . . . . . . . 108 PRO C . 27547 1 501 . 1 1 108 108 PRO CB C 13 31.315 0.000 . . . . . . . 108 PRO CB . 27547 1 502 . 1 1 109 109 ASN H H 1 8.379 0.001 . . . . . . . 109 ASN H . 27547 1 503 . 1 1 109 109 ASN C C 13 175.390 0.000 . . . . . . . 109 ASN C . 27547 1 504 . 1 1 109 109 ASN CA C 13 53.038 0.008 . . . . . . . 109 ASN CA . 27547 1 505 . 1 1 109 109 ASN CB C 13 38.088 0.033 . . . . . . . 109 ASN CB . 27547 1 506 . 1 1 109 109 ASN N N 15 118.850 0.020 . . . . . . . 109 ASN N . 27547 1 507 . 1 1 110 110 ILE H H 1 8.008 0.001 . . . . . . . 110 ILE H . 27547 1 508 . 1 1 110 110 ILE C C 13 176.183 0.000 . . . . . . . 110 ILE C . 27547 1 509 . 1 1 110 110 ILE CA C 13 60.864 0.004 . . . . . . . 110 ILE CA . 27547 1 510 . 1 1 110 110 ILE CB C 13 37.739 0.031 . . . . . . . 110 ILE CB . 27547 1 511 . 1 1 110 110 ILE N N 15 121.407 0.008 . . . . . . . 110 ILE N . 27547 1 512 . 1 1 111 111 GLN H H 1 8.281 0.001 . . . . . . . 111 GLN H . 27547 1 513 . 1 1 111 111 GLN C C 13 175.734 0.000 . . . . . . . 111 GLN C . 27547 1 514 . 1 1 111 111 GLN CA C 13 55.648 0.006 . . . . . . . 111 GLN CA . 27547 1 515 . 1 1 111 111 GLN CB C 13 28.619 0.001 . . . . . . . 111 GLN CB . 27547 1 516 . 1 1 111 111 GLN N N 15 123.995 0.013 . . . . . . . 111 GLN N . 27547 1 517 . 1 1 112 112 ALA H H 1 8.134 0.001 . . . . . . . 112 ALA H . 27547 1 518 . 1 1 112 112 ALA C C 13 177.639 0.000 . . . . . . . 112 ALA C . 27547 1 519 . 1 1 112 112 ALA CA C 13 52.299 0.000 . . . . . . . 112 ALA CA . 27547 1 520 . 1 1 112 112 ALA CB C 13 18.431 0.009 . . . . . . . 112 ALA CB . 27547 1 521 . 1 1 112 112 ALA N N 15 125.302 0.011 . . . . . . . 112 ALA N . 27547 1 522 . 1 1 113 113 VAL H H 1 7.915 0.003 . . . . . . . 113 VAL H . 27547 1 523 . 1 1 113 113 VAL C C 13 175.869 0.000 . . . . . . . 113 VAL C . 27547 1 524 . 1 1 113 113 VAL CA C 13 61.883 0.008 . . . . . . . 113 VAL CA . 27547 1 525 . 1 1 113 113 VAL CB C 13 31.967 0.000 . . . . . . . 113 VAL CB . 27547 1 526 . 1 1 113 113 VAL N N 15 119.245 0.027 . . . . . . . 113 VAL N . 27547 1 527 . 1 1 114 114 LEU H H 1 8.129 0.001 . . . . . . . 114 LEU H . 27547 1 528 . 1 1 114 114 LEU C C 13 176.669 0.000 . . . . . . . 114 LEU C . 27547 1 529 . 1 1 114 114 LEU CA C 13 54.404 0.002 . . . . . . . 114 LEU CA . 27547 1 530 . 1 1 114 114 LEU CB C 13 41.376 0.004 . . . . . . . 114 LEU CB . 27547 1 531 . 1 1 114 114 LEU N N 15 126.006 0.019 . . . . . . . 114 LEU N . 27547 1 532 . 1 1 115 115 LEU H H 1 8.073 0.001 . . . . . . . 115 LEU H . 27547 1 533 . 1 1 115 115 LEU CA C 13 52.464 0.000 . . . . . . . 115 LEU CA . 27547 1 534 . 1 1 115 115 LEU CB C 13 40.848 0.000 . . . . . . . 115 LEU CB . 27547 1 535 . 1 1 115 115 LEU N N 15 124.913 0.007 . . . . . . . 115 LEU N . 27547 1 536 . 1 1 116 116 PRO C C 13 176.905 0.000 . . . . . . . 116 PRO CO . 27547 1 537 . 1 1 116 116 PRO CA C 13 62.565 0.000 . . . . . . . 116 PRO CA . 27547 1 538 . 1 1 116 116 PRO CB C 13 31.290 0.000 . . . . . . . 116 PRO CB . 27547 1 539 . 1 1 117 117 LYS H H 1 8.288 0.001 . . . . . . . 117 LYS H . 27547 1 540 . 1 1 117 117 LYS C C 13 176.784 0.000 . . . . . . . 117 LYS C . 27547 1 541 . 1 1 117 117 LYS CA C 13 55.805 0.006 . . . . . . . 117 LYS CA . 27547 1 542 . 1 1 117 117 LYS CB C 13 32.273 0.000 . . . . . . . 117 LYS CB . 27547 1 543 . 1 1 117 117 LYS N N 15 122.189 0.003 . . . . . . . 117 LYS N . 27547 1 544 . 1 1 118 118 LYS H H 1 8.340 0.002 . . . . . . . 118 LYS H . 27547 1 545 . 1 1 118 118 LYS C C 13 176.676 0.000 . . . . . . . 118 LYS C . 27547 1 546 . 1 1 118 118 LYS CA C 13 55.971 0.001 . . . . . . . 118 LYS CA . 27547 1 547 . 1 1 118 118 LYS CB C 13 32.230 0.004 . . . . . . . 118 LYS CB . 27547 1 548 . 1 1 118 118 LYS N N 15 123.723 0.009 . . . . . . . 118 LYS N . 27547 1 549 . 1 1 119 119 THR H H 1 8.149 0.001 . . . . . . . 119 THR H . 27547 1 550 . 1 1 119 119 THR C C 13 174.343 0.000 . . . . . . . 119 THR C . 27547 1 551 . 1 1 119 119 THR CA C 13 61.380 0.006 . . . . . . . 119 THR CA . 27547 1 552 . 1 1 119 119 THR CB C 13 69.328 0.007 . . . . . . . 119 THR CB . 27547 1 553 . 1 1 119 119 THR N N 15 116.655 0.005 . . . . . . . 119 THR N . 27547 1 554 . 1 1 120 120 GLU H H 1 8.383 0.002 . . . . . . . 120 GLU H . 27547 1 555 . 1 1 120 120 GLU C C 13 176.103 0.000 . . . . . . . 120 GLU C . 27547 1 556 . 1 1 120 120 GLU CA C 13 55.900 0.009 . . . . . . . 120 GLU CA . 27547 1 557 . 1 1 120 120 GLU CB C 13 29.829 0.004 . . . . . . . 120 GLU CB . 27547 1 558 . 1 1 120 120 GLU N N 15 124.410 0.012 . . . . . . . 120 GLU N . 27547 1 559 . 1 1 121 121 LYS H H 1 8.310 0.001 . . . . . . . 121 LYS H . 27547 1 560 . 1 1 121 121 LYS C C 13 176.214 0.000 . . . . . . . 121 LYS C . 27547 1 561 . 1 1 121 121 LYS CA C 13 55.782 0.000 . . . . . . . 121 LYS CA . 27547 1 562 . 1 1 121 121 LYS CB C 13 32.266 0.018 . . . . . . . 121 LYS CB . 27547 1 563 . 1 1 121 121 LYS N N 15 123.688 0.014 . . . . . . . 121 LYS N . 27547 1 564 . 1 1 122 122 LYS H H 1 8.339 0.001 . . . . . . . 122 LYS H . 27547 1 565 . 1 1 122 122 LYS C C 13 175.310 0.000 . . . . . . . 122 LYS C . 27547 1 566 . 1 1 122 122 LYS CA C 13 55.844 0.008 . . . . . . . 122 LYS CA . 27547 1 567 . 1 1 122 122 LYS CB C 13 32.217 0.003 . . . . . . . 122 LYS CB . 27547 1 568 . 1 1 122 122 LYS N N 15 124.882 0.013 . . . . . . . 122 LYS N . 27547 1 569 . 1 1 123 123 ALA H H 1 7.932 0.001 . . . . . . . 123 ALA H . 27547 1 570 . 1 1 123 123 ALA CA C 13 53.415 0.000 . . . . . . . 123 ALA CA . 27547 1 571 . 1 1 123 123 ALA CB C 13 19.360 0.000 . . . . . . . 123 ALA CB . 27547 1 572 . 1 1 123 123 ALA N N 15 131.732 0.007 . . . . . . . 123 ALA N . 27547 1 stop_ save_