data_25330 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25330 _Entry.Title ; Backbone Assignment of the heterodimer HUAB from E. coli at 293K ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-12 _Entry.Accession_date 2014-11-12 _Entry.Last_release_date 2015-05-19 _Entry.Original_release_date 2015-05-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.99 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Remy 'Le Meur' . . . . 25330 2 Bertrand Castaing . . . . 25330 3 Celine Landon . . . . 25330 4 Karine Loth . . . . 25330 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25330 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 501 25330 '15N chemical shifts' 168 25330 '1H chemical shifts' 168 25330 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 2 . . 2016-03-10 2014-11-12 update BMRB 'update entry citation' 25330 1 . . 2015-05-19 2014-11-12 original author 'original release' 25330 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25328 HUA2 25330 BMRB 25329 HUB2 25330 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25330 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25924603 _Citation.Full_citation . _Citation.Title ; Backbone assignment of the three dimers of HU from Escherichia coli at 293 K: EcHUalpha2, EcHUbeta2 2 and EcHUalphabeta2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 359 _Citation.Page_last 363 _Citation.Year 2015 _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 Remy 'Le Meur' . . . . 25330 1 2 Bertrand Castaing . . . . 25330 1 3 Celine Landon . . . . 25330 1 4 Karine Loth . . . . 25330 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID E.coli 25330 1 HU 25330 1 Histone-like 25330 1 heterodimer 25330 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25330 _Assembly.ID 1 _Assembly.Name HUAB _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 HUAB_1 1 $entity_1 A . yes native no no . . . 25330 1 2 HUAB_2 2 $entity_2 A . yes native no no . . . 25330 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25330 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HUAB-A _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 ; MNKTQLIDVIAEKAELSKTQ AKAALESTLAAITESLKEGD AVQLVGFGTFKVNHRAERTG RNPQTGKEIKIAAANVPAFV SGKALKDAVK ; _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 90 _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 . MET . 25330 1 2 . ASN . 25330 1 3 . LYS . 25330 1 4 . THR . 25330 1 5 . GLN . 25330 1 6 . LEU . 25330 1 7 . ILE . 25330 1 8 . ASP . 25330 1 9 . VAL . 25330 1 10 . ILE . 25330 1 11 . ALA . 25330 1 12 . GLU . 25330 1 13 . LYS . 25330 1 14 . ALA . 25330 1 15 . GLU . 25330 1 16 . LEU . 25330 1 17 . SER . 25330 1 18 . LYS . 25330 1 19 . THR . 25330 1 20 . GLN . 25330 1 21 . ALA . 25330 1 22 . LYS . 25330 1 23 . ALA . 25330 1 24 . ALA . 25330 1 25 . LEU . 25330 1 26 . GLU . 25330 1 27 . SER . 25330 1 28 . THR . 25330 1 29 . LEU . 25330 1 30 . ALA . 25330 1 31 . ALA . 25330 1 32 . ILE . 25330 1 33 . THR . 25330 1 34 . GLU . 25330 1 35 . SER . 25330 1 36 . LEU . 25330 1 37 . LYS . 25330 1 38 . GLU . 25330 1 39 . GLY . 25330 1 40 . ASP . 25330 1 41 . ALA . 25330 1 42 . VAL . 25330 1 43 . GLN . 25330 1 44 . LEU . 25330 1 45 . VAL . 25330 1 46 . GLY . 25330 1 47 . PHE . 25330 1 48 . GLY . 25330 1 49 . THR . 25330 1 50 . PHE . 25330 1 51 . LYS . 25330 1 52 . VAL . 25330 1 53 . ASN . 25330 1 54 . HIS . 25330 1 55 . ARG . 25330 1 56 . ALA . 25330 1 57 . GLU . 25330 1 58 . ARG . 25330 1 59 . THR . 25330 1 60 . GLY . 25330 1 61 . ARG . 25330 1 62 . ASN . 25330 1 63 . PRO . 25330 1 64 . GLN . 25330 1 65 . THR . 25330 1 66 . GLY . 25330 1 67 . LYS . 25330 1 68 . GLU . 25330 1 69 . ILE . 25330 1 70 . LYS . 25330 1 71 . ILE . 25330 1 72 . ALA . 25330 1 73 . ALA . 25330 1 74 . ALA . 25330 1 75 . ASN . 25330 1 76 . VAL . 25330 1 77 . PRO . 25330 1 78 . ALA . 25330 1 79 . PHE . 25330 1 80 . VAL . 25330 1 81 . SER . 25330 1 82 . GLY . 25330 1 83 . LYS . 25330 1 84 . ALA . 25330 1 85 . LEU . 25330 1 86 . LYS . 25330 1 87 . ASP . 25330 1 88 . ALA . 25330 1 89 . VAL . 25330 1 90 . LYS . 25330 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 25330 1 . ASN 2 2 25330 1 . LYS 3 3 25330 1 . THR 4 4 25330 1 . GLN 5 5 25330 1 . LEU 6 6 25330 1 . ILE 7 7 25330 1 . ASP 8 8 25330 1 . VAL 9 9 25330 1 . ILE 10 10 25330 1 . ALA 11 11 25330 1 . GLU 12 12 25330 1 . LYS 13 13 25330 1 . ALA 14 14 25330 1 . GLU 15 15 25330 1 . LEU 16 16 25330 1 . SER 17 17 25330 1 . LYS 18 18 25330 1 . THR 19 19 25330 1 . GLN 20 20 25330 1 . ALA 21 21 25330 1 . LYS 22 22 25330 1 . ALA 23 23 25330 1 . ALA 24 24 25330 1 . LEU 25 25 25330 1 . GLU 26 26 25330 1 . SER 27 27 25330 1 . THR 28 28 25330 1 . LEU 29 29 25330 1 . ALA 30 30 25330 1 . ALA 31 31 25330 1 . ILE 32 32 25330 1 . THR 33 33 25330 1 . GLU 34 34 25330 1 . SER 35 35 25330 1 . LEU 36 36 25330 1 . LYS 37 37 25330 1 . GLU 38 38 25330 1 . GLY 39 39 25330 1 . ASP 40 40 25330 1 . ALA 41 41 25330 1 . VAL 42 42 25330 1 . GLN 43 43 25330 1 . LEU 44 44 25330 1 . VAL 45 45 25330 1 . GLY 46 46 25330 1 . PHE 47 47 25330 1 . GLY 48 48 25330 1 . THR 49 49 25330 1 . PHE 50 50 25330 1 . LYS 51 51 25330 1 . VAL 52 52 25330 1 . ASN 53 53 25330 1 . HIS 54 54 25330 1 . ARG 55 55 25330 1 . ALA 56 56 25330 1 . GLU 57 57 25330 1 . ARG 58 58 25330 1 . THR 59 59 25330 1 . GLY 60 60 25330 1 . ARG 61 61 25330 1 . ASN 62 62 25330 1 . PRO 63 63 25330 1 . GLN 64 64 25330 1 . THR 65 65 25330 1 . GLY 66 66 25330 1 . LYS 67 67 25330 1 . GLU 68 68 25330 1 . ILE 69 69 25330 1 . LYS 70 70 25330 1 . ILE 71 71 25330 1 . ALA 72 72 25330 1 . ALA 73 73 25330 1 . ALA 74 74 25330 1 . ASN 75 75 25330 1 . VAL 76 76 25330 1 . PRO 77 77 25330 1 . ALA 78 78 25330 1 . PHE 79 79 25330 1 . VAL 80 80 25330 1 . SER 81 81 25330 1 . GLY 82 82 25330 1 . LYS 83 83 25330 1 . ALA 84 84 25330 1 . LEU 85 85 25330 1 . LYS 86 86 25330 1 . ASP 87 87 25330 1 . ALA 88 88 25330 1 . VAL 89 89 25330 1 . LYS 90 90 25330 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 25330 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name HUAB-B _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 ; MNKSQLIDKIAAGADISKAA AGRALDAIIASVTESLKEGD DVALVGFGTFAVKERAARTG RNPQTGKEITIAAAKVPSFR AGKALKDAVN ; _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 90 _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 . MET . 25330 2 2 . ASN . 25330 2 3 . LYS . 25330 2 4 . SER . 25330 2 5 . GLN . 25330 2 6 . LEU . 25330 2 7 . ILE . 25330 2 8 . ASP . 25330 2 9 . LYS . 25330 2 10 . ILE . 25330 2 11 . ALA . 25330 2 12 . ALA . 25330 2 13 . GLY . 25330 2 14 . ALA . 25330 2 15 . ASP . 25330 2 16 . ILE . 25330 2 17 . SER . 25330 2 18 . LYS . 25330 2 19 . ALA . 25330 2 20 . ALA . 25330 2 21 . ALA . 25330 2 22 . GLY . 25330 2 23 . ARG . 25330 2 24 . ALA . 25330 2 25 . LEU . 25330 2 26 . ASP . 25330 2 27 . ALA . 25330 2 28 . ILE . 25330 2 29 . ILE . 25330 2 30 . ALA . 25330 2 31 . SER . 25330 2 32 . VAL . 25330 2 33 . THR . 25330 2 34 . GLU . 25330 2 35 . SER . 25330 2 36 . LEU . 25330 2 37 . LYS . 25330 2 38 . GLU . 25330 2 39 . GLY . 25330 2 40 . ASP . 25330 2 41 . ASP . 25330 2 42 . VAL . 25330 2 43 . ALA . 25330 2 44 . LEU . 25330 2 45 . VAL . 25330 2 46 . GLY . 25330 2 47 . PHE . 25330 2 48 . GLY . 25330 2 49 . THR . 25330 2 50 . PHE . 25330 2 51 . ALA . 25330 2 52 . VAL . 25330 2 53 . LYS . 25330 2 54 . GLU . 25330 2 55 . ARG . 25330 2 56 . ALA . 25330 2 57 . ALA . 25330 2 58 . ARG . 25330 2 59 . THR . 25330 2 60 . GLY . 25330 2 61 . ARG . 25330 2 62 . ASN . 25330 2 63 . PRO . 25330 2 64 . GLN . 25330 2 65 . THR . 25330 2 66 . GLY . 25330 2 67 . LYS . 25330 2 68 . GLU . 25330 2 69 . ILE . 25330 2 70 . THR . 25330 2 71 . ILE . 25330 2 72 . ALA . 25330 2 73 . ALA . 25330 2 74 . ALA . 25330 2 75 . LYS . 25330 2 76 . VAL . 25330 2 77 . PRO . 25330 2 78 . SER . 25330 2 79 . PHE . 25330 2 80 . ARG . 25330 2 81 . ALA . 25330 2 82 . GLY . 25330 2 83 . LYS . 25330 2 84 . ALA . 25330 2 85 . LEU . 25330 2 86 . LYS . 25330 2 87 . ASP . 25330 2 88 . ALA . 25330 2 89 . VAL . 25330 2 90 . ASN . 25330 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 25330 2 . ASN 2 2 25330 2 . LYS 3 3 25330 2 . SER 4 4 25330 2 . GLN 5 5 25330 2 . LEU 6 6 25330 2 . ILE 7 7 25330 2 . ASP 8 8 25330 2 . LYS 9 9 25330 2 . ILE 10 10 25330 2 . ALA 11 11 25330 2 . ALA 12 12 25330 2 . GLY 13 13 25330 2 . ALA 14 14 25330 2 . ASP 15 15 25330 2 . ILE 16 16 25330 2 . SER 17 17 25330 2 . LYS 18 18 25330 2 . ALA 19 19 25330 2 . ALA 20 20 25330 2 . ALA 21 21 25330 2 . GLY 22 22 25330 2 . ARG 23 23 25330 2 . ALA 24 24 25330 2 . LEU 25 25 25330 2 . ASP 26 26 25330 2 . ALA 27 27 25330 2 . ILE 28 28 25330 2 . ILE 29 29 25330 2 . ALA 30 30 25330 2 . SER 31 31 25330 2 . VAL 32 32 25330 2 . THR 33 33 25330 2 . GLU 34 34 25330 2 . SER 35 35 25330 2 . LEU 36 36 25330 2 . LYS 37 37 25330 2 . GLU 38 38 25330 2 . GLY 39 39 25330 2 . ASP 40 40 25330 2 . ASP 41 41 25330 2 . VAL 42 42 25330 2 . ALA 43 43 25330 2 . LEU 44 44 25330 2 . VAL 45 45 25330 2 . GLY 46 46 25330 2 . PHE 47 47 25330 2 . GLY 48 48 25330 2 . THR 49 49 25330 2 . PHE 50 50 25330 2 . ALA 51 51 25330 2 . VAL 52 52 25330 2 . LYS 53 53 25330 2 . GLU 54 54 25330 2 . ARG 55 55 25330 2 . ALA 56 56 25330 2 . ALA 57 57 25330 2 . ARG 58 58 25330 2 . THR 59 59 25330 2 . GLY 60 60 25330 2 . ARG 61 61 25330 2 . ASN 62 62 25330 2 . PRO 63 63 25330 2 . GLN 64 64 25330 2 . THR 65 65 25330 2 . GLY 66 66 25330 2 . LYS 67 67 25330 2 . GLU 68 68 25330 2 . ILE 69 69 25330 2 . THR 70 70 25330 2 . ILE 71 71 25330 2 . ALA 72 72 25330 2 . ALA 73 73 25330 2 . ALA 74 74 25330 2 . LYS 75 75 25330 2 . VAL 76 76 25330 2 . PRO 77 77 25330 2 . SER 78 78 25330 2 . PHE 79 79 25330 2 . ARG 80 80 25330 2 . ALA 81 81 25330 2 . GLY 82 82 25330 2 . LYS 83 83 25330 2 . ALA 84 84 25330 2 . LEU 85 85 25330 2 . LYS 86 86 25330 2 . ASP 87 87 25330 2 . ALA 88 88 25330 2 . VAL 89 89 25330 2 . ASN 90 90 25330 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 25330 _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 . . . . . . . . . . . . . 25330 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' E.coli . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25330 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 25330 _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' . . . Escherichia coli . . . . . . pJES-hupA . . . 25330 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pJES-hupB . . . 25330 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25330 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 HUAB-A '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 25330 1 2 HUAB-B 'natural abundance' . . 2 $entity_2 . . 0.75 . . mM . . . . 25330 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25330 1 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25330 1 5 DTT 'natural abundance' . . . . . . 0.05 . . mM . . . . 25330 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25330 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25330 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25330 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 HUAB-A 'natural abundance' . . 1 $entity_1 . . 0.75 . . mM . . . . 25330 2 2 HUAB-B '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 25330 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25330 2 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25330 2 5 DTT 'natural abundance' . . . . . . 0.05 . . mM . . . . 25330 2 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25330 2 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25330 2 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 25330 _Sample_condition_list.ID 1 _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' 0.22 . M 25330 1 pH 7 . pH 25330 1 pressure 1 . atm 25330 1 temperature 293 . K 25330 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25330 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25330 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25330 1 processing 25330 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 25330 _Software.ID 2 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25330 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25330 2 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 25330 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 25330 _NMR_spectrometer_list.ID 1 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 . 700 . . . 25330 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 25330 _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 . . . . . . . . . . . . . . . . 25330 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25330 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25330 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25330 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25330 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25330 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25330 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25330 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25330 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25330 1 11 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25330 1 12 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25330 1 13 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25330 1 14 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25330 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 25330 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25330 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25330 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25330 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 25330 _Assigned_chem_shift_list.ID 1 _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' . . . 25330 1 3 '3D HNCO' . . . 25330 1 5 '3D HNCA' . . . 25330 1 7 '3D HNCACB' . . . 25330 1 9 '3D CBCA(CO)NH' . . . 25330 1 11 '3D HN(CO)CA' . . . 25330 1 13 '3D HN(CA)CO' . . . 25330 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.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 C C 13 172.050 0.2 . 1 . . . . 1 met C . 25330 1 2 . 1 1 1 1 MET CB C 13 35.636 0.2 . 1 . . . . 1 met CB . 25330 1 3 . 1 1 2 2 ASN H H 1 8.528 0.01 . 1 . . . . 2 asn HN . 25330 1 4 . 1 1 2 2 ASN C C 13 175.413 0.2 . 1 . . . . 2 asn C . 25330 1 5 . 1 1 2 2 ASN CA C 13 50.344 0.2 . 1 . . . . 2 asn CA . 25330 1 6 . 1 1 2 2 ASN CB C 13 39.840 0.2 . 1 . . . . 2 asn CB . 25330 1 7 . 1 1 2 2 ASN N N 15 125.013 0.2 . 1 . . . . 2 asn N . 25330 1 8 . 1 1 3 3 LYS H H 1 8.498 0.01 . 1 . . . . 3 lys HN . 25330 1 9 . 1 1 3 3 LYS C C 13 175.631 0.2 . 1 . . . . 3 lys C . 25330 1 10 . 1 1 3 3 LYS CA C 13 60.705 0.2 . 1 . . . . 3 lys CA . 25330 1 11 . 1 1 3 3 LYS CB C 13 32.847 0.2 . 1 . . . . 3 lys CB . 25330 1 12 . 1 1 3 3 LYS N N 15 117.354 0.2 . 1 . . . . 3 lys N . 25330 1 13 . 1 1 4 4 THR H H 1 7.861 0.01 . 1 . . . . 4 thr HN . 25330 1 14 . 1 1 4 4 THR C C 13 176.765 0.2 . 1 . . . . 4 thr C . 25330 1 15 . 1 1 4 4 THR CA C 13 66.456 0.2 . 1 . . . . 4 thr CA . 25330 1 16 . 1 1 4 4 THR CB C 13 67.995 0.2 . 1 . . . . 4 thr CB . 25330 1 17 . 1 1 4 4 THR N N 15 113.585 0.2 . 1 . . . . 4 thr N . 25330 1 18 . 1 1 5 5 GLN H H 1 8.304 0.01 . 1 . . . . 5 gln HN . 25330 1 19 . 1 1 5 5 GLN C C 13 179.013 0.2 . 1 . . . . 5 gln C . 25330 1 20 . 1 1 5 5 GLN CA C 13 58.106 0.2 . 1 . . . . 5 gln CA . 25330 1 21 . 1 1 5 5 GLN N N 15 120.287 0.2 . 1 . . . . 5 gln N . 25330 1 22 . 1 1 6 6 LEU H H 1 8.317 0.01 . 1 . . . . 6 leu HN . 25330 1 23 . 1 1 6 6 LEU C C 13 178.316 0.2 . 1 . . . . 6 leu C . 25330 1 24 . 1 1 6 6 LEU CA C 13 57.573 0.2 . 1 . . . . 6 leu CA . 25330 1 25 . 1 1 6 6 LEU CB C 13 44.324 0.2 . 1 . . . . 6 leu CB . 25330 1 26 . 1 1 6 6 LEU N N 15 121.463 0.2 . 1 . . . . 6 leu N . 25330 1 27 . 1 1 7 7 ILE H H 1 8.330 0.01 . 1 . . . . 7 ile HN . 25330 1 28 . 1 1 7 7 ILE C C 13 176.911 0.2 . 1 . . . . 7 ile C . 25330 1 29 . 1 1 7 7 ILE CA C 13 66.293 0.2 . 1 . . . . 7 ile CA . 25330 1 30 . 1 1 7 7 ILE CB C 13 37.419 0.2 . 1 . . . . 7 ile CB . 25330 1 31 . 1 1 7 7 ILE N N 15 119.691 0.2 . 1 . . . . 7 ile N . 25330 1 32 . 1 1 8 8 ASP H H 1 7.214 0.01 . 1 . . . . 8 asp HN . 25330 1 33 . 1 1 8 8 ASP C C 13 179.552 0.2 . 1 . . . . 8 asp C . 25330 1 34 . 1 1 8 8 ASP CA C 13 57.247 0.2 . 1 . . . . 8 asp CA . 25330 1 35 . 1 1 8 8 ASP CB C 13 39.668 0.2 . 1 . . . . 8 asp CB . 25330 1 36 . 1 1 8 8 ASP N N 15 118.198 0.2 . 1 . . . . 8 asp N . 25330 1 37 . 1 1 9 9 VAL H H 1 7.751 0.01 . 1 . . . . 9 val HN . 25330 1 38 . 1 1 9 9 VAL C C 13 178.200 0.2 . 1 . . . . 9 val C . 25330 1 39 . 1 1 9 9 VAL CA C 13 65.798 0.2 . 1 . . . . 9 val CA . 25330 1 40 . 1 1 9 9 VAL CB C 13 33.031 0.2 . 1 . . . . 9 val CB . 25330 1 41 . 1 1 9 9 VAL N N 15 121.119 0.2 . 1 . . . . 9 val N . 25330 1 42 . 1 1 10 10 ILE H H 1 8.664 0.01 . 1 . . . . 10 ile HN . 25330 1 43 . 1 1 10 10 ILE C C 13 177.489 0.2 . 1 . . . . 10 ile C . 25330 1 44 . 1 1 10 10 ILE CA C 13 65.459 0.2 . 1 . . . . 10 ile CA . 25330 1 45 . 1 1 10 10 ILE N N 15 119.521 0.2 . 1 . . . . 10 ile N . 25330 1 46 . 1 1 11 11 ALA H H 1 8.369 0.01 . 1 . . . . 11 ala HN . 25330 1 47 . 1 1 11 11 ALA C C 13 179.465 0.2 . 1 . . . . 11 ala C . 25330 1 48 . 1 1 11 11 ALA CA C 13 55.484 0.2 . 1 . . . . 11 ala CA . 25330 1 49 . 1 1 11 11 ALA CB C 13 17.201 0.2 . 1 . . . . 11 ala CB . 25330 1 50 . 1 1 11 11 ALA N N 15 120.434 0.2 . 1 . . . . 11 ala N . 25330 1 51 . 1 1 12 12 GLU H H 1 7.415 0.01 . 1 . . . . 12 glu HN . 25330 1 52 . 1 1 12 12 GLU C C 13 179.761 0.2 . 1 . . . . 12 glu C . 25330 1 53 . 1 1 12 12 GLU CA C 13 58.470 0.2 . 1 . . . . 12 glu CA . 25330 1 54 . 1 1 12 12 GLU CB C 13 29.671 0.2 . 1 . . . . 12 glu CB . 25330 1 55 . 1 1 12 12 GLU N N 15 115.056 0.2 . 1 . . . . 12 glu N . 25330 1 56 . 1 1 13 13 LYS H H 1 8.808 0.01 . 1 . . . . 13 lys HN . 25330 1 57 . 1 1 13 13 LYS C C 13 178.367 0.2 . 1 . . . . 13 lys C . 25330 1 58 . 1 1 13 13 LYS CA C 13 58.343 0.2 . 1 . . . . 13 lys CA . 25330 1 59 . 1 1 13 13 LYS N N 15 117.146 0.2 . 1 . . . . 13 lys N . 25330 1 60 . 1 1 14 14 ALA H H 1 8.687 0.01 . 1 . . . . 14 ala HN . 25330 1 61 . 1 1 14 14 ALA C C 13 174.951 0.2 . 1 . . . . 14 ala C . 25330 1 62 . 1 1 14 14 ALA CA C 13 50.819 0.2 . 1 . . . . 14 ala CA . 25330 1 63 . 1 1 14 14 ALA CB C 13 17.744 0.2 . 1 . . . . 14 ala CB . 25330 1 64 . 1 1 14 14 ALA N N 15 116.883 0.2 . 1 . . . . 14 ala N . 25330 1 65 . 1 1 15 15 GLU H H 1 7.323 0.01 . 1 . . . . 15 glu HN . 25330 1 66 . 1 1 15 15 GLU C C 13 174.614 0.2 . 1 . . . . 15 glu C . 25330 1 67 . 1 1 15 15 GLU CA C 13 56.638 0.2 . 1 . . . . 15 glu CA . 25330 1 68 . 1 1 15 15 GLU CB C 13 26.498 0.2 . 1 . . . . 15 glu CB . 25330 1 69 . 1 1 15 15 GLU N N 15 116.033 0.2 . 1 . . . . 15 glu N . 25330 1 70 . 1 1 16 16 LEU H H 1 8.269 0.01 . 1 . . . . 16 leu HN . 25330 1 71 . 1 1 16 16 LEU C C 13 176.816 0.2 . 1 . . . . 16 leu C . 25330 1 72 . 1 1 16 16 LEU CA C 13 51.637 0.2 . 1 . . . . 16 leu CA . 25330 1 73 . 1 1 16 16 LEU CB C 13 46.633 0.2 . 1 . . . . 16 leu CB . 25330 1 74 . 1 1 16 16 LEU N N 15 118.303 0.2 . 1 . . . . 16 leu N . 25330 1 75 . 1 1 17 17 SER H H 1 8.591 0.01 . 1 . . . . 17 ser HN . 25330 1 76 . 1 1 17 17 SER CA C 13 56.586 0.2 . 1 . . . . 17 ser CA . 25330 1 77 . 1 1 17 17 SER CB C 13 64.355 0.2 . 1 . . . . 17 ser CB . 25330 1 78 . 1 1 17 17 SER N N 15 114.526 0.2 . 1 . . . . 17 ser N . 25330 1 79 . 1 1 18 18 LYS H H 1 9.072 0.01 . 1 . . . . 18 lys HN . 25330 1 80 . 1 1 18 18 LYS C C 13 179.552 0.2 . 1 . . . . 18 lys C . 25330 1 81 . 1 1 18 18 LYS CA C 13 60.463 0.2 . 1 . . . . 18 lys CA . 25330 1 82 . 1 1 18 18 LYS N N 15 120.602 0.2 . 1 . . . . 18 lys N . 25330 1 83 . 1 1 19 19 THR H H 1 8.078 0.01 . 1 . . . . 19 thr HN . 25330 1 84 . 1 1 19 19 THR C C 13 177.391 0.2 . 1 . . . . 19 thr C . 25330 1 85 . 1 1 19 19 THR CA C 13 66.112 0.2 . 1 . . . . 19 thr CA . 25330 1 86 . 1 1 19 19 THR CB C 13 68.455 0.2 . 1 . . . . 19 thr CB . 25330 1 87 . 1 1 19 19 THR N N 15 113.591 0.2 . 1 . . . . 19 thr N . 25330 1 88 . 1 1 20 20 GLN H H 1 7.794 0.01 . 1 . . . . 20 gln HN . 25330 1 89 . 1 1 20 20 GLN C C 13 178.153 0.2 . 1 . . . . 20 gln C . 25330 1 90 . 1 1 20 20 GLN CA C 13 57.933 0.2 . 1 . . . . 20 gln CA . 25330 1 91 . 1 1 20 20 GLN CB C 13 29.808 0.2 . 1 . . . . 20 gln CB . 25330 1 92 . 1 1 20 20 GLN N N 15 122.433 0.2 . 1 . . . . 20 gln N . 25330 1 93 . 1 1 21 21 ALA H H 1 8.926 0.01 . 1 . . . . 21 ala HN . 25330 1 94 . 1 1 21 21 ALA C C 13 178.660 0.2 . 1 . . . . 21 ala C . 25330 1 95 . 1 1 21 21 ALA CA C 13 54.735 0.2 . 1 . . . . 21 ala CA . 25330 1 96 . 1 1 21 21 ALA CB C 13 19.217 0.2 . 1 . . . . 21 ala CB . 25330 1 97 . 1 1 21 21 ALA N N 15 121.734 0.2 . 1 . . . . 21 ala N . 25330 1 98 . 1 1 22 22 LYS H H 1 8.175 0.01 . 1 . . . . 22 lys HN . 25330 1 99 . 1 1 22 22 LYS C C 13 177.821 0.2 . 1 . . . . 22 lys C . 25330 1 100 . 1 1 22 22 LYS CA C 13 59.530 0.2 . 1 . . . . 22 lys CA . 25330 1 101 . 1 1 22 22 LYS CB C 13 32.210 0.2 . 1 . . . . 22 lys CB . 25330 1 102 . 1 1 22 22 LYS N N 15 118.421 0.2 . 1 . . . . 22 lys N . 25330 1 103 . 1 1 23 23 ALA H H 1 7.792 0.01 . 1 . . . . 23 ala HN . 25330 1 104 . 1 1 23 23 ALA C C 13 181.274 0.2 . 1 . . . . 23 ala C . 25330 1 105 . 1 1 23 23 ALA CA C 13 54.301 0.2 . 1 . . . . 23 ala CA . 25330 1 106 . 1 1 23 23 ALA CB C 13 17.808 0.2 . 1 . . . . 23 ala CB . 25330 1 107 . 1 1 23 23 ALA N N 15 120.209 0.2 . 1 . . . . 23 ala N . 25330 1 108 . 1 1 24 24 ALA H H 1 9.096 0.01 . 1 . . . . 24 ala HN . 25330 1 109 . 1 1 24 24 ALA C C 13 180.362 0.2 . 1 . . . . 24 ala C . 25330 1 110 . 1 1 24 24 ALA CA C 13 54.666 0.2 . 1 . . . . 24 ala CA . 25330 1 111 . 1 1 24 24 ALA CB C 13 16.647 0.2 . 1 . . . . 24 ala CB . 25330 1 112 . 1 1 24 24 ALA N N 15 122.524 0.2 . 1 . . . . 24 ala N . 25330 1 113 . 1 1 25 25 LEU H H 1 8.431 0.01 . 1 . . . . 25 leu HN . 25330 1 114 . 1 1 25 25 LEU C C 13 178.238 0.2 . 1 . . . . 25 leu C . 25330 1 115 . 1 1 25 25 LEU CA C 13 57.979 0.2 . 1 . . . . 25 leu CA . 25330 1 116 . 1 1 25 25 LEU CB C 13 40.503 0.2 . 1 . . . . 25 leu CB . 25330 1 117 . 1 1 25 25 LEU N N 15 120.698 0.2 . 1 . . . . 25 leu N . 25330 1 118 . 1 1 26 26 GLU H H 1 8.867 0.01 . 1 . . . . 26 glu HN . 25330 1 119 . 1 1 26 26 GLU C C 13 180.675 0.2 . 1 . . . . 26 glu C . 25330 1 120 . 1 1 26 26 GLU CA C 13 59.160 0.2 . 1 . . . . 26 glu CA . 25330 1 121 . 1 1 26 26 GLU N N 15 117.496 0.2 . 1 . . . . 26 glu N . 25330 1 122 . 1 1 27 27 SER H H 1 8.713 0.01 . 1 . . . . 27 ser HN . 25330 1 123 . 1 1 27 27 SER C C 13 176.498 0.2 . 1 . . . . 27 ser C . 25330 1 124 . 1 1 27 27 SER CA C 13 62.186 0.2 . 1 . . . . 27 ser CA . 25330 1 125 . 1 1 27 27 SER CB C 13 62.847 0.2 . 1 . . . . 27 ser CB . 25330 1 126 . 1 1 27 27 SER N N 15 114.775 0.2 . 1 . . . . 27 ser N . 25330 1 127 . 1 1 28 28 THR H H 1 7.763 0.01 . 1 . . . . 28 thr HN . 25330 1 128 . 1 1 28 28 THR C C 13 175.342 0.2 . 1 . . . . 28 thr C . 25330 1 129 . 1 1 28 28 THR CA C 13 67.482 0.2 . 1 . . . . 28 thr CA . 25330 1 130 . 1 1 28 28 THR N N 15 120.776 0.2 . 1 . . . . 28 thr N . 25330 1 131 . 1 1 29 29 LEU H H 1 7.679 0.01 . 1 . . . . 29 leu HN . 25330 1 132 . 1 1 29 29 LEU C C 13 180.425 0.2 . 1 . . . . 29 leu C . 25330 1 133 . 1 1 29 29 LEU CA C 13 57.002 0.2 . 1 . . . . 29 leu CA . 25330 1 134 . 1 1 29 29 LEU CB C 13 38.484 0.2 . 1 . . . . 29 leu CB . 25330 1 135 . 1 1 29 29 LEU N N 15 117.876 0.2 . 1 . . . . 29 leu N . 25330 1 136 . 1 1 30 30 ALA H H 1 8.430 0.01 . 1 . . . . 30 ala HN . 25330 1 137 . 1 1 30 30 ALA C C 13 179.681 0.2 . 1 . . . . 30 ala C . 25330 1 138 . 1 1 30 30 ALA CA C 13 54.677 0.2 . 1 . . . . 30 ala CA . 25330 1 139 . 1 1 30 30 ALA CB C 13 17.870 0.2 . 1 . . . . 30 ala CB . 25330 1 140 . 1 1 30 30 ALA N N 15 122.715 0.2 . 1 . . . . 30 ala N . 25330 1 141 . 1 1 31 31 ALA H H 1 7.991 0.01 . 1 . . . . 31 ala HN . 25330 1 142 . 1 1 31 31 ALA C C 13 180.863 0.2 . 1 . . . . 31 ala C . 25330 1 143 . 1 1 31 31 ALA CA C 13 54.277 0.2 . 1 . . . . 31 ala CA . 25330 1 144 . 1 1 31 31 ALA CB C 13 17.794 0.2 . 1 . . . . 31 ala CB . 25330 1 145 . 1 1 31 31 ALA N N 15 120.401 0.2 . 1 . . . . 31 ala N . 25330 1 146 . 1 1 32 32 ILE H H 1 7.939 0.01 . 1 . . . . 32 ile HN . 25330 1 147 . 1 1 32 32 ILE C C 13 176.774 0.2 . 1 . . . . 32 ile C . 25330 1 148 . 1 1 32 32 ILE CA C 13 65.481 0.2 . 1 . . . . 32 ile CA . 25330 1 149 . 1 1 32 32 ILE CB C 13 37.921 0.2 . 1 . . . . 32 ile CB . 25330 1 150 . 1 1 32 32 ILE N N 15 118.173 0.2 . 1 . . . . 32 ile N . 25330 1 151 . 1 1 33 33 THR H H 1 7.926 0.01 . 1 . . . . 33 thr HN . 25330 1 152 . 1 1 33 33 THR C C 13 175.111 0.2 . 1 . . . . 33 thr C . 25330 1 153 . 1 1 33 33 THR CA C 13 67.990 0.2 . 1 . . . . 33 thr CA . 25330 1 154 . 1 1 33 33 THR N N 15 115.633 0.2 . 1 . . . . 33 thr N . 25330 1 155 . 1 1 34 34 GLU H H 1 8.331 0.01 . 1 . . . . 34 glu HN . 25330 1 156 . 1 1 34 34 GLU C C 13 178.430 0.2 . 1 . . . . 34 glu C . 25330 1 157 . 1 1 34 34 GLU CA C 13 58.773 0.2 . 1 . . . . 34 glu CA . 25330 1 158 . 1 1 34 34 GLU CB C 13 29.085 0.2 . 1 . . . . 34 glu CB . 25330 1 159 . 1 1 34 34 GLU N N 15 119.176 0.2 . 1 . . . . 34 glu N . 25330 1 160 . 1 1 35 35 SER H H 1 7.728 0.01 . 1 . . . . 35 ser HN . 25330 1 161 . 1 1 35 35 SER C C 13 177.490 0.2 . 1 . . . . 35 ser C . 25330 1 162 . 1 1 35 35 SER CA C 13 62.251 0.2 . 1 . . . . 35 ser CA . 25330 1 163 . 1 1 35 35 SER CB C 13 63.460 0.2 . 1 . . . . 35 ser CB . 25330 1 164 . 1 1 35 35 SER N N 15 114.246 0.2 . 1 . . . . 35 ser N . 25330 1 165 . 1 1 36 36 LEU H H 1 8.109 0.01 . 1 . . . . 36 leu HN . 25330 1 166 . 1 1 36 36 LEU C C 13 180.995 0.2 . 1 . . . . 36 leu C . 25330 1 167 . 1 1 36 36 LEU CA C 13 57.167 0.2 . 1 . . . . 36 leu CA . 25330 1 168 . 1 1 36 36 LEU CB C 13 39.206 0.2 . 1 . . . . 36 leu CB . 25330 1 169 . 1 1 36 36 LEU N N 15 118.748 0.2 . 1 . . . . 36 leu N . 25330 1 170 . 1 1 37 37 LYS H H 1 8.539 0.01 . 1 . . . . 37 lys HN . 25330 1 171 . 1 1 37 37 LYS C C 13 177.940 0.2 . 1 . . . . 37 lys C . 25330 1 172 . 1 1 37 37 LYS CA C 13 59.644 0.2 . 1 . . . . 37 lys CA . 25330 1 173 . 1 1 37 37 LYS CB C 13 31.669 0.2 . 1 . . . . 37 lys CB . 25330 1 174 . 1 1 37 37 LYS N N 15 122.031 0.2 . 1 . . . . 37 lys N . 25330 1 175 . 1 1 38 38 GLU H H 1 7.483 0.01 . 1 . . . . 38 glu HN . 25330 1 176 . 1 1 38 38 GLU C C 13 176.770 0.2 . 1 . . . . 38 glu C . 25330 1 177 . 1 1 38 38 GLU CA C 13 55.518 0.2 . 1 . . . . 38 glu CA . 25330 1 178 . 1 1 38 38 GLU CB C 13 29.199 0.2 . 1 . . . . 38 glu CB . 25330 1 179 . 1 1 38 38 GLU N N 15 115.283 0.2 . 1 . . . . 38 glu N . 25330 1 180 . 1 1 39 39 GLY H H 1 7.985 0.01 . 1 . . . . 39 gly HN . 25330 1 181 . 1 1 39 39 GLY C C 13 173.770 0.2 . 1 . . . . 39 gly C . 25330 1 182 . 1 1 39 39 GLY CA C 13 45.082 0.2 . 1 . . . . 39 gly CA . 25330 1 183 . 1 1 39 39 GLY N N 15 107.976 0.2 . 1 . . . . 39 gly N . 25330 1 184 . 1 1 40 40 ASP H H 1 8.204 0.01 . 1 . . . . 40 asp HN . 25330 1 185 . 1 1 40 40 ASP C C 13 174.258 0.2 . 1 . . . . 40 asp C . 25330 1 186 . 1 1 40 40 ASP CA C 13 52.351 0.2 . 1 . . . . 40 asp CA . 25330 1 187 . 1 1 40 40 ASP CB C 13 41.933 0.2 . 1 . . . . 40 asp CB . 25330 1 188 . 1 1 40 40 ASP N N 15 122.135 0.2 . 1 . . . . 40 asp N . 25330 1 189 . 1 1 41 41 ALA H H 1 8.182 0.01 . 1 . . . . 41 ala HN . 25330 1 190 . 1 1 41 41 ALA C C 13 177.095 0.2 . 1 . . . . 41 ala C . 25330 1 191 . 1 1 41 41 ALA CA C 13 51.173 0.2 . 1 . . . . 41 ala CA . 25330 1 192 . 1 1 41 41 ALA CB C 13 19.689 0.2 . 1 . . . . 41 ala CB . 25330 1 193 . 1 1 41 41 ALA N N 15 124.417 0.2 . 1 . . . . 41 ala N . 25330 1 194 . 1 1 42 42 VAL H H 1 9.137 0.01 . 1 . . . . 42 val HN . 25330 1 195 . 1 1 42 42 VAL C C 13 174.713 0.2 . 1 . . . . 42 val C . 25330 1 196 . 1 1 42 42 VAL CA C 13 60.670 0.2 . 1 . . . . 42 val CA . 25330 1 197 . 1 1 42 42 VAL N N 15 120.736 0.2 . 1 . . . . 42 val N . 25330 1 198 . 1 1 43 43 GLN H H 1 8.708 0.01 . 1 . . . . 43 gln HN . 25330 1 199 . 1 1 43 43 GLN C C 13 174.385 0.2 . 1 . . . . 43 gln C . 25330 1 200 . 1 1 43 43 GLN CA C 13 54.823 0.2 . 1 . . . . 43 gln CA . 25330 1 201 . 1 1 43 43 GLN CB C 13 29.492 0.2 . 1 . . . . 43 gln CB . 25330 1 202 . 1 1 43 43 GLN N N 15 127.313 0.2 . 1 . . . . 43 gln N . 25330 1 203 . 1 1 44 44 LEU H H 1 8.665 0.01 . 1 . . . . 44 leu HN . 25330 1 204 . 1 1 44 44 LEU C C 13 175.793 0.2 . 1 . . . . 44 leu C . 25330 1 205 . 1 1 44 44 LEU CA C 13 52.098 0.2 . 1 . . . . 44 leu CA . 25330 1 206 . 1 1 44 44 LEU N N 15 126.161 0.2 . 1 . . . . 44 leu N . 25330 1 207 . 1 1 45 45 VAL H H 1 8.427 0.01 . 1 . . . . 45 val HN . 25330 1 208 . 1 1 45 45 VAL C C 13 176.268 0.2 . 1 . . . . 45 val C . 25330 1 209 . 1 1 45 45 VAL CA C 13 64.365 0.2 . 1 . . . . 45 val CA . 25330 1 210 . 1 1 45 45 VAL N N 15 125.956 0.2 . 1 . . . . 45 val N . 25330 1 211 . 1 1 46 46 GLY C C 13 173.174 0.2 . 1 . . . . 46 gly C . 25330 1 212 . 1 1 46 46 GLY CA C 13 44.897 0.2 . 1 . . . . 46 gly CA . 25330 1 213 . 1 1 47 47 PHE H H 1 8.339 0.01 . 1 . . . . 47 phe HN . 25330 1 214 . 1 1 47 47 PHE C C 13 174.001 0.2 . 1 . . . . 47 phe C . 25330 1 215 . 1 1 47 47 PHE CA C 13 58.544 0.2 . 1 . . . . 47 phe CA . 25330 1 216 . 1 1 47 47 PHE N N 15 120.594 0.2 . 1 . . . . 47 phe N . 25330 1 217 . 1 1 48 48 GLY H H 1 8.539 0.01 . 1 . . . . 48 gly HN . 25330 1 218 . 1 1 48 48 GLY C C 13 170.891 0.2 . 1 . . . . 48 gly C . 25330 1 219 . 1 1 48 48 GLY CA C 13 45.614 0.2 . 1 . . . . 48 gly CA . 25330 1 220 . 1 1 48 48 GLY N N 15 106.734 0.2 . 1 . . . . 48 gly N . 25330 1 221 . 1 1 49 49 THR H H 1 7.757 0.01 . 1 . . . . 49 thr HN . 25330 1 222 . 1 1 49 49 THR C C 13 173.951 0.2 . 1 . . . . 49 thr C . 25330 1 223 . 1 1 49 49 THR CA C 13 59.841 0.2 . 1 . . . . 49 thr CA . 25330 1 224 . 1 1 49 49 THR CB C 13 71.851 0.2 . 1 . . . . 49 thr CB . 25330 1 225 . 1 1 49 49 THR N N 15 114.795 0.2 . 1 . . . . 49 thr N . 25330 1 226 . 1 1 50 50 PHE H H 1 9.328 0.01 . 1 . . . . 50 phe HN . 25330 1 227 . 1 1 50 50 PHE C C 13 174.054 0.2 . 1 . . . . 50 phe C . 25330 1 228 . 1 1 50 50 PHE CA C 13 56.289 0.2 . 1 . . . . 50 phe CA . 25330 1 229 . 1 1 50 50 PHE CB C 13 40.964 0.2 . 1 . . . . 50 phe CB . 25330 1 230 . 1 1 50 50 PHE N N 15 124.455 0.2 . 1 . . . . 50 phe N . 25330 1 231 . 1 1 51 51 LYS H H 1 9.301 0.01 . 1 . . . . 51 lys HN . 25330 1 232 . 1 1 51 51 LYS C C 13 173.109 0.2 . 1 . . . . 51 lys C . 25330 1 233 . 1 1 51 51 LYS CA C 13 54.342 0.2 . 1 . . . . 51 lys CA . 25330 1 234 . 1 1 51 51 LYS N N 15 119.716 0.2 . 1 . . . . 51 lys N . 25330 1 235 . 1 1 52 52 VAL H H 1 8.600 0.01 . 1 . . . . 52 val HN . 25330 1 236 . 1 1 52 52 VAL C C 13 175.363 0.2 . 1 . . . . 52 val C . 25330 1 237 . 1 1 52 52 VAL CA C 13 60.903 0.2 . 1 . . . . 52 val CA . 25330 1 238 . 1 1 52 52 VAL CB C 13 33.467 0.2 . 1 . . . . 52 val CB . 25330 1 239 . 1 1 52 52 VAL N N 15 117.430 0.2 . 1 . . . . 52 val N . 25330 1 240 . 1 1 53 53 ASN H H 1 8.727 0.01 . 1 . . . . 53 asn HN . 25330 1 241 . 1 1 53 53 ASN CA C 13 50.722 0.2 . 1 . . . . 53 asn CA . 25330 1 242 . 1 1 53 53 ASN N N 15 124.845 0.2 . 1 . . . . 53 asn N . 25330 1 243 . 1 1 54 54 HIS C C 13 174.393 0.2 . 1 . . . . 54 his C . 25330 1 244 . 1 1 54 54 HIS CA C 13 55.760 0.2 . 1 . . . . 54 his CA . 25330 1 245 . 1 1 54 54 HIS CB C 13 29.897 0.2 . 1 . . . . 54 his CB . 25330 1 246 . 1 1 55 55 ARG H H 1 8.789 0.01 . 1 . . . . 55 arg HN . 25330 1 247 . 1 1 55 55 ARG C C 13 174.201 0.2 . 1 . . . . 55 arg C . 25330 1 248 . 1 1 55 55 ARG CA C 13 54.249 0.2 . 1 . . . . 55 arg CA . 25330 1 249 . 1 1 55 55 ARG CB C 13 30.995 0.2 . 1 . . . . 55 arg CB . 25330 1 250 . 1 1 55 55 ARG N N 15 129.253 0.2 . 1 . . . . 55 arg N . 25330 1 251 . 1 1 56 56 ALA H H 1 8.204 0.01 . 1 . . . . 56 ala HN . 25330 1 252 . 1 1 56 56 ALA C C 13 177.665 0.2 . 1 . . . . 56 ala C . 25330 1 253 . 1 1 56 56 ALA CA C 13 51.280 0.2 . 1 . . . . 56 ala CA . 25330 1 254 . 1 1 56 56 ALA CB C 13 19.153 0.2 . 1 . . . . 56 ala CB . 25330 1 255 . 1 1 56 56 ALA N N 15 125.993 0.2 . 1 . . . . 56 ala N . 25330 1 256 . 1 1 57 57 GLU H H 1 8.704 0.01 . 1 . . . . 57 glu HN . 25330 1 257 . 1 1 57 57 GLU C C 13 175.612 0.2 . 1 . . . . 57 glu C . 25330 1 258 . 1 1 57 57 GLU CA C 13 56.330 0.2 . 1 . . . . 57 glu CA . 25330 1 259 . 1 1 57 57 GLU CB C 13 30.081 0.2 . 1 . . . . 57 glu CB . 25330 1 260 . 1 1 57 57 GLU N N 15 121.010 0.2 . 1 . . . . 57 glu N . 25330 1 261 . 1 1 58 58 ARG H H 1 8.542 0.01 . 1 . . . . 58 arg HN . 25330 1 262 . 1 1 58 58 ARG C C 13 174.603 0.2 . 1 . . . . 58 arg C . 25330 1 263 . 1 1 58 58 ARG CA C 13 54.359 0.2 . 1 . . . . 58 arg CA . 25330 1 264 . 1 1 58 58 ARG CB C 13 32.793 0.2 . 1 . . . . 58 arg CB . 25330 1 265 . 1 1 58 58 ARG N N 15 122.405 0.2 . 1 . . . . 58 arg N . 25330 1 266 . 1 1 59 59 THR H H 1 8.470 0.01 . 1 . . . . 59 thr HN . 25330 1 267 . 1 1 59 59 THR C C 13 174.612 0.2 . 1 . . . . 59 thr C . 25330 1 268 . 1 1 59 59 THR CA C 13 60.911 0.2 . 1 . . . . 59 thr CA . 25330 1 269 . 1 1 59 59 THR CB C 13 69.920 0.2 . 1 . . . . 59 thr CB . 25330 1 270 . 1 1 59 59 THR N N 15 115.374 0.2 . 1 . . . . 59 thr N . 25330 1 271 . 1 1 60 60 GLY H H 1 8.758 0.01 . 1 . . . . 60 gly HN . 25330 1 272 . 1 1 60 60 GLY C C 13 172.601 0.2 . 1 . . . . 60 gly C . 25330 1 273 . 1 1 60 60 GLY CA C 13 43.877 0.2 . 1 . . . . 60 gly CA . 25330 1 274 . 1 1 60 60 GLY N N 15 112.593 0.2 . 1 . . . . 60 gly N . 25330 1 275 . 1 1 61 61 ARG H H 1 8.513 0.01 . 1 . . . . 61 arg HN . 25330 1 276 . 1 1 61 61 ARG C C 13 175.641 0.2 . 1 . . . . 61 arg C . 25330 1 277 . 1 1 61 61 ARG CA C 13 54.090 0.2 . 1 . . . . 61 arg CA . 25330 1 278 . 1 1 61 61 ARG CB C 13 32.225 0.2 . 1 . . . . 61 arg CB . 25330 1 279 . 1 1 61 61 ARG N N 15 120.043 0.2 . 1 . . . . 61 arg N . 25330 1 280 . 1 1 62 62 ASN H H 1 8.893 0.01 . 1 . . . . 62 asn HN . 25330 1 281 . 1 1 62 62 ASN C C 13 175.139 0.2 . 1 . . . . 62 asn C . 25330 1 282 . 1 1 62 62 ASN CA C 13 50.479 0.2 . 1 . . . . 62 asn CA . 25330 1 283 . 1 1 62 62 ASN CB C 13 38.792 0.2 . 1 . . . . 62 asn CB . 25330 1 284 . 1 1 62 62 ASN N N 15 125.574 0.2 . 1 . . . . 62 asn N . 25330 1 285 . 1 1 63 63 PRO C C 13 177.661 0.2 . 1 . . . . 63 pro C . 25330 1 286 . 1 1 63 63 PRO CA C 13 64.006 0.2 . 1 . . . . 63 pro CA . 25330 1 287 . 1 1 63 63 PRO CB C 13 31.500 0.2 . 1 . . . . 63 pro CB . 25330 1 288 . 1 1 64 64 GLN H H 1 8.247 0.01 . 1 . . . . 64 gln HN . 25330 1 289 . 1 1 64 64 GLN C C 13 177.584 0.2 . 1 . . . . 64 gln C . 25330 1 290 . 1 1 64 64 GLN CA C 13 57.511 0.2 . 1 . . . . 64 gln CA . 25330 1 291 . 1 1 64 64 GLN CB C 13 28.893 0.2 . 1 . . . . 64 gln CB . 25330 1 292 . 1 1 64 64 GLN N N 15 115.955 0.2 . 1 . . . . 64 gln N . 25330 1 293 . 1 1 65 65 THR H H 1 7.641 0.01 . 1 . . . . 65 thr HN . 25330 1 294 . 1 1 65 65 THR C C 13 176.392 0.2 . 1 . . . . 65 thr C . 25330 1 295 . 1 1 65 65 THR CA C 13 60.872 0.2 . 1 . . . . 65 thr CA . 25330 1 296 . 1 1 65 65 THR CB C 13 70.372 0.2 . 1 . . . . 65 thr CB . 25330 1 297 . 1 1 65 65 THR N N 15 106.289 0.2 . 1 . . . . 65 thr N . 25330 1 298 . 1 1 66 66 GLY H H 1 8.509 0.01 . 1 . . . . 66 gly HN . 25330 1 299 . 1 1 66 66 GLY C C 13 173.727 0.2 . 1 . . . . 66 gly C . 25330 1 300 . 1 1 66 66 GLY CA C 13 45.117 0.2 . 1 . . . . 66 gly CA . 25330 1 301 . 1 1 66 66 GLY N N 15 111.018 0.2 . 1 . . . . 66 gly N . 25330 1 302 . 1 1 67 67 LYS H H 1 7.599 0.01 . 1 . . . . 67 lys HN . 25330 1 303 . 1 1 67 67 LYS C C 13 176.084 0.2 . 1 . . . . 67 lys C . 25330 1 304 . 1 1 67 67 LYS CA C 13 55.301 0.2 . 1 . . . . 67 lys CA . 25330 1 305 . 1 1 67 67 LYS CB C 13 32.898 0.2 . 1 . . . . 67 lys CB . 25330 1 306 . 1 1 67 67 LYS N N 15 119.437 0.2 . 1 . . . . 67 lys N . 25330 1 307 . 1 1 68 68 GLU H H 1 8.660 0.01 . 1 . . . . 68 glu HN . 25330 1 308 . 1 1 68 68 GLU C C 13 176.296 0.2 . 1 . . . . 68 glu C . 25330 1 309 . 1 1 68 68 GLU CA C 13 56.550 0.2 . 1 . . . . 68 glu CA . 25330 1 310 . 1 1 68 68 GLU CB C 13 30.209 0.2 . 1 . . . . 68 glu CB . 25330 1 311 . 1 1 68 68 GLU N N 15 122.061 0.2 . 1 . . . . 68 glu N . 25330 1 312 . 1 1 69 69 ILE H H 1 8.382 0.01 . 1 . . . . 69 ile HN . 25330 1 313 . 1 1 69 69 ILE C C 13 174.437 0.2 . 1 . . . . 69 ile C . 25330 1 314 . 1 1 69 69 ILE CA C 13 59.117 0.2 . 1 . . . . 69 ile CA . 25330 1 315 . 1 1 69 69 ILE CB C 13 41.144 0.2 . 1 . . . . 69 ile CB . 25330 1 316 . 1 1 69 69 ILE N N 15 121.289 0.2 . 1 . . . . 69 ile N . 25330 1 317 . 1 1 70 70 LYS H H 1 8.485 0.01 . 1 . . . . 70 lys HN . 25330 1 318 . 1 1 70 70 LYS C C 13 175.837 0.2 . 1 . . . . 70 lys C . 25330 1 319 . 1 1 70 70 LYS CA C 13 55.097 0.2 . 1 . . . . 70 lys CA . 25330 1 320 . 1 1 70 70 LYS CB C 13 32.697 0.2 . 1 . . . . 70 lys CB . 25330 1 321 . 1 1 70 70 LYS N N 15 123.947 0.2 . 1 . . . . 70 lys N . 25330 1 322 . 1 1 71 71 ILE H H 1 8.885 0.01 . 1 . . . . 71 ile HN . 25330 1 323 . 1 1 71 71 ILE C C 13 175.169 0.2 . 1 . . . . 71 ile C . 25330 1 324 . 1 1 71 71 ILE CA C 13 60.008 0.2 . 1 . . . . 71 ile CA . 25330 1 325 . 1 1 71 71 ILE CB C 13 37.757 0.2 . 1 . . . . 71 ile CB . 25330 1 326 . 1 1 71 71 ILE N N 15 127.510 0.2 . 1 . . . . 71 ile N . 25330 1 327 . 1 1 72 72 ALA H H 1 8.348 0.01 . 1 . . . . 72 ala HN . 25330 1 328 . 1 1 72 72 ALA C C 13 177.802 0.2 . 1 . . . . 72 ala C . 25330 1 329 . 1 1 72 72 ALA CA C 13 51.998 0.2 . 1 . . . . 72 ala CA . 25330 1 330 . 1 1 72 72 ALA CB C 13 19.039 0.2 . 1 . . . . 72 ala CB . 25330 1 331 . 1 1 72 72 ALA N N 15 128.291 0.2 . 1 . . . . 72 ala N . 25330 1 332 . 1 1 73 73 ALA H H 1 8.620 0.01 . 1 . . . . 73 ala HN . 25330 1 333 . 1 1 73 73 ALA C C 13 177.288 0.2 . 1 . . . . 73 ala C . 25330 1 334 . 1 1 73 73 ALA CA C 13 51.834 0.2 . 1 . . . . 73 ala CA . 25330 1 335 . 1 1 73 73 ALA CB C 13 19.190 0.2 . 1 . . . . 73 ala CB . 25330 1 336 . 1 1 73 73 ALA N N 15 123.313 0.2 . 1 . . . . 73 ala N . 25330 1 337 . 1 1 74 74 ALA H H 1 8.407 0.01 . 1 . . . . 74 ala HN . 25330 1 338 . 1 1 74 74 ALA C C 13 175.270 0.2 . 1 . . . . 74 ala C . 25330 1 339 . 1 1 74 74 ALA CA C 13 51.527 0.2 . 1 . . . . 74 ala CA . 25330 1 340 . 1 1 74 74 ALA CB C 13 21.804 0.2 . 1 . . . . 74 ala CB . 25330 1 341 . 1 1 74 74 ALA N N 15 121.212 0.2 . 1 . . . . 74 ala N . 25330 1 342 . 1 1 75 75 ASN H H 1 9.287 0.01 . 1 . . . . 75 asn HN . 25330 1 343 . 1 1 75 75 ASN C C 13 175.849 0.2 . 1 . . . . 75 asn C . 25330 1 344 . 1 1 75 75 ASN CA C 13 51.350 0.2 . 1 . . . . 75 asn CA . 25330 1 345 . 1 1 75 75 ASN N N 15 118.509 0.2 . 1 . . . . 75 asn N . 25330 1 346 . 1 1 76 76 VAL H H 1 9.230 0.01 . 1 . . . . 76 val HN . 25330 1 347 . 1 1 76 76 VAL CA C 13 58.696 0.2 . 1 . . . . 76 val CA . 25330 1 348 . 1 1 76 76 VAL N N 15 123.713 0.2 . 1 . . . . 76 val N . 25330 1 349 . 1 1 77 77 PRO C C 13 174.621 0.2 . 1 . . . . 77 pro C . 25330 1 350 . 1 1 77 77 PRO CA C 13 61.631 0.2 . 1 . . . . 77 pro CA . 25330 1 351 . 1 1 77 77 PRO CB C 13 31.459 0.2 . 1 . . . . 77 pro CB . 25330 1 352 . 1 1 78 78 ALA H H 1 9.403 0.01 . 1 . . . . 78 ala HN . 25330 1 353 . 1 1 78 78 ALA C C 13 174.524 0.2 . 1 . . . . 78 ala C . 25330 1 354 . 1 1 78 78 ALA CA C 13 50.422 0.2 . 1 . . . . 78 ala CA . 25330 1 355 . 1 1 78 78 ALA CB C 13 22.902 0.2 . 1 . . . . 78 ala CB . 25330 1 356 . 1 1 78 78 ALA N N 15 126.006 0.2 . 1 . . . . 78 ala N . 25330 1 357 . 1 1 79 79 PHE H H 1 8.390 0.01 . 1 . . . . 79 phe HN . 25330 1 358 . 1 1 79 79 PHE C C 13 174.417 0.2 . 1 . . . . 79 phe C . 25330 1 359 . 1 1 79 79 PHE CA C 13 54.471 0.2 . 1 . . . . 79 phe CA . 25330 1 360 . 1 1 79 79 PHE CB C 13 39.759 0.2 . 1 . . . . 79 phe CB . 25330 1 361 . 1 1 79 79 PHE N N 15 118.787 0.2 . 1 . . . . 79 phe N . 25330 1 362 . 1 1 80 80 VAL H H 1 8.614 0.01 . 1 . . . . 80 val HN . 25330 1 363 . 1 1 80 80 VAL CA C 13 59.764 0.2 . 1 . . . . 80 val CA . 25330 1 364 . 1 1 80 80 VAL N N 15 129.269 0.2 . 1 . . . . 80 val N . 25330 1 365 . 1 1 81 81 SER C C 13 174.667 0.2 . 1 . . . . 81 ser C . 25330 1 366 . 1 1 81 81 SER CA C 13 59.363 0.2 . 1 . . . . 81 ser CA . 25330 1 367 . 1 1 81 81 SER CB C 13 63.968 0.2 . 1 . . . . 81 ser CB . 25330 1 368 . 1 1 82 82 GLY H H 1 8.365 0.01 . 1 . . . . 82 gly HN . 25330 1 369 . 1 1 82 82 GLY CA C 13 43.275 0.2 . 1 . . . . 82 gly CA . 25330 1 370 . 1 1 82 82 GLY N N 15 112.773 0.2 . 1 . . . . 82 gly N . 25330 1 371 . 1 1 83 83 LYS C C 13 177.689 0.2 . 1 . . . . 83 lys C . 25330 1 372 . 1 1 83 83 LYS CA C 13 59.628 0.2 . 1 . . . . 83 lys CA . 25330 1 373 . 1 1 83 83 LYS CB C 13 32.273 0.2 . 1 . . . . 83 lys CB . 25330 1 374 . 1 1 84 84 ALA H H 1 8.358 0.01 . 1 . . . . 84 ala HN . 25330 1 375 . 1 1 84 84 ALA C C 13 180.908 0.2 . 1 . . . . 84 ala C . 25330 1 376 . 1 1 84 84 ALA CA C 13 54.754 0.2 . 1 . . . . 84 ala CA . 25330 1 377 . 1 1 84 84 ALA CB C 13 17.227 0.2 . 1 . . . . 84 ala CB . 25330 1 378 . 1 1 84 84 ALA N N 15 119.385 0.2 . 1 . . . . 84 ala N . 25330 1 379 . 1 1 85 85 LEU H H 1 7.726 0.01 . 1 . . . . 85 leu HN . 25330 1 380 . 1 1 85 85 LEU C C 13 178.280 0.2 . 1 . . . . 85 leu C . 25330 1 381 . 1 1 85 85 LEU CA C 13 56.974 0.2 . 1 . . . . 85 leu CA . 25330 1 382 . 1 1 85 85 LEU CB C 13 42.114 0.2 . 1 . . . . 85 leu CB . 25330 1 383 . 1 1 85 85 LEU N N 15 119.564 0.2 . 1 . . . . 85 leu N . 25330 1 384 . 1 1 86 86 LYS H H 1 7.643 0.01 . 1 . . . . 86 lys HN . 25330 1 385 . 1 1 86 86 LYS C C 13 179.921 0.2 . 1 . . . . 86 lys C . 25330 1 386 . 1 1 86 86 LYS CA C 13 60.136 0.2 . 1 . . . . 86 lys CA . 25330 1 387 . 1 1 86 86 LYS CB C 13 32.126 0.2 . 1 . . . . 86 lys CB . 25330 1 388 . 1 1 86 86 LYS N N 15 116.300 0.2 . 1 . . . . 86 lys N . 25330 1 389 . 1 1 87 87 ASP H H 1 8.591 0.01 . 1 . . . . 87 asp HN . 25330 1 390 . 1 1 87 87 ASP C C 13 178.030 0.2 . 1 . . . . 87 asp C . 25330 1 391 . 1 1 87 87 ASP CA C 13 56.010 0.2 . 1 . . . . 87 asp CA . 25330 1 392 . 1 1 87 87 ASP CB C 13 39.711 0.2 . 1 . . . . 87 asp CB . 25330 1 393 . 1 1 87 87 ASP N N 15 117.490 0.2 . 1 . . . . 87 asp N . 25330 1 394 . 1 1 88 88 ALA H H 1 7.716 0.01 . 1 . . . . 88 ala HN . 25330 1 395 . 1 1 88 88 ALA C C 13 178.973 0.2 . 1 . . . . 88 ala C . 25330 1 396 . 1 1 88 88 ALA CA C 13 53.746 0.2 . 1 . . . . 88 ala CA . 25330 1 397 . 1 1 88 88 ALA CB C 13 18.790 0.2 . 1 . . . . 88 ala CB . 25330 1 398 . 1 1 88 88 ALA N N 15 120.284 0.2 . 1 . . . . 88 ala N . 25330 1 399 . 1 1 89 89 VAL H H 1 7.147 0.01 . 1 . . . . 89 val HN . 25330 1 400 . 1 1 89 89 VAL C C 13 174.323 0.2 . 1 . . . . 89 val C . 25330 1 401 . 1 1 89 89 VAL CA C 13 61.051 0.2 . 1 . . . . 89 val CA . 25330 1 402 . 1 1 89 89 VAL CB C 13 31.727 0.2 . 1 . . . . 89 val CB . 25330 1 403 . 1 1 89 89 VAL N N 15 108.456 0.2 . 1 . . . . 89 val N . 25330 1 404 . 1 1 90 90 LYS H H 1 6.996 0.01 . 1 . . . . 90 lys HN . 25330 1 405 . 1 1 90 90 LYS C C 13 181.365 0.2 . 1 . . . . 90 lys C . 25330 1 406 . 1 1 90 90 LYS CA C 13 58.178 0.2 . 1 . . . . 90 lys CA . 25330 1 407 . 1 1 90 90 LYS CB C 13 32.770 0.2 . 1 . . . . 90 lys CB . 25330 1 408 . 1 1 90 90 LYS N N 15 124.258 0.2 . 1 . . . . 90 lys N . 25330 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25330 _Assigned_chem_shift_list.ID 2 _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 2 '2D 1H-15N HSQC' . . . 25330 2 4 '3D HNCO' . . . 25330 2 6 '3D HNCA' . . . 25330 2 8 '3D HNCACB' . . . 25330 2 10 '3D CBCA(CO)NH' . . . 25330 2 12 '3D HN(CO)CA' . . . 25330 2 14 '3D HN(CA)CO' . . . 25330 2 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.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 . 2 2 1 1 MET C C 13 172.197 0.2 . 1 . . . . 1 met C . 25330 2 2 . 2 2 1 1 MET CA C 13 55.540 0.2 . 1 . . . . 1 met CA . 25330 2 3 . 2 2 1 1 MET CB C 13 34.925 0.2 . 1 . . . . 1 met CB . 25330 2 4 . 2 2 2 2 ASN H H 1 8.732 0.01 . 1 . . . . 2 asn HN . 25330 2 5 . 2 2 2 2 ASN C C 13 175.419 0.2 . 1 . . . . 2 asn C . 25330 2 6 . 2 2 2 2 ASN CA C 13 51.040 0.2 . 1 . . . . 2 asn CA . 25330 2 7 . 2 2 2 2 ASN CB C 13 39.848 0.2 . 1 . . . . 2 asn CB . 25330 2 8 . 2 2 2 2 ASN N N 15 126.192 0.2 . 1 . . . . 2 asn N . 25330 2 9 . 2 2 3 3 LYS H H 1 8.496 0.01 . 1 . . . . 3 lys HN . 25330 2 10 . 2 2 3 3 LYS C C 13 177.306 0.2 . 1 . . . . 3 lys C . 25330 2 11 . 2 2 3 3 LYS CA C 13 61.193 0.2 . 1 . . . . 3 lys CA . 25330 2 12 . 2 2 3 3 LYS CB C 13 33.104 0.2 . 1 . . . . 3 lys CB . 25330 2 13 . 2 2 3 3 LYS N N 15 118.208 0.2 . 1 . . . . 3 lys N . 25330 2 14 . 2 2 4 4 SER H H 1 8.191 0.01 . 1 . . . . 4 ser HN . 25330 2 15 . 2 2 4 4 SER C C 13 177.182 0.2 . 1 . . . . 4 ser C . 25330 2 16 . 2 2 4 4 SER CA C 13 62.124 0.2 . 1 . . . . 4 ser CA . 25330 2 17 . 2 2 4 4 SER CB C 13 62.569 0.2 . 1 . . . . 4 ser CB . 25330 2 18 . 2 2 4 4 SER N N 15 113.600 0.2 . 1 . . . . 4 ser N . 25330 2 19 . 2 2 5 5 GLN H H 1 8.357 0.01 . 1 . . . . 5 gln HN . 25330 2 20 . 2 2 5 5 GLN C C 13 179.362 0.2 . 1 . . . . 5 gln C . 25330 2 21 . 2 2 5 5 GLN CA C 13 58.481 0.2 . 1 . . . . 5 gln CA . 25330 2 22 . 2 2 5 5 GLN CB C 13 29.928 0.2 . 1 . . . . 5 gln CB . 25330 2 23 . 2 2 5 5 GLN N N 15 120.309 0.2 . 1 . . . . 5 gln N . 25330 2 24 . 2 2 6 6 LEU H H 1 8.302 0.01 . 1 . . . . 6 leu HN . 25330 2 25 . 2 2 6 6 LEU C C 13 178.609 0.2 . 1 . . . . 6 leu C . 25330 2 26 . 2 2 6 6 LEU CA C 13 58.306 0.2 . 1 . . . . 6 leu CA . 25330 2 27 . 2 2 6 6 LEU CB C 13 38.594 0.2 . 1 . . . . 6 leu CB . 25330 2 28 . 2 2 6 6 LEU N N 15 122.524 0.2 . 1 . . . . 6 leu N . 25330 2 29 . 2 2 7 7 ILE H H 1 8.600 0.01 . 1 . . . . 7 ile HN . 25330 2 30 . 2 2 7 7 ILE C C 13 177.477 0.2 . 1 . . . . 7 ile C . 25330 2 31 . 2 2 7 7 ILE CA C 13 66.958 0.2 . 1 . . . . 7 ile CA . 25330 2 32 . 2 2 7 7 ILE CB C 13 37.279 0.2 . 1 . . . . 7 ile CB . 25330 2 33 . 2 2 7 7 ILE N N 15 120.789 0.2 . 1 . . . . 7 ile N . 25330 2 34 . 2 2 8 8 ASP H H 1 7.568 0.01 . 1 . . . . 8 asp HN . 25330 2 35 . 2 2 8 8 ASP C C 13 179.986 0.2 . 1 . . . . 8 asp C . 25330 2 36 . 2 2 8 8 ASP CA C 13 58.091 0.2 . 1 . . . . 8 asp CA . 25330 2 37 . 2 2 8 8 ASP CB C 13 39.989 0.2 . 1 . . . . 8 asp CB . 25330 2 38 . 2 2 8 8 ASP N N 15 118.920 0.2 . 1 . . . . 8 asp N . 25330 2 39 . 2 2 9 9 LYS H H 1 7.618 0.01 . 1 . . . . 9 lys HN . 25330 2 40 . 2 2 9 9 LYS C C 13 180.248 0.2 . 1 . . . . 9 lys C . 25330 2 41 . 2 2 9 9 LYS CA C 13 58.816 0.2 . 1 . . . . 9 lys CA . 25330 2 42 . 2 2 9 9 LYS CB C 13 33.203 0.2 . 1 . . . . 9 lys CB . 25330 2 43 . 2 2 9 9 LYS N N 15 119.845 0.2 . 1 . . . . 9 lys N . 25330 2 44 . 2 2 10 10 ILE H H 1 8.640 0.01 . 1 . . . . 10 ile HN . 25330 2 45 . 2 2 10 10 ILE C C 13 177.181 0.2 . 1 . . . . 10 ile C . 25330 2 46 . 2 2 10 10 ILE CA C 13 65.718 0.2 . 1 . . . . 10 ile CA . 25330 2 47 . 2 2 10 10 ILE N N 15 123.753 0.2 . 1 . . . . 10 ile N . 25330 2 48 . 2 2 11 11 ALA H H 1 8.573 0.01 . 1 . . . . 11 ala HN . 25330 2 49 . 2 2 11 11 ALA C C 13 179.733 0.2 . 1 . . . . 11 ala C . 25330 2 50 . 2 2 11 11 ALA CA C 13 55.541 0.2 . 1 . . . . 11 ala CA . 25330 2 51 . 2 2 11 11 ALA CB C 13 17.817 0.2 . 1 . . . . 11 ala CB . 25330 2 52 . 2 2 11 11 ALA N N 15 121.768 0.2 . 1 . . . . 11 ala N . 25330 2 53 . 2 2 12 12 ALA H H 1 7.512 0.01 . 1 . . . . 12 ala HN . 25330 2 54 . 2 2 12 12 ALA C C 13 180.819 0.2 . 1 . . . . 12 ala C . 25330 2 55 . 2 2 12 12 ALA CA C 13 54.275 0.2 . 1 . . . . 12 ala CA . 25330 2 56 . 2 2 12 12 ALA CB C 13 18.684 0.2 . 1 . . . . 12 ala CB . 25330 2 57 . 2 2 12 12 ALA N N 15 116.280 0.2 . 1 . . . . 12 ala N . 25330 2 58 . 2 2 13 13 GLY H H 1 8.261 0.01 . 1 . . . . 13 gly HN . 25330 2 59 . 2 2 13 13 GLY C C 13 175.232 0.2 . 1 . . . . 13 gly C . 25330 2 60 . 2 2 13 13 GLY CA C 13 46.715 0.2 . 1 . . . . 13 gly CA . 25330 2 61 . 2 2 13 13 GLY N N 15 105.753 0.2 . 1 . . . . 13 gly N . 25330 2 62 . 2 2 14 14 ALA H H 1 8.333 0.01 . 1 . . . . 14 ala HN . 25330 2 63 . 2 2 14 14 ALA C C 13 175.495 0.2 . 1 . . . . 14 ala C . 25330 2 64 . 2 2 14 14 ALA CA C 13 51.013 0.2 . 1 . . . . 14 ala CA . 25330 2 65 . 2 2 14 14 ALA CB C 13 19.060 0.2 . 1 . . . . 14 ala CB . 25330 2 66 . 2 2 14 14 ALA N N 15 119.787 0.2 . 1 . . . . 14 ala N . 25330 2 67 . 2 2 15 15 ASP H H 1 7.733 0.01 . 1 . . . . 15 asp HN . 25330 2 68 . 2 2 15 15 ASP C C 13 175.043 0.2 . 1 . . . . 15 asp C . 25330 2 69 . 2 2 15 15 ASP CA C 13 55.066 0.2 . 1 . . . . 15 asp CA . 25330 2 70 . 2 2 15 15 ASP CB C 13 39.263 0.2 . 1 . . . . 15 asp CB . 25330 2 71 . 2 2 15 15 ASP N N 15 119.573 0.2 . 1 . . . . 15 asp N . 25330 2 72 . 2 2 16 16 ILE H H 1 7.983 0.01 . 1 . . . . 16 ile HN . 25330 2 73 . 2 2 16 16 ILE C C 13 174.677 0.2 . 1 . . . . 16 ile C . 25330 2 74 . 2 2 16 16 ILE CA C 13 58.922 0.2 . 1 . . . . 16 ile CA . 25330 2 75 . 2 2 16 16 ILE CB C 13 41.367 0.2 . 1 . . . . 16 ile CB . 25330 2 76 . 2 2 16 16 ILE N N 15 110.135 0.2 . 1 . . . . 16 ile N . 25330 2 77 . 2 2 17 17 SER H H 1 8.519 0.01 . 1 . . . . 17 ser HN . 25330 2 78 . 2 2 17 17 SER C C 13 174.831 0.2 . 1 . . . . 17 ser C . 25330 2 79 . 2 2 17 17 SER CA C 13 57.448 0.2 . 1 . . . . 17 ser CA . 25330 2 80 . 2 2 17 17 SER CB C 13 64.862 0.2 . 1 . . . . 17 ser CB . 25330 2 81 . 2 2 17 17 SER N N 15 115.448 0.2 . 1 . . . . 17 ser N . 25330 2 82 . 2 2 18 18 LYS H H 1 8.896 0.01 . 1 . . . . 18 lys HN . 25330 2 83 . 2 2 18 18 LYS C C 13 180.046 0.2 . 1 . . . . 18 lys C . 25330 2 84 . 2 2 18 18 LYS CA C 13 60.697 0.2 . 1 . . . . 18 lys CA . 25330 2 85 . 2 2 18 18 LYS CB C 13 31.807 0.2 . 1 . . . . 18 lys CB . 25330 2 86 . 2 2 18 18 LYS N N 15 120.204 0.2 . 1 . . . . 18 lys N . 25330 2 87 . 2 2 19 19 ALA H H 1 8.530 0.01 . 1 . . . . 19 ala HN . 25330 2 88 . 2 2 19 19 ALA C C 13 180.531 0.2 . 1 . . . . 19 ala C . 25330 2 89 . 2 2 19 19 ALA CA C 13 55.165 0.2 . 1 . . . . 19 ala CA . 25330 2 90 . 2 2 19 19 ALA CB C 13 19.251 0.2 . 1 . . . . 19 ala CB . 25330 2 91 . 2 2 19 19 ALA N N 15 122.416 0.2 . 1 . . . . 19 ala N . 25330 2 92 . 2 2 20 20 ALA H H 1 8.192 0.01 . 1 . . . . 20 ala HN . 25330 2 93 . 2 2 20 20 ALA C C 13 179.420 0.2 . 1 . . . . 20 ala C . 25330 2 94 . 2 2 20 20 ALA CA C 13 55.234 0.2 . 1 . . . . 20 ala CA . 25330 2 95 . 2 2 20 20 ALA CB C 13 18.864 0.2 . 1 . . . . 20 ala CB . 25330 2 96 . 2 2 20 20 ALA N N 15 123.325 0.2 . 1 . . . . 20 ala N . 25330 2 97 . 2 2 21 21 ALA H H 1 8.849 0.01 . 1 . . . . 21 ala HN . 25330 2 98 . 2 2 21 21 ALA C C 13 179.299 0.2 . 1 . . . . 21 ala C . 25330 2 99 . 2 2 21 21 ALA CA C 13 55.256 0.2 . 1 . . . . 21 ala CA . 25330 2 100 . 2 2 21 21 ALA CB C 13 19.660 0.2 . 1 . . . . 21 ala CB . 25330 2 101 . 2 2 21 21 ALA N N 15 120.964 0.2 . 1 . . . . 21 ala N . 25330 2 102 . 2 2 22 22 GLY H H 1 8.381 0.01 . 1 . . . . 22 gly HN . 25330 2 103 . 2 2 22 22 GLY C C 13 176.137 0.2 . 1 . . . . 22 gly C . 25330 2 104 . 2 2 22 22 GLY CA C 13 47.205 0.2 . 1 . . . . 22 gly CA . 25330 2 105 . 2 2 22 22 GLY N N 15 105.444 0.2 . 1 . . . . 22 gly N . 25330 2 106 . 2 2 23 23 ARG H H 1 7.805 0.01 . 1 . . . . 23 arg HN . 25330 2 107 . 2 2 23 23 ARG C C 13 180.183 0.2 . 1 . . . . 23 arg C . 25330 2 108 . 2 2 23 23 ARG CA C 13 59.577 0.2 . 1 . . . . 23 arg CA . 25330 2 109 . 2 2 23 23 ARG CB C 13 30.505 0.2 . 1 . . . . 23 arg CB . 25330 2 110 . 2 2 23 23 ARG N N 15 120.781 0.2 . 1 . . . . 23 arg N . 25330 2 111 . 2 2 24 24 ALA H H 1 8.715 0.01 . 1 . . . . 24 ala HN . 25330 2 112 . 2 2 24 24 ALA C C 13 178.313 0.2 . 1 . . . . 24 ala C . 25330 2 113 . 2 2 24 24 ALA CA C 13 55.311 0.2 . 1 . . . . 24 ala CA . 25330 2 114 . 2 2 24 24 ALA CB C 13 17.396 0.2 . 1 . . . . 24 ala CB . 25330 2 115 . 2 2 24 24 ALA N N 15 122.746 0.2 . 1 . . . . 24 ala N . 25330 2 116 . 2 2 25 25 LEU H H 1 8.365 0.01 . 1 . . . . 25 leu HN . 25330 2 117 . 2 2 25 25 LEU C C 13 178.429 0.2 . 1 . . . . 25 leu C . 25330 2 118 . 2 2 25 25 LEU CA C 13 57.881 0.2 . 1 . . . . 25 leu CA . 25330 2 119 . 2 2 25 25 LEU CB C 13 40.697 0.2 . 1 . . . . 25 leu CB . 25330 2 120 . 2 2 25 25 LEU N N 15 118.575 0.2 . 1 . . . . 25 leu N . 25330 2 121 . 2 2 26 26 ASP H H 1 8.271 0.01 . 1 . . . . 26 asp HN . 25330 2 122 . 2 2 26 26 ASP C C 13 179.065 0.2 . 1 . . . . 26 asp C . 25330 2 123 . 2 2 26 26 ASP CA C 13 57.554 0.2 . 1 . . . . 26 asp CA . 25330 2 124 . 2 2 26 26 ASP CB C 13 39.602 0.2 . 1 . . . . 26 asp CB . 25330 2 125 . 2 2 26 26 ASP N N 15 118.634 0.2 . 1 . . . . 26 asp N . 25330 2 126 . 2 2 27 27 ALA H H 1 8.099 0.01 . 1 . . . . 27 ala HN . 25330 2 127 . 2 2 27 27 ALA C C 13 180.506 0.2 . 1 . . . . 27 ala C . 25330 2 128 . 2 2 27 27 ALA CA C 13 54.827 0.2 . 1 . . . . 27 ala CA . 25330 2 129 . 2 2 27 27 ALA CB C 13 18.766 0.2 . 1 . . . . 27 ala CB . 25330 2 130 . 2 2 27 27 ALA N N 15 122.247 0.2 . 1 . . . . 27 ala N . 25330 2 131 . 2 2 28 28 ILE H H 1 8.216 0.01 . 1 . . . . 28 ile HN . 25330 2 132 . 2 2 28 28 ILE C C 13 176.639 0.2 . 1 . . . . 28 ile C . 25330 2 133 . 2 2 28 28 ILE CA C 13 66.758 0.2 . 1 . . . . 28 ile CA . 25330 2 134 . 2 2 28 28 ILE CB C 13 37.624 0.2 . 1 . . . . 28 ile CB . 25330 2 135 . 2 2 28 28 ILE N N 15 122.297 0.2 . 1 . . . . 28 ile N . 25330 2 136 . 2 2 29 29 ILE H H 1 7.896 0.01 . 1 . . . . 29 ile HN . 25330 2 137 . 2 2 29 29 ILE C C 13 179.284 0.2 . 1 . . . . 29 ile C . 25330 2 138 . 2 2 29 29 ILE CA C 13 65.669 0.2 . 1 . . . . 29 ile CA . 25330 2 139 . 2 2 29 29 ILE CB C 13 38.260 0.2 . 1 . . . . 29 ile CB . 25330 2 140 . 2 2 29 29 ILE N N 15 118.827 0.2 . 1 . . . . 29 ile N . 25330 2 141 . 2 2 30 30 ALA H H 1 8.628 0.01 . 1 . . . . 30 ala HN . 25330 2 142 . 2 2 30 30 ALA C C 13 179.956 0.2 . 1 . . . . 30 ala C . 25330 2 143 . 2 2 30 30 ALA CA C 13 55.251 0.2 . 1 . . . . 30 ala CA . 25330 2 144 . 2 2 30 30 ALA CB C 13 18.398 0.2 . 1 . . . . 30 ala CB . 25330 2 145 . 2 2 30 30 ALA N N 15 123.151 0.2 . 1 . . . . 30 ala N . 25330 2 146 . 2 2 31 31 SER H H 1 8.145 0.01 . 1 . . . . 31 ser HN . 25330 2 147 . 2 2 31 31 SER C C 13 177.238 0.2 . 1 . . . . 31 ser C . 25330 2 148 . 2 2 31 31 SER CA C 13 62.587 0.2 . 1 . . . . 31 ser CA . 25330 2 149 . 2 2 31 31 SER CB C 13 63.397 0.2 . 1 . . . . 31 ser CB . 25330 2 150 . 2 2 31 31 SER N N 15 114.176 0.2 . 1 . . . . 31 ser N . 25330 2 151 . 2 2 32 32 VAL H H 1 8.333 0.01 . 1 . . . . 32 val HN . 25330 2 152 . 2 2 32 32 VAL C C 13 176.890 0.2 . 1 . . . . 32 val C . 25330 2 153 . 2 2 32 32 VAL CA C 13 66.994 0.2 . 1 . . . . 32 val CA . 25330 2 154 . 2 2 32 32 VAL CB C 13 31.382 0.2 . 1 . . . . 32 val CB . 25330 2 155 . 2 2 32 32 VAL N N 15 122.078 0.2 . 1 . . . . 32 val N . 25330 2 156 . 2 2 33 33 THR H H 1 7.753 0.01 . 1 . . . . 33 thr HN . 25330 2 157 . 2 2 33 33 THR C C 13 175.178 0.2 . 1 . . . . 33 thr C . 25330 2 158 . 2 2 33 33 THR CA C 13 68.374 0.2 . 1 . . . . 33 thr CA . 25330 2 159 . 2 2 33 33 THR CB C 13 71.189 0.2 . 1 . . . . 33 thr CB . 25330 2 160 . 2 2 33 33 THR N N 15 114.710 0.2 . 1 . . . . 33 thr N . 25330 2 161 . 2 2 34 34 GLU H H 1 8.389 0.01 . 1 . . . . 34 glu HN . 25330 2 162 . 2 2 34 34 GLU C C 13 178.888 0.2 . 1 . . . . 34 glu C . 25330 2 163 . 2 2 34 34 GLU CA C 13 59.471 0.2 . 1 . . . . 34 glu CA . 25330 2 164 . 2 2 34 34 GLU CB C 13 29.385 0.2 . 1 . . . . 34 glu CB . 25330 2 165 . 2 2 34 34 GLU N N 15 119.235 0.2 . 1 . . . . 34 glu N . 25330 2 166 . 2 2 35 35 SER H H 1 8.073 0.01 . 1 . . . . 35 ser HN . 25330 2 167 . 2 2 35 35 SER C C 13 176.473 0.2 . 1 . . . . 35 ser C . 25330 2 168 . 2 2 35 35 SER CA C 13 62.971 0.2 . 1 . . . . 35 ser CA . 25330 2 169 . 2 2 35 35 SER CB C 13 63.314 0.2 . 1 . . . . 35 ser CB . 25330 2 170 . 2 2 35 35 SER N N 15 115.296 0.2 . 1 . . . . 35 ser N . 25330 2 171 . 2 2 36 36 LEU H H 1 8.065 0.01 . 1 . . . . 36 leu HN . 25330 2 172 . 2 2 36 36 LEU C C 13 180.739 0.2 . 1 . . . . 36 leu C . 25330 2 173 . 2 2 36 36 LEU CA C 13 58.255 0.2 . 1 . . . . 36 leu CA . 25330 2 174 . 2 2 36 36 LEU CB C 13 40.568 0.2 . 1 . . . . 36 leu CB . 25330 2 175 . 2 2 36 36 LEU N N 15 120.285 0.2 . 1 . . . . 36 leu N . 25330 2 176 . 2 2 37 37 LYS H H 1 8.460 0.01 . 1 . . . . 37 lys HN . 25330 2 177 . 2 2 37 37 LYS C C 13 177.909 0.2 . 1 . . . . 37 lys C . 25330 2 178 . 2 2 37 37 LYS CA C 13 60.209 0.2 . 1 . . . . 37 lys CA . 25330 2 179 . 2 2 37 37 LYS CB C 13 32.341 0.2 . 1 . . . . 37 lys CB . 25330 2 180 . 2 2 37 37 LYS N N 15 121.472 0.2 . 1 . . . . 37 lys N . 25330 2 181 . 2 2 38 38 GLU H H 1 7.483 0.01 . 1 . . . . 38 glu HN . 25330 2 182 . 2 2 38 38 GLU C C 13 176.885 0.2 . 1 . . . . 38 glu C . 25330 2 183 . 2 2 38 38 GLU CA C 13 56.049 0.2 . 1 . . . . 38 glu CA . 25330 2 184 . 2 2 38 38 GLU CB C 13 29.788 0.2 . 1 . . . . 38 glu CB . 25330 2 185 . 2 2 38 38 GLU N N 15 115.286 0.2 . 1 . . . . 38 glu N . 25330 2 186 . 2 2 39 39 GLY H H 1 8.017 0.01 . 1 . . . . 39 gly HN . 25330 2 187 . 2 2 39 39 GLY C C 13 173.855 0.2 . 1 . . . . 39 gly C . 25330 2 188 . 2 2 39 39 GLY CA C 13 45.718 0.2 . 1 . . . . 39 gly CA . 25330 2 189 . 2 2 39 39 GLY N N 15 108.382 0.2 . 1 . . . . 39 gly N . 25330 2 190 . 2 2 40 40 ASP H H 1 8.305 0.01 . 1 . . . . 40 asp HN . 25330 2 191 . 2 2 40 40 ASP C C 13 174.524 0.2 . 1 . . . . 40 asp C . 25330 2 192 . 2 2 40 40 ASP CA C 13 52.945 0.2 . 1 . . . . 40 asp CA . 25330 2 193 . 2 2 40 40 ASP CB C 13 42.606 0.2 . 1 . . . . 40 asp CB . 25330 2 194 . 2 2 40 40 ASP N N 15 122.704 0.2 . 1 . . . . 40 asp N . 25330 2 195 . 2 2 41 41 ASP H H 1 8.173 0.01 . 1 . . . . 41 asp HN . 25330 2 196 . 2 2 41 41 ASP C C 13 176.452 0.2 . 1 . . . . 41 asp C . 25330 2 197 . 2 2 41 41 ASP CA C 13 53.271 0.2 . 1 . . . . 41 asp CA . 25330 2 198 . 2 2 41 41 ASP CB C 13 41.891 0.2 . 1 . . . . 41 asp CB . 25330 2 199 . 2 2 41 41 ASP N N 15 120.997 0.2 . 1 . . . . 41 asp N . 25330 2 200 . 2 2 42 42 VAL H H 1 9.057 0.01 . 1 . . . . 42 val HN . 25330 2 201 . 2 2 42 42 VAL C C 13 174.082 0.2 . 1 . . . . 42 val C . 25330 2 202 . 2 2 42 42 VAL CA C 13 62.064 0.2 . 1 . . . . 42 val CA . 25330 2 203 . 2 2 42 42 VAL CB C 13 33.206 0.2 . 1 . . . . 42 val CB . 25330 2 204 . 2 2 42 42 VAL N N 15 119.634 0.2 . 1 . . . . 42 val N . 25330 2 205 . 2 2 43 43 ALA H H 1 8.653 0.01 . 1 . . . . 43 ala HN . 25330 2 206 . 2 2 43 43 ALA C C 13 175.761 0.2 . 1 . . . . 43 ala C . 25330 2 207 . 2 2 43 43 ALA CA C 13 51.712 0.2 . 1 . . . . 43 ala CA . 25330 2 208 . 2 2 43 43 ALA CB C 13 20.243 0.2 . 1 . . . . 43 ala CB . 25330 2 209 . 2 2 43 43 ALA N N 15 131.528 0.2 . 1 . . . . 43 ala N . 25330 2 210 . 2 2 44 44 LEU H H 1 8.638 0.01 . 1 . . . . 44 leu HN . 25330 2 211 . 2 2 44 44 LEU C C 13 175.664 0.2 . 1 . . . . 44 leu C . 25330 2 212 . 2 2 44 44 LEU CA C 13 52.219 0.2 . 1 . . . . 44 leu CA . 25330 2 213 . 2 2 44 44 LEU CB C 13 41.991 0.2 . 1 . . . . 44 leu CB . 25330 2 214 . 2 2 44 44 LEU N N 15 124.381 0.2 . 1 . . . . 44 leu N . 25330 2 215 . 2 2 45 45 VAL H H 1 8.314 0.01 . 1 . . . . 45 val HN . 25330 2 216 . 2 2 45 45 VAL C C 13 175.404 0.2 . 1 . . . . 45 val C . 25330 2 217 . 2 2 45 45 VAL CA C 13 64.801 0.2 . 1 . . . . 45 val CA . 25330 2 218 . 2 2 45 45 VAL N N 15 125.602 0.2 . 1 . . . . 45 val N . 25330 2 219 . 2 2 46 46 GLY C C 13 173.067 0.2 . 1 . . . . 46 gly C . 25330 2 220 . 2 2 46 46 GLY CA C 13 45.800 0.2 . 1 . . . . 46 gly CA . 25330 2 221 . 2 2 47 47 PHE H H 1 8.310 0.01 . 1 . . . . 47 phe HN . 25330 2 222 . 2 2 47 47 PHE C C 13 174.619 0.2 . 1 . . . . 47 phe C . 25330 2 223 . 2 2 47 47 PHE CA C 13 60.717 0.2 . 1 . . . . 47 phe CA . 25330 2 224 . 2 2 47 47 PHE CB C 13 41.367 0.2 . 1 . . . . 47 phe CB . 25330 2 225 . 2 2 47 47 PHE N N 15 122.365 0.2 . 1 . . . . 47 phe N . 25330 2 226 . 2 2 48 48 GLY H H 1 8.589 0.01 . 1 . . . . 48 gly HN . 25330 2 227 . 2 2 48 48 GLY C C 13 171.235 0.2 . 1 . . . . 48 gly C . 25330 2 228 . 2 2 48 48 GLY CA C 13 46.096 0.2 . 1 . . . . 48 gly CA . 25330 2 229 . 2 2 48 48 GLY N N 15 105.892 0.2 . 1 . . . . 48 gly N . 25330 2 230 . 2 2 49 49 THR H H 1 7.716 0.01 . 1 . . . . 49 thr HN . 25330 2 231 . 2 2 49 49 THR C C 13 174.446 0.2 . 1 . . . . 49 thr C . 25330 2 232 . 2 2 49 49 THR CA C 13 60.554 0.2 . 1 . . . . 49 thr CA . 25330 2 233 . 2 2 49 49 THR CB C 13 72.609 0.2 . 1 . . . . 49 thr CB . 25330 2 234 . 2 2 49 49 THR N N 15 113.903 0.2 . 1 . . . . 49 thr N . 25330 2 235 . 2 2 50 50 PHE H H 1 9.528 0.01 . 1 . . . . 50 phe HN . 25330 2 236 . 2 2 50 50 PHE C C 13 173.693 0.2 . 1 . . . . 50 phe C . 25330 2 237 . 2 2 50 50 PHE CA C 13 57.069 0.2 . 1 . . . . 50 phe CA . 25330 2 238 . 2 2 50 50 PHE CB C 13 41.791 0.2 . 1 . . . . 50 phe CB . 25330 2 239 . 2 2 50 50 PHE N N 15 126.989 0.2 . 1 . . . . 50 phe N . 25330 2 240 . 2 2 51 51 ALA H H 1 9.036 0.01 . 1 . . . . 51 ala HN . 25330 2 241 . 2 2 51 51 ALA C C 13 176.131 0.2 . 1 . . . . 51 ala C . 25330 2 242 . 2 2 51 51 ALA CA C 13 51.494 0.2 . 1 . . . . 51 ala CA . 25330 2 243 . 2 2 51 51 ALA CB C 13 23.762 0.2 . 1 . . . . 51 ala CB . 25330 2 244 . 2 2 51 51 ALA N N 15 124.946 0.2 . 1 . . . . 51 ala N . 25330 2 245 . 2 2 52 52 VAL H H 1 8.863 0.01 . 1 . . . . 52 val HN . 25330 2 246 . 2 2 52 52 VAL C C 13 175.632 0.2 . 1 . . . . 52 val C . 25330 2 247 . 2 2 52 52 VAL CA C 13 61.813 0.2 . 1 . . . . 52 val CA . 25330 2 248 . 2 2 52 52 VAL CB C 13 33.276 0.2 . 1 . . . . 52 val CB . 25330 2 249 . 2 2 52 52 VAL N N 15 119.418 0.2 . 1 . . . . 52 val N . 25330 2 250 . 2 2 53 53 LYS H H 1 8.935 0.01 . 1 . . . . 53 lys HN . 25330 2 251 . 2 2 53 53 LYS C C 13 174.749 0.2 . 1 . . . . 53 lys C . 25330 2 252 . 2 2 53 53 LYS CA C 13 54.271 0.2 . 1 . . . . 53 lys CA . 25330 2 253 . 2 2 53 53 LYS CB C 13 35.301 0.2 . 1 . . . . 53 lys CB . 25330 2 254 . 2 2 53 53 LYS N N 15 126.902 0.2 . 1 . . . . 53 lys N . 25330 2 255 . 2 2 54 54 GLU H H 1 8.731 0.01 . 1 . . . . 54 glu HN . 25330 2 256 . 2 2 54 54 GLU C C 13 176.036 0.2 . 1 . . . . 54 glu C . 25330 2 257 . 2 2 54 54 GLU CA C 13 55.964 0.2 . 1 . . . . 54 glu CA . 25330 2 258 . 2 2 54 54 GLU CB C 13 31.001 0.2 . 1 . . . . 54 glu CB . 25330 2 259 . 2 2 54 54 GLU N N 15 123.372 0.2 . 1 . . . . 54 glu N . 25330 2 260 . 2 2 55 55 ARG H H 1 9.094 0.01 . 1 . . . . 55 arg HN . 25330 2 261 . 2 2 55 55 ARG C C 13 175.234 0.2 . 1 . . . . 55 arg C . 25330 2 262 . 2 2 55 55 ARG CA C 13 55.198 0.2 . 1 . . . . 55 arg CA . 25330 2 263 . 2 2 55 55 ARG CB C 13 31.605 0.2 . 1 . . . . 55 arg CB . 25330 2 264 . 2 2 55 55 ARG N N 15 127.805 0.2 . 1 . . . . 55 arg N . 25330 2 265 . 2 2 56 56 ALA H H 1 8.440 0.01 . 1 . . . . 56 ala HN . 25330 2 266 . 2 2 56 56 ALA C C 13 177.841 0.2 . 1 . . . . 56 ala C . 25330 2 267 . 2 2 56 56 ALA CA C 13 52.173 0.2 . 1 . . . . 56 ala CA . 25330 2 268 . 2 2 56 56 ALA CB C 13 19.525 0.2 . 1 . . . . 56 ala CB . 25330 2 269 . 2 2 56 56 ALA N N 15 127.222 0.2 . 1 . . . . 56 ala N . 25330 2 270 . 2 2 57 57 ALA H H 1 8.636 0.01 . 1 . . . . 57 ala HN . 25330 2 271 . 2 2 57 57 ALA C C 13 177.498 0.2 . 1 . . . . 57 ala C . 25330 2 272 . 2 2 57 57 ALA CA C 13 52.720 0.2 . 1 . . . . 57 ala CA . 25330 2 273 . 2 2 57 57 ALA CB C 13 19.180 0.2 . 1 . . . . 57 ala CB . 25330 2 274 . 2 2 57 57 ALA N N 15 123.752 0.2 . 1 . . . . 57 ala N . 25330 2 275 . 2 2 58 58 ARG H H 1 8.620 0.01 . 1 . . . . 58 arg HN . 25330 2 276 . 2 2 58 58 ARG C C 13 174.791 0.2 . 1 . . . . 58 arg C . 25330 2 277 . 2 2 58 58 ARG CA C 13 55.015 0.2 . 1 . . . . 58 arg CA . 25330 2 278 . 2 2 58 58 ARG CB C 13 33.129 0.2 . 1 . . . . 58 arg CB . 25330 2 279 . 2 2 58 58 ARG N N 15 119.217 0.2 . 1 . . . . 58 arg N . 25330 2 280 . 2 2 59 59 THR H H 1 8.513 0.01 . 1 . . . . 59 thr HN . 25330 2 281 . 2 2 59 59 THR C C 13 174.596 0.2 . 1 . . . . 59 thr C . 25330 2 282 . 2 2 59 59 THR CA C 13 61.484 0.2 . 1 . . . . 59 thr CA . 25330 2 283 . 2 2 59 59 THR CB C 13 70.431 0.2 . 1 . . . . 59 thr CB . 25330 2 284 . 2 2 59 59 THR N N 15 116.320 0.2 . 1 . . . . 59 thr N . 25330 2 285 . 2 2 60 60 GLY H H 1 8.739 0.01 . 1 . . . . 60 gly HN . 25330 2 286 . 2 2 60 60 GLY C C 13 172.481 0.2 . 1 . . . . 60 gly C . 25330 2 287 . 2 2 60 60 GLY CA C 13 44.566 0.2 . 1 . . . . 60 gly CA . 25330 2 288 . 2 2 60 60 GLY N N 15 112.701 0.2 . 1 . . . . 60 gly N . 25330 2 289 . 2 2 61 61 ARG H H 1 8.531 0.01 . 1 . . . . 61 arg HN . 25330 2 290 . 2 2 61 61 ARG C C 13 175.724 0.2 . 1 . . . . 61 arg C . 25330 2 291 . 2 2 61 61 ARG CA C 13 54.734 0.2 . 1 . . . . 61 arg CA . 25330 2 292 . 2 2 61 61 ARG CB C 13 32.596 0.2 . 1 . . . . 61 arg CB . 25330 2 293 . 2 2 61 61 ARG N N 15 120.335 0.2 . 1 . . . . 61 arg N . 25330 2 294 . 2 2 62 62 ASN H H 1 8.914 0.01 . 1 . . . . 62 asn HN . 25330 2 295 . 2 2 62 62 ASN C C 13 174.986 0.2 . 1 . . . . 62 asn C . 25330 2 296 . 2 2 62 62 ASN CA C 13 51.085 0.2 . 1 . . . . 62 asn CA . 25330 2 297 . 2 2 62 62 ASN CB C 13 39.339 0.2 . 1 . . . . 62 asn CB . 25330 2 298 . 2 2 62 62 ASN N N 15 125.748 0.2 . 1 . . . . 62 asn N . 25330 2 299 . 2 2 63 63 PRO C C 13 177.638 0.2 . 1 . . . . 63 pro C . 25330 2 300 . 2 2 63 63 PRO CA C 13 64.466 0.2 . 1 . . . . 63 pro CA . 25330 2 301 . 2 2 63 63 PRO CB C 13 32.043 0.2 . 1 . . . . 63 pro CB . 25330 2 302 . 2 2 64 64 GLN H H 1 8.275 0.01 . 1 . . . . 64 gln HN . 25330 2 303 . 2 2 64 64 GLN C C 13 177.512 0.2 . 1 . . . . 64 gln C . 25330 2 304 . 2 2 64 64 GLN CA C 13 57.981 0.2 . 1 . . . . 64 gln CA . 25330 2 305 . 2 2 64 64 GLN CB C 13 29.360 0.2 . 1 . . . . 64 gln CB . 25330 2 306 . 2 2 64 64 GLN N N 15 116.384 0.2 . 1 . . . . 64 gln N . 25330 2 307 . 2 2 65 65 THR H H 1 7.684 0.01 . 1 . . . . 65 thr HN . 25330 2 308 . 2 2 65 65 THR C C 13 176.307 0.2 . 1 . . . . 65 thr C . 25330 2 309 . 2 2 65 65 THR CA C 13 61.388 0.2 . 1 . . . . 65 thr CA . 25330 2 310 . 2 2 65 65 THR CB C 13 70.748 0.2 . 1 . . . . 65 thr CB . 25330 2 311 . 2 2 65 65 THR N N 15 106.854 0.2 . 1 . . . . 65 thr N . 25330 2 312 . 2 2 66 66 GLY H H 1 8.544 0.01 . 1 . . . . 66 gly HN . 25330 2 313 . 2 2 66 66 GLY C C 13 173.709 0.2 . 1 . . . . 66 gly C . 25330 2 314 . 2 2 66 66 GLY CA C 13 45.619 0.2 . 1 . . . . 66 gly CA . 25330 2 315 . 2 2 66 66 GLY N N 15 111.344 0.2 . 1 . . . . 66 gly N . 25330 2 316 . 2 2 67 67 LYS H H 1 7.656 0.01 . 1 . . . . 67 lys HN . 25330 2 317 . 2 2 67 67 LYS C C 13 176.091 0.2 . 1 . . . . 67 lys C . 25330 2 318 . 2 2 67 67 LYS CA C 13 55.798 0.2 . 1 . . . . 67 lys CA . 25330 2 319 . 2 2 67 67 LYS CB C 13 33.465 0.2 . 1 . . . . 67 lys CB . 25330 2 320 . 2 2 67 67 LYS N N 15 119.833 0.2 . 1 . . . . 67 lys N . 25330 2 321 . 2 2 68 68 GLU H H 1 8.700 0.01 . 1 . . . . 68 glu HN . 25330 2 322 . 2 2 68 68 GLU C C 13 176.227 0.2 . 1 . . . . 68 glu C . 25330 2 323 . 2 2 68 68 GLU CA C 13 57.113 0.2 . 1 . . . . 68 glu CA . 25330 2 324 . 2 2 68 68 GLU CB C 13 30.564 0.2 . 1 . . . . 68 glu CB . 25330 2 325 . 2 2 68 68 GLU N N 15 122.581 0.2 . 1 . . . . 68 glu N . 25330 2 326 . 2 2 69 69 ILE H H 1 8.444 0.01 . 1 . . . . 69 ile HN . 25330 2 327 . 2 2 69 69 ILE C C 13 174.969 0.2 . 1 . . . . 69 ile C . 25330 2 328 . 2 2 69 69 ILE CA C 13 59.803 0.2 . 1 . . . . 69 ile CA . 25330 2 329 . 2 2 69 69 ILE CB C 13 41.619 0.2 . 1 . . . . 69 ile CB . 25330 2 330 . 2 2 69 69 ILE N N 15 121.486 0.2 . 1 . . . . 69 ile N . 25330 2 331 . 2 2 70 70 THR H H 1 8.565 0.01 . 1 . . . . 70 thr HN . 25330 2 332 . 2 2 70 70 THR C C 13 173.947 0.2 . 1 . . . . 70 thr C . 25330 2 333 . 2 2 70 70 THR CA C 13 62.366 0.2 . 1 . . . . 70 thr CA . 25330 2 334 . 2 2 70 70 THR CB C 13 69.950 0.2 . 1 . . . . 70 thr CB . 25330 2 335 . 2 2 70 70 THR N N 15 119.767 0.2 . 1 . . . . 70 thr N . 25330 2 336 . 2 2 71 71 ILE H H 1 8.967 0.01 . 1 . . . . 71 ile HN . 25330 2 337 . 2 2 71 71 ILE C C 13 175.002 0.2 . 1 . . . . 71 ile C . 25330 2 338 . 2 2 71 71 ILE CA C 13 60.580 0.2 . 1 . . . . 71 ile CA . 25330 2 339 . 2 2 71 71 ILE CB C 13 38.381 0.2 . 1 . . . . 71 ile CB . 25330 2 340 . 2 2 71 71 ILE N N 15 129.497 0.2 . 1 . . . . 71 ile N . 25330 2 341 . 2 2 72 72 ALA H H 1 8.364 0.01 . 1 . . . . 72 ala HN . 25330 2 342 . 2 2 72 72 ALA C C 13 177.671 0.2 . 1 . . . . 72 ala C . 25330 2 343 . 2 2 72 72 ALA CA C 13 52.318 0.2 . 1 . . . . 72 ala CA . 25330 2 344 . 2 2 72 72 ALA CB C 13 19.510 0.2 . 1 . . . . 72 ala CB . 25330 2 345 . 2 2 72 72 ALA N N 15 128.456 0.2 . 1 . . . . 72 ala N . 25330 2 346 . 2 2 73 73 ALA H H 1 8.561 0.01 . 1 . . . . 73 ala HN . 25330 2 347 . 2 2 73 73 ALA C C 13 177.267 0.2 . 1 . . . . 73 ala C . 25330 2 348 . 2 2 73 73 ALA CA C 13 52.624 0.2 . 1 . . . . 73 ala CA . 25330 2 349 . 2 2 73 73 ALA CB C 13 19.482 0.2 . 1 . . . . 73 ala CB . 25330 2 350 . 2 2 73 73 ALA N N 15 123.532 0.2 . 1 . . . . 73 ala N . 25330 2 351 . 2 2 74 74 ALA H H 1 8.385 0.01 . 1 . . . . 74 ala HN . 25330 2 352 . 2 2 74 74 ALA C C 13 176.061 0.2 . 1 . . . . 74 ala C . 25330 2 353 . 2 2 74 74 ALA CA C 13 51.511 0.2 . 1 . . . . 74 ala CA . 25330 2 354 . 2 2 74 74 ALA CB C 13 22.422 0.2 . 1 . . . . 74 ala CB . 25330 2 355 . 2 2 74 74 ALA N N 15 122.817 0.2 . 1 . . . . 74 ala N . 25330 2 356 . 2 2 75 75 LYS H H 1 8.579 0.01 . 1 . . . . 75 lys HN . 25330 2 357 . 2 2 75 75 LYS C C 13 175.873 0.2 . 1 . . . . 75 lys C . 25330 2 358 . 2 2 75 75 LYS CA C 13 56.054 0.2 . 1 . . . . 75 lys CA . 25330 2 359 . 2 2 75 75 LYS CB C 13 33.833 0.2 . 1 . . . . 75 lys CB . 25330 2 360 . 2 2 75 75 LYS N N 15 121.828 0.2 . 1 . . . . 75 lys N . 25330 2 361 . 2 2 76 76 VAL H H 1 8.830 0.01 . 1 . . . . 76 val HN . 25330 2 362 . 2 2 76 76 VAL C C 13 173.708 0.2 . 1 . . . . 76 val C . 25330 2 363 . 2 2 76 76 VAL CA C 13 57.896 0.2 . 1 . . . . 76 val CA . 25330 2 364 . 2 2 76 76 VAL CB C 13 34.087 0.2 . 1 . . . . 76 val CB . 25330 2 365 . 2 2 76 76 VAL N N 15 116.823 0.2 . 1 . . . . 76 val N . 25330 2 366 . 2 2 77 77 PRO C C 13 175.786 0.2 . 1 . . . . 77 pro C . 25330 2 367 . 2 2 77 77 PRO CA C 13 62.343 0.2 . 1 . . . . 77 pro CA . 25330 2 368 . 2 2 77 77 PRO CB C 13 31.998 0.2 . 1 . . . . 77 pro CB . 25330 2 369 . 2 2 78 78 SER H H 1 9.006 0.01 . 1 . . . . 78 ser HN . 25330 2 370 . 2 2 78 78 SER C C 13 171.835 0.2 . 1 . . . . 78 ser C . 25330 2 371 . 2 2 78 78 SER CA C 13 57.265 0.2 . 1 . . . . 78 ser CA . 25330 2 372 . 2 2 78 78 SER CB C 13 66.303 0.2 . 1 . . . . 78 ser CB . 25330 2 373 . 2 2 78 78 SER N N 15 117.025 0.2 . 1 . . . . 78 ser N . 25330 2 374 . 2 2 79 79 PHE H H 1 8.624 0.01 . 1 . . . . 79 phe HN . 25330 2 375 . 2 2 79 79 PHE C C 13 173.696 0.2 . 1 . . . . 79 phe C . 25330 2 376 . 2 2 79 79 PHE CA C 13 55.656 0.2 . 1 . . . . 79 phe CA . 25330 2 377 . 2 2 79 79 PHE CB C 13 43.732 0.2 . 1 . . . . 79 phe CB . 25330 2 378 . 2 2 79 79 PHE N N 15 123.000 0.2 . 1 . . . . 79 phe N . 25330 2 379 . 2 2 80 80 ARG H H 1 8.014 0.01 . 1 . . . . 80 arg HN . 25330 2 380 . 2 2 80 80 ARG C C 13 174.668 0.2 . 1 . . . . 80 arg C . 25330 2 381 . 2 2 80 80 ARG CA C 13 53.525 0.2 . 1 . . . . 80 arg CA . 25330 2 382 . 2 2 80 80 ARG CB C 13 31.419 0.2 . 1 . . . . 80 arg CB . 25330 2 383 . 2 2 80 80 ARG N N 15 128.111 0.2 . 1 . . . . 80 arg N . 25330 2 384 . 2 2 81 81 ALA H H 1 8.543 0.01 . 1 . . . . 81 ala HN . 25330 2 385 . 2 2 81 81 ALA C C 13 177.087 0.2 . 1 . . . . 81 ala C . 25330 2 386 . 2 2 81 81 ALA CA C 13 52.486 0.2 . 1 . . . . 81 ala CA . 25330 2 387 . 2 2 81 81 ALA CB C 13 20.203 0.2 . 1 . . . . 81 ala CB . 25330 2 388 . 2 2 81 81 ALA N N 15 128.214 0.2 . 1 . . . . 81 ala N . 25330 2 389 . 2 2 82 82 GLY H H 1 8.317 0.01 . 1 . . . . 82 gly HN . 25330 2 390 . 2 2 82 82 GLY CA C 13 43.521 0.2 . 1 . . . . 82 gly CA . 25330 2 391 . 2 2 82 82 GLY N N 15 111.311 0.2 . 1 . . . . 82 gly N . 25330 2 392 . 2 2 83 83 LYS C C 13 177.570 0.2 . 1 . . . . 83 lys C . 25330 2 393 . 2 2 83 83 LYS CA C 13 60.276 0.2 . 1 . . . . 83 lys CA . 25330 2 394 . 2 2 83 83 LYS CB C 13 33.043 0.2 . 1 . . . . 83 lys CB . 25330 2 395 . 2 2 84 84 ALA H H 1 8.326 0.01 . 1 . . . . 84 ala HN . 25330 2 396 . 2 2 84 84 ALA C C 13 180.767 0.2 . 1 . . . . 84 ala C . 25330 2 397 . 2 2 84 84 ALA CA C 13 55.125 0.2 . 1 . . . . 84 ala CA . 25330 2 398 . 2 2 84 84 ALA CB C 13 17.678 0.2 . 1 . . . . 84 ala CB . 25330 2 399 . 2 2 84 84 ALA N N 15 118.682 0.2 . 1 . . . . 84 ala N . 25330 2 400 . 2 2 85 85 LEU H H 1 7.188 0.01 . 1 . . . . 85 leu HN . 25330 2 401 . 2 2 85 85 LEU C C 13 177.848 0.2 . 1 . . . . 85 leu C . 25330 2 402 . 2 2 85 85 LEU CA C 13 57.561 0.2 . 1 . . . . 85 leu CA . 25330 2 403 . 2 2 85 85 LEU CB C 13 42.250 0.2 . 1 . . . . 85 leu CB . 25330 2 404 . 2 2 85 85 LEU N N 15 120.178 0.2 . 1 . . . . 85 leu N . 25330 2 405 . 2 2 86 86 LYS H H 1 7.892 0.01 . 1 . . . . 86 lys HN . 25330 2 406 . 2 2 86 86 LYS C C 13 179.410 0.2 . 1 . . . . 86 lys C . 25330 2 407 . 2 2 86 86 LYS CA C 13 60.891 0.2 . 1 . . . . 86 lys CA . 25330 2 408 . 2 2 86 86 LYS CB C 13 32.044 0.2 . 1 . . . . 86 lys CB . 25330 2 409 . 2 2 86 86 LYS N N 15 116.719 0.2 . 1 . . . . 86 lys N . 25330 2 410 . 2 2 87 87 ASP H H 1 8.771 0.01 . 1 . . . . 87 asp HN . 25330 2 411 . 2 2 87 87 ASP C C 13 179.006 0.2 . 1 . . . . 87 asp C . 25330 2 412 . 2 2 87 87 ASP CA C 13 56.917 0.2 . 1 . . . . 87 asp CA . 25330 2 413 . 2 2 87 87 ASP CB C 13 39.822 0.2 . 1 . . . . 87 asp CB . 25330 2 414 . 2 2 87 87 ASP N N 15 118.578 0.2 . 1 . . . . 87 asp N . 25330 2 415 . 2 2 88 88 ALA H H 1 7.762 0.01 . 1 . . . . 88 ala HN . 25330 2 416 . 2 2 88 88 ALA C C 13 179.158 0.2 . 1 . . . . 88 ala C . 25330 2 417 . 2 2 88 88 ALA CA C 13 54.624 0.2 . 1 . . . . 88 ala CA . 25330 2 418 . 2 2 88 88 ALA CB C 13 19.010 0.2 . 1 . . . . 88 ala CB . 25330 2 419 . 2 2 88 88 ALA N N 15 120.401 0.2 . 1 . . . . 88 ala N . 25330 2 420 . 2 2 89 89 VAL H H 1 7.060 0.01 . 1 . . . . 89 val HN . 25330 2 421 . 2 2 89 89 VAL C C 13 173.961 0.2 . 1 . . . . 89 val C . 25330 2 422 . 2 2 89 89 VAL CA C 13 60.341 0.2 . 1 . . . . 89 val CA . 25330 2 423 . 2 2 89 89 VAL CB C 13 30.797 0.2 . 1 . . . . 89 val CB . 25330 2 424 . 2 2 89 89 VAL N N 15 105.041 0.2 . 1 . . . . 89 val N . 25330 2 425 . 2 2 90 90 ASN H H 1 7.391 0.01 . 1 . . . . 90 asn HN . 25330 2 426 . 2 2 90 90 ASN C C 13 178.557 0.2 . 1 . . . . 90 asn C . 25330 2 427 . 2 2 90 90 ASN CA C 13 55.366 0.2 . 1 . . . . 90 asn CA . 25330 2 428 . 2 2 90 90 ASN CB C 13 42.856 0.2 . 1 . . . . 90 asn CB . 25330 2 429 . 2 2 90 90 ASN N N 15 126.626 0.2 . 1 . . . . 90 asn N . 25330 2 stop_ save_