data_19255 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19255 _Entry.Title ; Backbone amide chemical shifts and relaxation data (T1-T2) for the Y48A mutant of the FimH adhesin carbohydrate-binding domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-22 _Entry.Accession_date 2013-05-22 _Entry.Last_release_date 2013-05-22 _Entry.Original_release_date 2013-05-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Sophie Vanwetswinkel . . . . 19255 2 N. 'Van Nuland' . A. . . 19255 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19255 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . VANWETSWINKELGroup . 19255 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CELL ADHESION' . 19255 NMR . 19255 'bacterial adhesin' . 19255 carbohydrate . 19255 'urinary tract infection' . 19255 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19255 heteronucl_T1_relaxation 1 19255 heteronucl_T2_relaxation 1 19255 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 171 19255 '1H chemical shifts' 189 19255 'T1 relaxation values' 132 19255 'T2 relaxation values' 132 19255 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 . . 2014-03-04 2013-05-22 update author 'update entry citation' 19255 1 . . 2014-02-13 2013-05-22 original author 'original release' 19255 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19066 'FimH adhesin carbohydrate-binding domain' 19255 BMRB 19254 'FimH Y48A mutant - Heptyl-mannose complex' 19255 BMRB 19256 'FimH -heptyl-mannose complex' 19255 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19255 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24476493 _Citation.Full_citation . _Citation.Title ; Study of the Structural and Dynamic Effects in the FimH Adhesin upon alfa-D-Heptyl Mannose Binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full 'Journal of medicinal chemistry' _Citation.Journal_volume 57 _Citation.Journal_issue 4 _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 1416 _Citation.Page_last 1427 _Citation.Year 2014 _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 Sophie Vanwetswinkel . . . . 19255 1 2 Alexander Volkov . N. . . 19255 1 3 Yann Sterckx . G.J. . . 19255 1 4 Abel Garcia-Pino . . . . 19255 1 5 Lieven Buts . . . . 19255 1 6 Wim Vranken . F. . . 19255 1 7 Julie Bouckaert . . . . 19255 1 8 Rene Roy . . . . 19255 1 9 Lode Wyns . . . . 19255 1 10 Nico 'van Nuland' . A.J. . . 19255 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19255 _Assembly.ID 1 _Assembly.Name 'FimH Y48A mutant' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 16904.8881 _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 'FIMH Y48A mutant' 1 $FIMH_Y48A_mutant A . yes native no no . . . 19255 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 FIMH 1 CYS 3 3 SG . 1 FIMH 1 CYS 44 44 SG . FIMH . 3 CYS SG . FIMH . 44 CYS SG 19255 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FIMH_Y48A_mutant _Entity.Sf_category entity _Entity.Sf_framecode FIMH_Y48A_mutant _Entity.Entry_ID 19255 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FIMH_Y48A_mutant _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; FACKTANGTAIPIGGGSANV YVNLAPVVNVGQNLVVDLST QIFCHNDAPETITDYVTLQR GSAYGGVLSNFSGTVKYSGS SYPFPTTSETPRVVYNSRTD KPWPVALYLTPVSSAGGVAI KAGSLIAVLILRQTNNYNSD DFQFVWNIYANNDVVVPT ; _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 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'FimH carbohydrate-binding domain' _Entity.Mutation Tyr48Ala _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16904.8881 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP A2IC68_ECOLX . A2IC68 . . . . . . . . . . . . . . 19255 1 stop_ 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 . PHE . 19255 1 2 . ALA . 19255 1 3 . CYS . 19255 1 4 . LYS . 19255 1 5 . THR . 19255 1 6 . ALA . 19255 1 7 . ASN . 19255 1 8 . GLY . 19255 1 9 . THR . 19255 1 10 . ALA . 19255 1 11 . ILE . 19255 1 12 . PRO . 19255 1 13 . ILE . 19255 1 14 . GLY . 19255 1 15 . GLY . 19255 1 16 . GLY . 19255 1 17 . SER . 19255 1 18 . ALA . 19255 1 19 . ASN . 19255 1 20 . VAL . 19255 1 21 . TYR . 19255 1 22 . VAL . 19255 1 23 . ASN . 19255 1 24 . LEU . 19255 1 25 . ALA . 19255 1 26 . PRO . 19255 1 27 . VAL . 19255 1 28 . VAL . 19255 1 29 . ASN . 19255 1 30 . VAL . 19255 1 31 . GLY . 19255 1 32 . GLN . 19255 1 33 . ASN . 19255 1 34 . LEU . 19255 1 35 . VAL . 19255 1 36 . VAL . 19255 1 37 . ASP . 19255 1 38 . LEU . 19255 1 39 . SER . 19255 1 40 . THR . 19255 1 41 . GLN . 19255 1 42 . ILE . 19255 1 43 . PHE . 19255 1 44 . CYS . 19255 1 45 . HIS . 19255 1 46 . ASN . 19255 1 47 . ASP . 19255 1 48 . ALA . 19255 1 49 . PRO . 19255 1 50 . GLU . 19255 1 51 . THR . 19255 1 52 . ILE . 19255 1 53 . THR . 19255 1 54 . ASP . 19255 1 55 . TYR . 19255 1 56 . VAL . 19255 1 57 . THR . 19255 1 58 . LEU . 19255 1 59 . GLN . 19255 1 60 . ARG . 19255 1 61 . GLY . 19255 1 62 . SER . 19255 1 63 . ALA . 19255 1 64 . TYR . 19255 1 65 . GLY . 19255 1 66 . GLY . 19255 1 67 . VAL . 19255 1 68 . LEU . 19255 1 69 . SER . 19255 1 70 . ASN . 19255 1 71 . PHE . 19255 1 72 . SER . 19255 1 73 . GLY . 19255 1 74 . THR . 19255 1 75 . VAL . 19255 1 76 . LYS . 19255 1 77 . TYR . 19255 1 78 . SER . 19255 1 79 . GLY . 19255 1 80 . SER . 19255 1 81 . SER . 19255 1 82 . TYR . 19255 1 83 . PRO . 19255 1 84 . PHE . 19255 1 85 . PRO . 19255 1 86 . THR . 19255 1 87 . THR . 19255 1 88 . SER . 19255 1 89 . GLU . 19255 1 90 . THR . 19255 1 91 . PRO . 19255 1 92 . ARG . 19255 1 93 . VAL . 19255 1 94 . VAL . 19255 1 95 . TYR . 19255 1 96 . ASN . 19255 1 97 . SER . 19255 1 98 . ARG . 19255 1 99 . THR . 19255 1 100 . ASP . 19255 1 101 . LYS . 19255 1 102 . PRO . 19255 1 103 . TRP . 19255 1 104 . PRO . 19255 1 105 . VAL . 19255 1 106 . ALA . 19255 1 107 . LEU . 19255 1 108 . TYR . 19255 1 109 . LEU . 19255 1 110 . THR . 19255 1 111 . PRO . 19255 1 112 . VAL . 19255 1 113 . SER . 19255 1 114 . SER . 19255 1 115 . ALA . 19255 1 116 . GLY . 19255 1 117 . GLY . 19255 1 118 . VAL . 19255 1 119 . ALA . 19255 1 120 . ILE . 19255 1 121 . LYS . 19255 1 122 . ALA . 19255 1 123 . GLY . 19255 1 124 . SER . 19255 1 125 . LEU . 19255 1 126 . ILE . 19255 1 127 . ALA . 19255 1 128 . VAL . 19255 1 129 . LEU . 19255 1 130 . ILE . 19255 1 131 . LEU . 19255 1 132 . ARG . 19255 1 133 . GLN . 19255 1 134 . THR . 19255 1 135 . ASN . 19255 1 136 . ASN . 19255 1 137 . TYR . 19255 1 138 . ASN . 19255 1 139 . SER . 19255 1 140 . ASP . 19255 1 141 . ASP . 19255 1 142 . PHE . 19255 1 143 . GLN . 19255 1 144 . PHE . 19255 1 145 . VAL . 19255 1 146 . TRP . 19255 1 147 . ASN . 19255 1 148 . ILE . 19255 1 149 . TYR . 19255 1 150 . ALA . 19255 1 151 . ASN . 19255 1 152 . ASN . 19255 1 153 . ASP . 19255 1 154 . VAL . 19255 1 155 . VAL . 19255 1 156 . VAL . 19255 1 157 . PRO . 19255 1 158 . THR . 19255 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 . PHE 1 1 19255 1 . ALA 2 2 19255 1 . CYS 3 3 19255 1 . LYS 4 4 19255 1 . THR 5 5 19255 1 . ALA 6 6 19255 1 . ASN 7 7 19255 1 . GLY 8 8 19255 1 . THR 9 9 19255 1 . ALA 10 10 19255 1 . ILE 11 11 19255 1 . PRO 12 12 19255 1 . ILE 13 13 19255 1 . GLY 14 14 19255 1 . GLY 15 15 19255 1 . GLY 16 16 19255 1 . SER 17 17 19255 1 . ALA 18 18 19255 1 . ASN 19 19 19255 1 . VAL 20 20 19255 1 . TYR 21 21 19255 1 . VAL 22 22 19255 1 . ASN 23 23 19255 1 . LEU 24 24 19255 1 . ALA 25 25 19255 1 . PRO 26 26 19255 1 . VAL 27 27 19255 1 . VAL 28 28 19255 1 . ASN 29 29 19255 1 . VAL 30 30 19255 1 . GLY 31 31 19255 1 . GLN 32 32 19255 1 . ASN 33 33 19255 1 . LEU 34 34 19255 1 . VAL 35 35 19255 1 . VAL 36 36 19255 1 . ASP 37 37 19255 1 . LEU 38 38 19255 1 . SER 39 39 19255 1 . THR 40 40 19255 1 . GLN 41 41 19255 1 . ILE 42 42 19255 1 . PHE 43 43 19255 1 . CYS 44 44 19255 1 . HIS 45 45 19255 1 . ASN 46 46 19255 1 . ASP 47 47 19255 1 . ALA 48 48 19255 1 . PRO 49 49 19255 1 . GLU 50 50 19255 1 . THR 51 51 19255 1 . ILE 52 52 19255 1 . THR 53 53 19255 1 . ASP 54 54 19255 1 . TYR 55 55 19255 1 . VAL 56 56 19255 1 . THR 57 57 19255 1 . LEU 58 58 19255 1 . GLN 59 59 19255 1 . ARG 60 60 19255 1 . GLY 61 61 19255 1 . SER 62 62 19255 1 . ALA 63 63 19255 1 . TYR 64 64 19255 1 . GLY 65 65 19255 1 . GLY 66 66 19255 1 . VAL 67 67 19255 1 . LEU 68 68 19255 1 . SER 69 69 19255 1 . ASN 70 70 19255 1 . PHE 71 71 19255 1 . SER 72 72 19255 1 . GLY 73 73 19255 1 . THR 74 74 19255 1 . VAL 75 75 19255 1 . LYS 76 76 19255 1 . TYR 77 77 19255 1 . SER 78 78 19255 1 . GLY 79 79 19255 1 . SER 80 80 19255 1 . SER 81 81 19255 1 . TYR 82 82 19255 1 . PRO 83 83 19255 1 . PHE 84 84 19255 1 . PRO 85 85 19255 1 . THR 86 86 19255 1 . THR 87 87 19255 1 . SER 88 88 19255 1 . GLU 89 89 19255 1 . THR 90 90 19255 1 . PRO 91 91 19255 1 . ARG 92 92 19255 1 . VAL 93 93 19255 1 . VAL 94 94 19255 1 . TYR 95 95 19255 1 . ASN 96 96 19255 1 . SER 97 97 19255 1 . ARG 98 98 19255 1 . THR 99 99 19255 1 . ASP 100 100 19255 1 . LYS 101 101 19255 1 . PRO 102 102 19255 1 . TRP 103 103 19255 1 . PRO 104 104 19255 1 . VAL 105 105 19255 1 . ALA 106 106 19255 1 . LEU 107 107 19255 1 . TYR 108 108 19255 1 . LEU 109 109 19255 1 . THR 110 110 19255 1 . PRO 111 111 19255 1 . VAL 112 112 19255 1 . SER 113 113 19255 1 . SER 114 114 19255 1 . ALA 115 115 19255 1 . GLY 116 116 19255 1 . GLY 117 117 19255 1 . VAL 118 118 19255 1 . ALA 119 119 19255 1 . ILE 120 120 19255 1 . LYS 121 121 19255 1 . ALA 122 122 19255 1 . GLY 123 123 19255 1 . SER 124 124 19255 1 . LEU 125 125 19255 1 . ILE 126 126 19255 1 . ALA 127 127 19255 1 . VAL 128 128 19255 1 . LEU 129 129 19255 1 . ILE 130 130 19255 1 . LEU 131 131 19255 1 . ARG 132 132 19255 1 . GLN 133 133 19255 1 . THR 134 134 19255 1 . ASN 135 135 19255 1 . ASN 136 136 19255 1 . TYR 137 137 19255 1 . ASN 138 138 19255 1 . SER 139 139 19255 1 . ASP 140 140 19255 1 . ASP 141 141 19255 1 . PHE 142 142 19255 1 . GLN 143 143 19255 1 . PHE 144 144 19255 1 . VAL 145 145 19255 1 . TRP 146 146 19255 1 . ASN 147 147 19255 1 . ILE 148 148 19255 1 . TYR 149 149 19255 1 . ALA 150 150 19255 1 . ASN 151 151 19255 1 . ASN 152 152 19255 1 . ASP 153 153 19255 1 . VAL 154 154 19255 1 . VAL 155 155 19255 1 . VAL 156 156 19255 1 . PRO 157 157 19255 1 . THR 158 158 19255 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19255 _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 $FIMH_Y48A_mutant . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli J96 . . . . . . . . . . . 'N-TERMINAL LECTIN DOMAIN, RESIDUES 22-179' 19255 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 19255 _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 $FIMH_Y48A_mutant . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . pET24a . . . 19255 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19255 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FimH_Y48A 0.0011 M, sodium phosphate 0.020000 M, sodium chloride 0.100000 M' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'FIMH Y48A mutant' '[U-100% 15N]' . . 1 $FIMH_Y48A_mutant . . 0.0011 . . M . . . . 19255 1 2 'sodium phosphate' 'natural abundance' . . . . . . 0.02 . . M . . . . 19255 1 3 'sodium chloride' 'natural abundance' . . . . . . 0.1 . . M . . . . 19255 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19255 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19255 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19255 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.0], temp [298], pressure [1.0], ionStrength [0.0]' 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' 0.12 . M 19255 1 pH 6.000 . pH 19255 1 pressure 1.000 . atm 19255 1 temperature 298.000 . K 19255 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19255 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.1 _Software.DOI . _Software.Details . save_ save_nmrDraw_any _Software.Sf_category software _Software.Sf_framecode nmrDraw_any _Software.Entry_ID 19255 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version any _Software.DOI . _Software.Details . save_ save_nmrPipe_any _Software.Sf_category software _Software.Sf_framecode nmrPipe_any _Software.Entry_ID 19255 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version any _Software.DOI . _Software.Details . save_ save_Recoord _Method.Sf_category method _Method.Sf_framecode Recoord _Method.Entry_ID 19255 _Method.ID 1 _Method.Derivation_type . _Method.Details Recoord _Method.Computer_ID . _Method.Computer_label . 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 19255 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Direct-Drive _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19255 _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 Varian Direct-Drive . 600 . . . 19255 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 19255 _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 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19255 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19255 1 3 '2D 1H-15N HSQC (inverse recovery)' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19255 1 4 '2D 1H-15N HSQC (CPMG)' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19255 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 19255 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 HDO proton . . . . ppm 4.7 internal indirect 1 . . . . . 19255 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19255 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zpd/ebi/EBI-55996.csh' _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' 1 $sample_1 solution 19255 1 2 '3D 1H-15N NOESY' 1 $sample_1 solution 19255 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 6.78866 0 . . . . . . . 2 ALA H . 19255 1 2 . 1 1 2 2 ALA N N 15 129.16984 0 . . . . . . . 2 ALA N . 19255 1 3 . 1 1 3 3 CYS H H 1 7.79390 0 . . . . . . . 3 CYS H . 19255 1 4 . 1 1 3 3 CYS N N 15 112.24906 0 . . . . . . . 3 CYS N . 19255 1 5 . 1 1 4 4 LYS H H 1 10.00162 0 . . . . . . . 4 LYS H . 19255 1 6 . 1 1 4 4 LYS N N 15 121.24398 0 . . . . . . . 4 LYS N . 19255 1 7 . 1 1 5 5 THR H H 1 8.80318 0 . . . . . . . 5 THR H . 19255 1 8 . 1 1 5 5 THR N N 15 109.53710 0 . . . . . . . 5 THR N . 19255 1 9 . 1 1 6 6 ALA H H 1 8.67880 0 . . . . . . . 6 ALA H . 19255 1 10 . 1 1 6 6 ALA N N 15 123.50651 0 . . . . . . . 6 ALA N . 19255 1 11 . 1 1 7 7 ASN H H 1 8.14324 0 . . . . . . . 7 ASN H . 19255 1 12 . 1 1 7 7 ASN HD21 H 1 7.09079 0 . . . . . . . 7 ASN HD21 . 19255 1 13 . 1 1 7 7 ASN HD22 H 1 7.83010 0 . . . . . . . 7 ASN HD22 . 19255 1 14 . 1 1 7 7 ASN N N 15 112.98622 0 . . . . . . . 7 ASN N . 19255 1 15 . 1 1 7 7 ASN ND2 N 15 112.61949 0 . . . . . . . 7 ASN ND2 . 19255 1 16 . 1 1 8 8 GLY H H 1 8.08212 0 . . . . . . . 8 GLY H . 19255 1 17 . 1 1 8 8 GLY N N 15 107.78406 0 . . . . . . . 8 GLY N . 19255 1 18 . 1 1 9 9 THR H H 1 7.78124 0 . . . . . . . 9 THR H . 19255 1 19 . 1 1 9 9 THR N N 15 118.44485 0 . . . . . . . 9 THR N . 19255 1 20 . 1 1 10 10 ALA H H 1 8.74270 0 . . . . . . . 10 ALA H . 19255 1 21 . 1 1 10 10 ALA N N 15 128.22905 0 . . . . . . . 10 ALA N . 19255 1 22 . 1 1 11 11 ILE H H 1 8.44355 0 . . . . . . . 11 ILE H . 19255 1 23 . 1 1 11 11 ILE N N 15 120.74703 0 . . . . . . . 11 ILE N . 19255 1 24 . 1 1 13 13 ILE H H 1 7.72431 0 . . . . . . . 13 ILE H . 19255 1 25 . 1 1 13 13 ILE N N 15 115.68015 0 . . . . . . . 13 ILE N . 19255 1 26 . 1 1 14 14 GLY H H 1 8.27253 0 . . . . . . . 14 GLY H . 19255 1 27 . 1 1 14 14 GLY N N 15 116.28567 0 . . . . . . . 14 GLY N . 19255 1 28 . 1 1 15 15 GLY H H 1 7.61257 0 . . . . . . . 15 GLY H . 19255 1 29 . 1 1 15 15 GLY N N 15 108.84118 0 . . . . . . . 15 GLY N . 19255 1 30 . 1 1 16 16 GLY H H 1 7.55402 0 . . . . . . . 16 GLY H . 19255 1 31 . 1 1 16 16 GLY N N 15 104.13034 0 . . . . . . . 16 GLY N . 19255 1 32 . 1 1 17 17 SER H H 1 8.33551 0 . . . . . . . 17 SER H . 19255 1 33 . 1 1 17 17 SER N N 15 115.57772 0 . . . . . . . 17 SER N . 19255 1 34 . 1 1 18 18 ALA H H 1 8.53339 0 . . . . . . . 18 ALA H . 19255 1 35 . 1 1 18 18 ALA N N 15 122.29101 0 . . . . . . . 18 ALA N . 19255 1 36 . 1 1 19 19 ASN H H 1 8.68622 0 . . . . . . . 19 ASN H . 19255 1 37 . 1 1 19 19 ASN HD21 H 1 6.95268 0 . . . . . . . 19 ASN HD21 . 19255 1 38 . 1 1 19 19 ASN HD22 H 1 7.39589 0 . . . . . . . 19 ASN HD22 . 19255 1 39 . 1 1 19 19 ASN N N 15 119.17091 0 . . . . . . . 19 ASN N . 19255 1 40 . 1 1 19 19 ASN ND2 N 15 112.45982 0 . . . . . . . 19 ASN ND2 . 19255 1 41 . 1 1 20 20 VAL H H 1 9.50748 0 . . . . . . . 20 VAL H . 19255 1 42 . 1 1 20 20 VAL N N 15 124.22688 0 . . . . . . . 20 VAL N . 19255 1 43 . 1 1 21 21 TYR H H 1 8.87416 0 . . . . . . . 21 TYR H . 19255 1 44 . 1 1 21 21 TYR N N 15 128.46532 0 . . . . . . . 21 TYR N . 19255 1 45 . 1 1 22 22 VAL H H 1 8.74259 0 . . . . . . . 22 VAL H . 19255 1 46 . 1 1 22 22 VAL N N 15 116.15927 0 . . . . . . . 22 VAL N . 19255 1 47 . 1 1 23 23 ASN H H 1 8.90350 0 . . . . . . . 23 ASN H . 19255 1 48 . 1 1 23 23 ASN HD21 H 1 7.09430 0 . . . . . . . 23 ASN HD21 . 19255 1 49 . 1 1 23 23 ASN HD22 H 1 7.65106 0 . . . . . . . 23 ASN HD22 . 19255 1 50 . 1 1 23 23 ASN N N 15 124.28612 0 . . . . . . . 23 ASN N . 19255 1 51 . 1 1 23 23 ASN ND2 N 15 114.45650 0 . . . . . . . 23 ASN ND2 . 19255 1 52 . 1 1 24 24 LEU H H 1 9.09496 0 . . . . . . . 24 LEU H . 19255 1 53 . 1 1 24 24 LEU N N 15 124.58135 0 . . . . . . . 24 LEU N . 19255 1 54 . 1 1 25 25 ALA H H 1 7.90067 0 . . . . . . . 25 ALA H . 19255 1 55 . 1 1 25 25 ALA N N 15 128.92936 0 . . . . . . . 25 ALA N . 19255 1 56 . 1 1 27 27 VAL H H 1 7.34738 0 . . . . . . . 27 VAL H . 19255 1 57 . 1 1 27 27 VAL N N 15 118.12124 0 . . . . . . . 27 VAL N . 19255 1 58 . 1 1 28 28 VAL H H 1 8.63143 0 . . . . . . . 28 VAL H . 19255 1 59 . 1 1 28 28 VAL N N 15 126.60545 0 . . . . . . . 28 VAL N . 19255 1 60 . 1 1 29 29 ASN H H 1 8.10306 0 . . . . . . . 29 ASN H . 19255 1 61 . 1 1 29 29 ASN HD21 H 1 6.82487 0 . . . . . . . 29 ASN HD21 . 19255 1 62 . 1 1 29 29 ASN HD22 H 1 7.32374 0 . . . . . . . 29 ASN HD22 . 19255 1 63 . 1 1 29 29 ASN N N 15 121.60292 0 . . . . . . . 29 ASN N . 19255 1 64 . 1 1 29 29 ASN ND2 N 15 111.53542 0 . . . . . . . 29 ASN ND2 . 19255 1 65 . 1 1 30 30 VAL H H 1 8.61717 0 . . . . . . . 30 VAL H . 19255 1 66 . 1 1 30 30 VAL N N 15 119.45864 0 . . . . . . . 30 VAL N . 19255 1 67 . 1 1 31 31 GLY H H 1 8.79128 0 . . . . . . . 31 GLY H . 19255 1 68 . 1 1 31 31 GLY N N 15 115.24651 0 . . . . . . . 31 GLY N . 19255 1 69 . 1 1 32 32 GLN H H 1 8.11971 0 . . . . . . . 32 GLN H . 19255 1 70 . 1 1 32 32 GLN HE21 H 1 6.91914 0 . . . . . . . 32 GLN HE21 . 19255 1 71 . 1 1 32 32 GLN HE22 H 1 7.65499 0 . . . . . . . 32 GLN HE22 . 19255 1 72 . 1 1 32 32 GLN N N 15 120.00801 0 . . . . . . . 32 GLN N . 19255 1 73 . 1 1 32 32 GLN NE2 N 15 113.15714 0 . . . . . . . 32 GLN NE2 . 19255 1 74 . 1 1 33 33 ASN H H 1 8.51398 0 . . . . . . . 33 ASN H . 19255 1 75 . 1 1 33 33 ASN HD21 H 1 6.88373 0 . . . . . . . 33 ASN HD21 . 19255 1 76 . 1 1 33 33 ASN HD22 H 1 7.46090 0 . . . . . . . 33 ASN HD22 . 19255 1 77 . 1 1 33 33 ASN N N 15 116.78802 0 . . . . . . . 33 ASN N . 19255 1 78 . 1 1 33 33 ASN ND2 N 15 112.03235 0 . . . . . . . 33 ASN ND2 . 19255 1 79 . 1 1 34 34 LEU H H 1 9.83780 0 . . . . . . . 34 LEU H . 19255 1 80 . 1 1 34 34 LEU N N 15 126.42075 0 . . . . . . . 34 LEU N . 19255 1 81 . 1 1 35 35 VAL H H 1 8.62215 0 . . . . . . . 35 VAL H . 19255 1 82 . 1 1 35 35 VAL N N 15 127.49928 0 . . . . . . . 35 VAL N . 19255 1 83 . 1 1 36 36 VAL H H 1 8.94314 0 . . . . . . . 36 VAL H . 19255 1 84 . 1 1 36 36 VAL N N 15 129.24114 0 . . . . . . . 36 VAL N . 19255 1 85 . 1 1 37 37 ASP H H 1 8.98568 0 . . . . . . . 37 ASP H . 19255 1 86 . 1 1 37 37 ASP N N 15 126.57866 0 . . . . . . . 37 ASP N . 19255 1 87 . 1 1 38 38 LEU H H 1 8.50509 0 . . . . . . . 38 LEU H . 19255 1 88 . 1 1 38 38 LEU N N 15 125.36540 0 . . . . . . . 38 LEU N . 19255 1 89 . 1 1 39 39 SER H H 1 8.71952 0 . . . . . . . 39 SER H . 19255 1 90 . 1 1 39 39 SER N N 15 120.31867 0 . . . . . . . 39 SER N . 19255 1 91 . 1 1 40 40 THR H H 1 6.65887 0 . . . . . . . 40 THR H . 19255 1 92 . 1 1 40 40 THR N N 15 105.62532 0 . . . . . . . 40 THR N . 19255 1 93 . 1 1 41 41 GLN H H 1 7.58530 0 . . . . . . . 41 GLN H . 19255 1 94 . 1 1 41 41 GLN HE21 H 1 6.80403 0 . . . . . . . 41 GLN HE21 . 19255 1 95 . 1 1 41 41 GLN HE22 H 1 7.47859 0 . . . . . . . 41 GLN HE22 . 19255 1 96 . 1 1 41 41 GLN N N 15 117.31673 0 . . . . . . . 41 GLN N . 19255 1 97 . 1 1 41 41 GLN NE2 N 15 112.32923 0 . . . . . . . 41 GLN NE2 . 19255 1 98 . 1 1 42 42 ILE H H 1 7.21269 0 . . . . . . . 42 ILE H . 19255 1 99 . 1 1 42 42 ILE N N 15 118.12800 0 . . . . . . . 42 ILE N . 19255 1 100 . 1 1 43 43 PHE H H 1 8.55309 0 . . . . . . . 43 PHE H . 19255 1 101 . 1 1 43 43 PHE N N 15 123.53125 0 . . . . . . . 43 PHE N . 19255 1 102 . 1 1 44 44 CYS H H 1 9.19320 0 . . . . . . . 44 CYS H . 19255 1 103 . 1 1 44 44 CYS N N 15 118.09813 0 . . . . . . . 44 CYS N . 19255 1 104 . 1 1 45 45 HIS H H 1 7.46511 0 . . . . . . . 45 HIS H . 19255 1 105 . 1 1 45 45 HIS N N 15 112.68893 0 . . . . . . . 45 HIS N . 19255 1 106 . 1 1 46 46 ASN H H 1 7.78354 0 . . . . . . . 46 ASN H . 19255 1 107 . 1 1 46 46 ASN N N 15 118.73702 0 . . . . . . . 46 ASN N . 19255 1 108 . 1 1 47 47 ASP H H 1 9.41947 0 . . . . . . . 47 ASP H . 19255 1 109 . 1 1 47 47 ASP N N 15 123.88724 0 . . . . . . . 47 ASP N . 19255 1 110 . 1 1 48 48 ALA H H 1 9.59463 0.00596 . . . . . . . 48 ALA H . 19255 1 111 . 1 1 48 48 ALA N N 15 124.94477 0.00270 . . . . . . . 48 ALA N . 19255 1 112 . 1 1 50 50 GLU H H 1 8.97149 0 . . . . . . . 50 GLU H . 19255 1 113 . 1 1 50 50 GLU N N 15 118.71759 0 . . . . . . . 50 GLU N . 19255 1 114 . 1 1 51 51 THR H H 1 7.60711 0 . . . . . . . 51 THR H . 19255 1 115 . 1 1 51 51 THR N N 15 106.47418 0 . . . . . . . 51 THR N . 19255 1 116 . 1 1 52 52 ILE H H 1 8.25189 0 . . . . . . . 52 ILE H . 19255 1 117 . 1 1 52 52 ILE N N 15 123.92385 0 . . . . . . . 52 ILE N . 19255 1 118 . 1 1 53 53 THR H H 1 8.46453 0 . . . . . . . 53 THR H . 19255 1 119 . 1 1 53 53 THR N N 15 123.80841 0 . . . . . . . 53 THR N . 19255 1 120 . 1 1 54 54 ASP H H 1 6.89766 0 . . . . . . . 54 ASP H . 19255 1 121 . 1 1 54 54 ASP N N 15 124.90601 0 . . . . . . . 54 ASP N . 19255 1 122 . 1 1 55 55 TYR H H 1 8.80844 0 . . . . . . . 55 TYR H . 19255 1 123 . 1 1 55 55 TYR N N 15 121.13738 0 . . . . . . . 55 TYR N . 19255 1 124 . 1 1 56 56 VAL H H 1 9.25935 0 . . . . . . . 56 VAL H . 19255 1 125 . 1 1 56 56 VAL N N 15 121.47371 0 . . . . . . . 56 VAL N . 19255 1 126 . 1 1 57 57 THR H H 1 9.64564 0 . . . . . . . 57 THR H . 19255 1 127 . 1 1 57 57 THR N N 15 123.65212 0 . . . . . . . 57 THR N . 19255 1 128 . 1 1 58 58 LEU H H 1 7.42380 0 . . . . . . . 58 LEU H . 19255 1 129 . 1 1 58 58 LEU N N 15 120.38492 0 . . . . . . . 58 LEU N . 19255 1 130 . 1 1 59 59 GLN H H 1 9.21656 0 . . . . . . . 59 GLN H . 19255 1 131 . 1 1 59 59 GLN HE21 H 1 6.59354 0 . . . . . . . 59 GLN HE21 . 19255 1 132 . 1 1 59 59 GLN HE22 H 1 7.22308 0 . . . . . . . 59 GLN HE22 . 19255 1 133 . 1 1 59 59 GLN N N 15 130.94001 0 . . . . . . . 59 GLN N . 19255 1 134 . 1 1 59 59 GLN NE2 N 15 108.45854 0 . . . . . . . 59 GLN NE2 . 19255 1 135 . 1 1 60 60 ARG H H 1 7.12996 0 . . . . . . . 60 ARG H . 19255 1 136 . 1 1 60 60 ARG HE H 1 7.13714 0 . . . . . . . 60 ARG HE . 19255 1 137 . 1 1 60 60 ARG N N 15 112.70820 0 . . . . . . . 60 ARG N . 19255 1 138 . 1 1 60 60 ARG NE N 15 84.31290 0 . . . . . . . 60 ARG NE . 19255 1 139 . 1 1 61 61 GLY H H 1 9.31419 0 . . . . . . . 61 GLY H . 19255 1 140 . 1 1 61 61 GLY N N 15 112.70062 0 . . . . . . . 61 GLY N . 19255 1 141 . 1 1 62 62 SER H H 1 9.15015 0 . . . . . . . 62 SER H . 19255 1 142 . 1 1 62 62 SER N N 15 122.20833 0 . . . . . . . 62 SER N . 19255 1 143 . 1 1 63 63 ALA H H 1 8.12546 0 . . . . . . . 63 ALA H . 19255 1 144 . 1 1 63 63 ALA N N 15 125.90309 0 . . . . . . . 63 ALA N . 19255 1 145 . 1 1 64 64 TYR H H 1 7.64045 0 . . . . . . . 64 TYR H . 19255 1 146 . 1 1 64 64 TYR N N 15 116.13553 0 . . . . . . . 64 TYR N . 19255 1 147 . 1 1 65 65 GLY H H 1 8.93962 0 . . . . . . . 65 GLY H . 19255 1 148 . 1 1 65 65 GLY N N 15 108.39936 0 . . . . . . . 65 GLY N . 19255 1 149 . 1 1 66 66 GLY H H 1 9.64479 0 . . . . . . . 66 GLY H . 19255 1 150 . 1 1 66 66 GLY N N 15 114.64713 0 . . . . . . . 66 GLY N . 19255 1 151 . 1 1 67 67 VAL H H 1 7.66892 0 . . . . . . . 67 VAL H . 19255 1 152 . 1 1 67 67 VAL N N 15 119.71390 0 . . . . . . . 67 VAL N . 19255 1 153 . 1 1 68 68 LEU H H 1 6.57313 0 . . . . . . . 68 LEU H . 19255 1 154 . 1 1 68 68 LEU N N 15 118.77115 0 . . . . . . . 68 LEU N . 19255 1 155 . 1 1 69 69 SER H H 1 7.88211 0 . . . . . . . 69 SER H . 19255 1 156 . 1 1 69 69 SER N N 15 109.30434 0 . . . . . . . 69 SER N . 19255 1 157 . 1 1 70 70 ASN H H 1 8.10547 0 . . . . . . . 70 ASN H . 19255 1 158 . 1 1 70 70 ASN HD21 H 1 7.33928 0 . . . . . . . 70 ASN HD21 . 19255 1 159 . 1 1 70 70 ASN HD22 H 1 7.89919 0 . . . . . . . 70 ASN HD22 . 19255 1 160 . 1 1 70 70 ASN N N 15 114.27093 0 . . . . . . . 70 ASN N . 19255 1 161 . 1 1 70 70 ASN ND2 N 15 116.97080 0 . . . . . . . 70 ASN ND2 . 19255 1 162 . 1 1 71 71 PHE H H 1 7.86793 0 . . . . . . . 71 PHE H . 19255 1 163 . 1 1 71 71 PHE N N 15 116.99563 0 . . . . . . . 71 PHE N . 19255 1 164 . 1 1 72 72 SER H H 1 9.19566 0 . . . . . . . 72 SER H . 19255 1 165 . 1 1 72 72 SER N N 15 115.36688 0 . . . . . . . 72 SER N . 19255 1 166 . 1 1 73 73 GLY H H 1 8.93463 0 . . . . . . . 73 GLY H . 19255 1 167 . 1 1 73 73 GLY N N 15 109.68365 0 . . . . . . . 73 GLY N . 19255 1 168 . 1 1 74 74 THR H H 1 8.69480 0 . . . . . . . 74 THR H . 19255 1 169 . 1 1 74 74 THR N N 15 111.86074 0 . . . . . . . 74 THR N . 19255 1 170 . 1 1 75 75 VAL H H 1 9.57498 0 . . . . . . . 75 VAL H . 19255 1 171 . 1 1 75 75 VAL N N 15 119.75318 0 . . . . . . . 75 VAL N . 19255 1 172 . 1 1 76 76 LYS H H 1 9.48374 0 . . . . . . . 76 LYS H . 19255 1 173 . 1 1 76 76 LYS N N 15 128.25656 0 . . . . . . . 76 LYS N . 19255 1 174 . 1 1 77 77 TYR H H 1 9.36052 0 . . . . . . . 77 TYR H . 19255 1 175 . 1 1 77 77 TYR N N 15 125.55995 0 . . . . . . . 77 TYR N . 19255 1 176 . 1 1 78 78 SER H H 1 8.87141 0 . . . . . . . 78 SER H . 19255 1 177 . 1 1 78 78 SER N N 15 125.31728 0 . . . . . . . 78 SER N . 19255 1 178 . 1 1 79 79 GLY H H 1 8.72177 0 . . . . . . . 79 GLY H . 19255 1 179 . 1 1 79 79 GLY N N 15 105.22046 0 . . . . . . . 79 GLY N . 19255 1 180 . 1 1 80 80 SER H H 1 7.50953 0 . . . . . . . 80 SER H . 19255 1 181 . 1 1 80 80 SER N N 15 117.19976 0 . . . . . . . 80 SER N . 19255 1 182 . 1 1 81 81 SER H H 1 8.30643 0 . . . . . . . 81 SER H . 19255 1 183 . 1 1 81 81 SER N N 15 118.02933 0 . . . . . . . 81 SER N . 19255 1 184 . 1 1 82 82 TYR H H 1 9.21535 0 . . . . . . . 82 TYR H . 19255 1 185 . 1 1 82 82 TYR N N 15 123.76452 0 . . . . . . . 82 TYR N . 19255 1 186 . 1 1 84 84 PHE H H 1 7.50369 0 . . . . . . . 84 PHE H . 19255 1 187 . 1 1 84 84 PHE N N 15 119.39808 0 . . . . . . . 84 PHE N . 19255 1 188 . 1 1 86 86 THR H H 1 8.34254 0 . . . . . . . 86 THR H . 19255 1 189 . 1 1 86 86 THR N N 15 113.67125 0 . . . . . . . 86 THR N . 19255 1 190 . 1 1 87 87 THR H H 1 8.77847 0 . . . . . . . 87 THR H . 19255 1 191 . 1 1 87 87 THR N N 15 110.27300 0 . . . . . . . 87 THR N . 19255 1 192 . 1 1 88 88 SER H H 1 7.68867 0 . . . . . . . 88 SER H . 19255 1 193 . 1 1 88 88 SER N N 15 116.25114 0 . . . . . . . 88 SER N . 19255 1 194 . 1 1 89 89 GLU H H 1 8.40548 0 . . . . . . . 89 GLU H . 19255 1 195 . 1 1 89 89 GLU N N 15 124.55261 0 . . . . . . . 89 GLU N . 19255 1 196 . 1 1 90 90 THR H H 1 7.57593 0 . . . . . . . 90 THR H . 19255 1 197 . 1 1 90 90 THR N N 15 116.94953 0 . . . . . . . 90 THR N . 19255 1 198 . 1 1 92 92 ARG H H 1 8.20401 0 . . . . . . . 92 ARG H . 19255 1 199 . 1 1 92 92 ARG HE H 1 6.88276 0 . . . . . . . 92 ARG HE . 19255 1 200 . 1 1 92 92 ARG N N 15 117.52330 0 . . . . . . . 92 ARG N . 19255 1 201 . 1 1 92 92 ARG NE N 15 83.60225 0 . . . . . . . 92 ARG NE . 19255 1 202 . 1 1 93 93 VAL H H 1 9.22639 0 . . . . . . . 93 VAL H . 19255 1 203 . 1 1 93 93 VAL N N 15 121.34319 0 . . . . . . . 93 VAL N . 19255 1 204 . 1 1 94 94 VAL H H 1 8.48395 0 . . . . . . . 94 VAL H . 19255 1 205 . 1 1 94 94 VAL N N 15 125.36540 0 . . . . . . . 94 VAL N . 19255 1 206 . 1 1 95 95 TYR H H 1 9.14305 0 . . . . . . . 95 TYR H . 19255 1 207 . 1 1 95 95 TYR N N 15 126.41740 0 . . . . . . . 95 TYR N . 19255 1 208 . 1 1 96 96 ASN H H 1 9.15385 0 . . . . . . . 96 ASN H . 19255 1 209 . 1 1 96 96 ASN HD21 H 1 6.86182 0 . . . . . . . 96 ASN HD21 . 19255 1 210 . 1 1 96 96 ASN HD22 H 1 7.62100 0 . . . . . . . 96 ASN HD22 . 19255 1 211 . 1 1 96 96 ASN N N 15 124.31649 0 . . . . . . . 96 ASN N . 19255 1 212 . 1 1 96 96 ASN ND2 N 15 110.50236 0 . . . . . . . 96 ASN ND2 . 19255 1 213 . 1 1 97 97 SER H H 1 7.40635 0 . . . . . . . 97 SER H . 19255 1 214 . 1 1 97 97 SER N N 15 109.65279 0 . . . . . . . 97 SER N . 19255 1 215 . 1 1 98 98 ARG H H 1 9.42436 0 . . . . . . . 98 ARG H . 19255 1 216 . 1 1 98 98 ARG HE H 1 7.30693 0 . . . . . . . 98 ARG HE . 19255 1 217 . 1 1 98 98 ARG N N 15 128.88217 0 . . . . . . . 98 ARG N . 19255 1 218 . 1 1 98 98 ARG NE N 15 84.96181 0 . . . . . . . 98 ARG NE . 19255 1 219 . 1 1 99 99 THR H H 1 8.31773 0 . . . . . . . 99 THR H . 19255 1 220 . 1 1 99 99 THR N N 15 116.79467 0 . . . . . . . 99 THR N . 19255 1 221 . 1 1 100 100 ASP H H 1 8.46808 0 . . . . . . . 100 ASP H . 19255 1 222 . 1 1 100 100 ASP N N 15 126.17244 0 . . . . . . . 100 ASP N . 19255 1 223 . 1 1 101 101 LYS H H 1 9.39072 0 . . . . . . . 101 LYS H . 19255 1 224 . 1 1 101 101 LYS N N 15 124.70455 0 . . . . . . . 101 LYS N . 19255 1 225 . 1 1 103 103 TRP H H 1 8.34440 0 . . . . . . . 103 TRP H . 19255 1 226 . 1 1 103 103 TRP HE1 H 1 9.04644 0 . . . . . . . 103 TRP HE1 . 19255 1 227 . 1 1 103 103 TRP N N 15 128.40256 0 . . . . . . . 103 TRP N . 19255 1 228 . 1 1 103 103 TRP NE1 N 15 128.07575 0 . . . . . . . 103 TRP NE1 . 19255 1 229 . 1 1 105 105 VAL H H 1 8.08888 0 . . . . . . . 105 VAL H . 19255 1 230 . 1 1 105 105 VAL N N 15 125.75676 0 . . . . . . . 105 VAL N . 19255 1 231 . 1 1 106 106 ALA H H 1 8.37391 0 . . . . . . . 106 ALA H . 19255 1 232 . 1 1 106 106 ALA N N 15 125.89023 0 . . . . . . . 106 ALA N . 19255 1 233 . 1 1 107 107 LEU H H 1 8.64936 0 . . . . . . . 107 LEU H . 19255 1 234 . 1 1 107 107 LEU N N 15 120.14294 0 . . . . . . . 107 LEU N . 19255 1 235 . 1 1 108 108 TYR H H 1 8.95075 0 . . . . . . . 108 TYR H . 19255 1 236 . 1 1 108 108 TYR N N 15 123.33578 0 . . . . . . . 108 TYR N . 19255 1 237 . 1 1 109 109 LEU H H 1 9.01860 0 . . . . . . . 109 LEU H . 19255 1 238 . 1 1 109 109 LEU N N 15 124.99814 0 . . . . . . . 109 LEU N . 19255 1 239 . 1 1 110 110 THR H H 1 9.64406 0 . . . . . . . 110 THR H . 19255 1 240 . 1 1 110 110 THR N N 15 120.40145 0 . . . . . . . 110 THR N . 19255 1 241 . 1 1 112 112 VAL H H 1 8.09132 0 . . . . . . . 112 VAL H . 19255 1 242 . 1 1 112 112 VAL N N 15 118.33551 0 . . . . . . . 112 VAL N . 19255 1 243 . 1 1 113 113 SER H H 1 8.31478 0 . . . . . . . 113 SER H . 19255 1 244 . 1 1 113 113 SER N N 15 114.86049 0 . . . . . . . 113 SER N . 19255 1 245 . 1 1 114 114 SER H H 1 7.73010 0 . . . . . . . 114 SER H . 19255 1 246 . 1 1 114 114 SER N N 15 112.80350 0 . . . . . . . 114 SER N . 19255 1 247 . 1 1 115 115 ALA H H 1 7.73922 0 . . . . . . . 115 ALA H . 19255 1 248 . 1 1 115 115 ALA N N 15 126.06817 0 . . . . . . . 115 ALA N . 19255 1 249 . 1 1 116 116 GLY H H 1 8.11857 0 . . . . . . . 116 GLY H . 19255 1 250 . 1 1 116 116 GLY N N 15 106.52736 0 . . . . . . . 116 GLY N . 19255 1 251 . 1 1 117 117 GLY H H 1 8.64779 0 . . . . . . . 117 GLY H . 19255 1 252 . 1 1 117 117 GLY N N 15 111.76920 0 . . . . . . . 117 GLY N . 19255 1 253 . 1 1 118 118 VAL H H 1 8.62163 0 . . . . . . . 118 VAL H . 19255 1 254 . 1 1 118 118 VAL N N 15 122.55194 0 . . . . . . . 118 VAL N . 19255 1 255 . 1 1 119 119 ALA H H 1 9.10129 0 . . . . . . . 119 ALA H . 19255 1 256 . 1 1 119 119 ALA N N 15 134.67730 0 . . . . . . . 119 ALA N . 19255 1 257 . 1 1 120 120 ILE H H 1 7.62826 0 . . . . . . . 120 ILE H . 19255 1 258 . 1 1 120 120 ILE N N 15 115.64396 0 . . . . . . . 120 ILE N . 19255 1 259 . 1 1 121 121 LYS H H 1 8.41122 0 . . . . . . . 121 LYS H . 19255 1 260 . 1 1 121 121 LYS N N 15 125.64257 0 . . . . . . . 121 LYS N . 19255 1 261 . 1 1 122 122 ALA H H 1 9.83224 0 . . . . . . . 122 ALA H . 19255 1 262 . 1 1 122 122 ALA N N 15 129.02456 0 . . . . . . . 122 ALA N . 19255 1 263 . 1 1 123 123 GLY H H 1 9.05948 0 . . . . . . . 123 GLY H . 19255 1 264 . 1 1 123 123 GLY N N 15 111.86906 0 . . . . . . . 123 GLY N . 19255 1 265 . 1 1 124 124 SER H H 1 8.07658 0 . . . . . . . 124 SER H . 19255 1 266 . 1 1 124 124 SER N N 15 115.03589 0 . . . . . . . 124 SER N . 19255 1 267 . 1 1 125 125 LEU H H 1 8.24843 0 . . . . . . . 125 LEU H . 19255 1 268 . 1 1 125 125 LEU N N 15 123.97913 0 . . . . . . . 125 LEU N . 19255 1 269 . 1 1 126 126 ILE H H 1 9.07937 0 . . . . . . . 126 ILE H . 19255 1 270 . 1 1 126 126 ILE N N 15 119.64020 0 . . . . . . . 126 ILE N . 19255 1 271 . 1 1 127 127 ALA H H 1 7.71383 0 . . . . . . . 127 ALA H . 19255 1 272 . 1 1 127 127 ALA N N 15 120.28178 0 . . . . . . . 127 ALA N . 19255 1 273 . 1 1 128 128 VAL H H 1 8.54795 0 . . . . . . . 128 VAL H . 19255 1 274 . 1 1 128 128 VAL N N 15 119.18673 0 . . . . . . . 128 VAL N . 19255 1 275 . 1 1 129 129 LEU H H 1 9.41155 0 . . . . . . . 129 LEU H . 19255 1 276 . 1 1 129 129 LEU N N 15 128.61247 0 . . . . . . . 129 LEU N . 19255 1 277 . 1 1 130 130 ILE H H 1 9.07419 0 . . . . . . . 130 ILE H . 19255 1 278 . 1 1 130 130 ILE N N 15 121.84137 0 . . . . . . . 130 ILE N . 19255 1 279 . 1 1 131 131 LEU H H 1 9.36227 0 . . . . . . . 131 LEU H . 19255 1 280 . 1 1 131 131 LEU N N 15 134.72223 0 . . . . . . . 131 LEU N . 19255 1 281 . 1 1 132 132 ARG H H 1 9.05250 0 . . . . . . . 132 ARG H . 19255 1 282 . 1 1 132 132 ARG HE H 1 8.57562 0 . . . . . . . 132 ARG HE . 19255 1 283 . 1 1 132 132 ARG N N 15 130.08930 0 . . . . . . . 132 ARG N . 19255 1 284 . 1 1 132 132 ARG NE N 15 86.43757 0 . . . . . . . 132 ARG NE . 19255 1 285 . 1 1 133 133 GLN H H 1 9.46054 0 . . . . . . . 133 GLN H . 19255 1 286 . 1 1 133 133 GLN HE21 H 1 6.07695 0 . . . . . . . 133 GLN HE21 . 19255 1 287 . 1 1 133 133 GLN HE22 H 1 6.96268 0 . . . . . . . 133 GLN HE22 . 19255 1 288 . 1 1 133 133 GLN N N 15 132.87027 0 . . . . . . . 133 GLN N . 19255 1 289 . 1 1 133 133 GLN NE2 N 15 110.21830 0 . . . . . . . 133 GLN NE2 . 19255 1 290 . 1 1 134 134 THR H H 1 8.88185 0 . . . . . . . 134 THR H . 19255 1 291 . 1 1 134 134 THR N N 15 117.90172 0 . . . . . . . 134 THR N . 19255 1 292 . 1 1 135 135 ASN H H 1 9.76333 0 . . . . . . . 135 ASN H . 19255 1 293 . 1 1 135 135 ASN HD21 H 1 7.65051 0 . . . . . . . 135 ASN HD21 . 19255 1 294 . 1 1 135 135 ASN HD22 H 1 7.77677 0 . . . . . . . 135 ASN HD22 . 19255 1 295 . 1 1 135 135 ASN N N 15 117.68470 0 . . . . . . . 135 ASN N . 19255 1 296 . 1 1 135 135 ASN ND2 N 15 116.81314 0 . . . . . . . 135 ASN ND2 . 19255 1 297 . 1 1 136 136 ASN H H 1 8.32100 0 . . . . . . . 136 ASN H . 19255 1 298 . 1 1 136 136 ASN HD21 H 1 7.16831 0 . . . . . . . 136 ASN HD21 . 19255 1 299 . 1 1 136 136 ASN HD22 H 1 7.76391 0 . . . . . . . 136 ASN HD22 . 19255 1 300 . 1 1 136 136 ASN N N 15 115.96942 0 . . . . . . . 136 ASN N . 19255 1 301 . 1 1 136 136 ASN ND2 N 15 112.54896 0 . . . . . . . 136 ASN ND2 . 19255 1 302 . 1 1 137 137 TYR H H 1 9.16133 0 . . . . . . . 137 TYR H . 19255 1 303 . 1 1 137 137 TYR N N 15 123.00450 0 . . . . . . . 137 TYR N . 19255 1 304 . 1 1 138 138 ASN H H 1 9.44239 0 . . . . . . . 138 ASN H . 19255 1 305 . 1 1 138 138 ASN HD21 H 1 6.97154 0 . . . . . . . 138 ASN HD21 . 19255 1 306 . 1 1 138 138 ASN HD22 H 1 7.71952 0 . . . . . . . 138 ASN HD22 . 19255 1 307 . 1 1 138 138 ASN N N 15 121.65048 0 . . . . . . . 138 ASN N . 19255 1 308 . 1 1 138 138 ASN ND2 N 15 111.25276 0 . . . . . . . 138 ASN ND2 . 19255 1 309 . 1 1 139 139 SER H H 1 7.85187 0 . . . . . . . 139 SER H . 19255 1 310 . 1 1 139 139 SER N N 15 111.79638 0 . . . . . . . 139 SER N . 19255 1 311 . 1 1 140 140 ASP H H 1 7.73834 0 . . . . . . . 140 ASP H . 19255 1 312 . 1 1 140 140 ASP N N 15 124.29157 0 . . . . . . . 140 ASP N . 19255 1 313 . 1 1 141 141 ASP H H 1 6.63185 0 . . . . . . . 141 ASP H . 19255 1 314 . 1 1 141 141 ASP N N 15 121.75488 0 . . . . . . . 141 ASP N . 19255 1 315 . 1 1 142 142 PHE H H 1 8.99704 0 . . . . . . . 142 PHE H . 19255 1 316 . 1 1 142 142 PHE N N 15 123.37396 0 . . . . . . . 142 PHE N . 19255 1 317 . 1 1 143 143 GLN H H 1 8.81555 0 . . . . . . . 143 GLN H . 19255 1 318 . 1 1 143 143 GLN HE21 H 1 6.60492 0 . . . . . . . 143 GLN HE21 . 19255 1 319 . 1 1 143 143 GLN HE22 H 1 7.75412 0 . . . . . . . 143 GLN HE22 . 19255 1 320 . 1 1 143 143 GLN N N 15 118.15389 0 . . . . . . . 143 GLN N . 19255 1 321 . 1 1 143 143 GLN NE2 N 15 112.30259 0 . . . . . . . 143 GLN NE2 . 19255 1 322 . 1 1 144 144 PHE H H 1 9.93641 0 . . . . . . . 144 PHE H . 19255 1 323 . 1 1 144 144 PHE N N 15 127.37878 0 . . . . . . . 144 PHE N . 19255 1 324 . 1 1 145 145 VAL H H 1 8.78337 0 . . . . . . . 145 VAL H . 19255 1 325 . 1 1 145 145 VAL N N 15 125.30404 0 . . . . . . . 145 VAL N . 19255 1 326 . 1 1 146 146 TRP H H 1 8.77936 0 . . . . . . . 146 TRP H . 19255 1 327 . 1 1 146 146 TRP HE1 H 1 7.08843 0 . . . . . . . 146 TRP HE1 . 19255 1 328 . 1 1 146 146 TRP N N 15 126.81029 0 . . . . . . . 146 TRP N . 19255 1 329 . 1 1 146 146 TRP NE1 N 15 122.69595 0 . . . . . . . 146 TRP NE1 . 19255 1 330 . 1 1 147 147 ASN H H 1 9.01233 0 . . . . . . . 147 ASN H . 19255 1 331 . 1 1 147 147 ASN HD21 H 1 6.30259 0 . . . . . . . 147 ASN HD21 . 19255 1 332 . 1 1 147 147 ASN HD22 H 1 6.67607 0 . . . . . . . 147 ASN HD22 . 19255 1 333 . 1 1 147 147 ASN N N 15 125.00531 0 . . . . . . . 147 ASN N . 19255 1 334 . 1 1 147 147 ASN ND2 N 15 110.64197 0 . . . . . . . 147 ASN ND2 . 19255 1 335 . 1 1 148 148 ILE H H 1 9.23452 0 . . . . . . . 148 ILE H . 19255 1 336 . 1 1 148 148 ILE N N 15 124.60849 0 . . . . . . . 148 ILE N . 19255 1 337 . 1 1 149 149 TYR H H 1 9.31919 0 . . . . . . . 149 TYR H . 19255 1 338 . 1 1 149 149 TYR N N 15 127.29395 0 . . . . . . . 149 TYR N . 19255 1 339 . 1 1 150 150 ALA H H 1 8.57627 0 . . . . . . . 150 ALA H . 19255 1 340 . 1 1 150 150 ALA N N 15 122.38619 0 . . . . . . . 150 ALA N . 19255 1 341 . 1 1 151 151 ASN H H 1 9.13364 0 . . . . . . . 151 ASN H . 19255 1 342 . 1 1 151 151 ASN HD21 H 1 6.55451 0 . . . . . . . 151 ASN HD21 . 19255 1 343 . 1 1 151 151 ASN HD22 H 1 7.40247 0 . . . . . . . 151 ASN HD22 . 19255 1 344 . 1 1 151 151 ASN N N 15 120.11389 0 . . . . . . . 151 ASN N . 19255 1 345 . 1 1 151 151 ASN ND2 N 15 109.44680 0 . . . . . . . 151 ASN ND2 . 19255 1 346 . 1 1 152 152 ASN H H 1 7.39191 0 . . . . . . . 152 ASN H . 19255 1 347 . 1 1 152 152 ASN HD21 H 1 7.17088 0 . . . . . . . 152 ASN HD21 . 19255 1 348 . 1 1 152 152 ASN HD22 H 1 7.24360 0 . . . . . . . 152 ASN HD22 . 19255 1 349 . 1 1 152 152 ASN N N 15 110.95367 0 . . . . . . . 152 ASN N . 19255 1 350 . 1 1 152 152 ASN ND2 N 15 114.96764 0 . . . . . . . 152 ASN ND2 . 19255 1 351 . 1 1 153 153 ASP H H 1 8.47456 0 . . . . . . . 153 ASP H . 19255 1 352 . 1 1 153 153 ASP N N 15 117.20144 0 . . . . . . . 153 ASP N . 19255 1 353 . 1 1 154 154 VAL H H 1 8.83282 0 . . . . . . . 154 VAL H . 19255 1 354 . 1 1 154 154 VAL N N 15 121.20513 0 . . . . . . . 154 VAL N . 19255 1 355 . 1 1 155 155 VAL H H 1 8.70919 0 . . . . . . . 155 VAL H . 19255 1 356 . 1 1 155 155 VAL N N 15 128.33778 0 . . . . . . . 155 VAL N . 19255 1 357 . 1 1 156 156 VAL H H 1 8.49982 0 . . . . . . . 156 VAL H . 19255 1 358 . 1 1 156 156 VAL N N 15 126.99049 0 . . . . . . . 156 VAL N . 19255 1 359 . 1 1 158 158 THR H H 1 7.64647 0 . . . . . . . 158 THR H . 19255 1 360 . 1 1 158 158 THR N N 15 118.89152 0 . . . . . . . 158 THR N . 19255 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 19255 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 3 '2D 1H-15N HSQC (inverse recovery)' . . . 19255 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ALA N N 15 712.64320 4.13912 . . . . . 19255 1 2 . 1 1 3 3 CYS N N 15 777.49320 8.13914 . . . . . 19255 1 3 . 1 1 4 4 LYS N N 15 756.12207 4.54750 . . . . . 19255 1 4 . 1 1 5 5 THR N N 15 766.45423 8.45645 . . . . . 19255 1 5 . 1 1 6 6 ALA N N 15 796.19737 6.48651 . . . . . 19255 1 6 . 1 1 7 7 ASN N N 15 779.87576 11.02403 . . . . . 19255 1 7 . 1 1 8 8 GLY N N 15 759.90799 7.92591 . . . . . 19255 1 8 . 1 1 10 10 ALA N N 15 796.62113 3.70488 . . . . . 19255 1 9 . 1 1 11 11 ILE N N 15 802.87146 10.81859 . . . . . 19255 1 10 . 1 1 13 13 ILE N N 15 786.99261 15.69692 . . . . . 19255 1 11 . 1 1 14 14 GLY N N 15 720.41283 14.33709 . . . . . 19255 1 12 . 1 1 15 15 GLY N N 15 726.65726 12.21741 . . . . . 19255 1 13 . 1 1 16 16 GLY N N 15 769.12250 8.34321 . . . . . 19255 1 14 . 1 1 17 17 SER N N 15 815.02862 12.77627 . . . . . 19255 1 15 . 1 1 18 18 ALA N N 15 746.47705 13.48958 . . . . . 19255 1 16 . 1 1 19 19 ASN N N 15 863.09315 7.99357 . . . . . 19255 1 17 . 1 1 20 20 VAL N N 15 791.77581 5.62222 . . . . . 19255 1 18 . 1 1 21 21 TYR N N 15 916.23584 11.17648 . . . . . 19255 1 19 . 1 1 22 22 VAL N N 15 783.68487 6.10545 . . . . . 19255 1 20 . 1 1 23 23 ASN N N 15 943.47214 9.37008 . . . . . 19255 1 21 . 1 1 24 24 LEU N N 15 876.75583 16.37324 . . . . . 19255 1 22 . 1 1 25 25 ALA N N 15 846.49087 3.83430 . . . . . 19255 1 23 . 1 1 27 27 VAL N N 15 799.46602 5.62318 . . . . . 19255 1 24 . 1 1 28 28 VAL N N 15 699.14346 15.61352 . . . . . 19255 1 25 . 1 1 29 29 ASN N N 15 869.99269 21.65652 . . . . . 19255 1 26 . 1 1 30 30 VAL N N 15 1007.93974 29.40591 . . . . . 19255 1 27 . 1 1 31 31 GLY N N 15 753.08857 10.34541 . . . . . 19255 1 28 . 1 1 32 32 GLN N N 15 813.10468 8.20741 . . . . . 19255 1 29 . 1 1 33 33 ASN N N 15 837.95958 8.50802 . . . . . 19255 1 30 . 1 1 34 34 LEU N N 15 774.36406 10.77194 . . . . . 19255 1 31 . 1 1 35 35 VAL N N 15 741.02515 39.08331 . . . . . 19255 1 32 . 1 1 36 36 VAL N N 15 782.18465 9.89021 . . . . . 19255 1 33 . 1 1 37 37 ASP N N 15 855.41909 9.58762 . . . . . 19255 1 34 . 1 1 39 39 SER N N 15 824.92544 10.04154 . . . . . 19255 1 35 . 1 1 40 40 THR N N 15 862.73445 7.50203 . . . . . 19255 1 36 . 1 1 42 42 ILE N N 15 824.57670 7.75511 . . . . . 19255 1 37 . 1 1 43 43 PHE N N 15 709.42883 14.03731 . . . . . 19255 1 38 . 1 1 44 44 CYS N N 15 786.23424 7.79649 . . . . . 19255 1 39 . 1 1 45 45 HIS N N 15 749.45754 9.07894 . . . . . 19255 1 40 . 1 1 47 47 ASP N N 15 754.21206 20.06037 . . . . . 19255 1 41 . 1 1 48 48 ALA N N 15 874.52529 9.46538 . . . . . 19255 1 42 . 1 1 50 50 GLU N N 15 764.18174 5.92524 . . . . . 19255 1 43 . 1 1 51 51 THR N N 15 818.45911 18.36295 . . . . . 19255 1 44 . 1 1 53 53 THR N N 15 818.46519 17.96544 . . . . . 19255 1 45 . 1 1 54 54 ASP N N 15 762.37913 7.09049 . . . . . 19255 1 46 . 1 1 56 56 VAL N N 15 773.15222 10.98530 . . . . . 19255 1 47 . 1 1 57 57 THR N N 15 754.11248 7.73300 . . . . . 19255 1 48 . 1 1 58 58 LEU N N 15 773.43019 12.37943 . . . . . 19255 1 49 . 1 1 59 59 GLN N N 15 735.17581 8.69036 . . . . . 19255 1 50 . 1 1 60 60 ARG N N 15 797.32055 10.59701 . . . . . 19255 1 51 . 1 1 61 61 GLY N N 15 775.02710 8.58570 . . . . . 19255 1 52 . 1 1 62 62 SER N N 15 793.23507 16.30351 . . . . . 19255 1 53 . 1 1 63 63 ALA N N 15 785.31361 8.42335 . . . . . 19255 1 54 . 1 1 64 64 TYR N N 15 732.71438 12.52381 . . . . . 19255 1 55 . 1 1 65 65 GLY N N 15 778.50718 13.54172 . . . . . 19255 1 56 . 1 1 66 66 GLY N N 15 746.83296 7.52173 . . . . . 19255 1 57 . 1 1 67 67 VAL N N 15 781.42734 5.74354 . . . . . 19255 1 58 . 1 1 68 68 LEU N N 15 775.30159 6.80690 . . . . . 19255 1 59 . 1 1 69 69 SER N N 15 769.58334 4.84396 . . . . . 19255 1 60 . 1 1 70 70 ASN N N 15 847.37301 7.05442 . . . . . 19255 1 61 . 1 1 71 71 PHE N N 15 780.00685 6.22754 . . . . . 19255 1 62 . 1 1 72 72 SER N N 15 809.03872 9.98493 . . . . . 19255 1 63 . 1 1 73 73 GLY N N 15 823.80520 5.36042 . . . . . 19255 1 64 . 1 1 74 74 THR N N 15 786.32421 3.52964 . . . . . 19255 1 65 . 1 1 75 75 VAL N N 15 721.79702 9.74243 . . . . . 19255 1 66 . 1 1 76 76 LYS N N 15 744.41600 6.13602 . . . . . 19255 1 67 . 1 1 77 77 TYR N N 15 781.41718 10.82552 . . . . . 19255 1 68 . 1 1 78 78 SER N N 15 746.40680 11.91913 . . . . . 19255 1 69 . 1 1 79 79 GLY N N 15 796.57659 26.86714 . . . . . 19255 1 70 . 1 1 80 80 SER N N 15 846.67068 5.61912 . . . . . 19255 1 71 . 1 1 81 81 SER N N 15 810.75239 17.19023 . . . . . 19255 1 72 . 1 1 82 82 TYR N N 15 762.30539 12.87285 . . . . . 19255 1 73 . 1 1 84 84 PHE N N 15 970.68976 10.25261 . . . . . 19255 1 74 . 1 1 86 86 THR N N 15 728.51034 9.47187 . . . . . 19255 1 75 . 1 1 87 87 THR N N 15 723.19793 13.60006 . . . . . 19255 1 76 . 1 1 88 88 SER N N 15 853.73165 6.65464 . . . . . 19255 1 77 . 1 1 89 89 GLU N N 15 835.56164 18.32998 . . . . . 19255 1 78 . 1 1 92 92 ARG N N 15 831.27252 5.82827 . . . . . 19255 1 79 . 1 1 93 93 VAL N N 15 764.42989 12.04426 . . . . . 19255 1 80 . 1 1 95 95 TYR N N 15 771.33578 11.21708 . . . . . 19255 1 81 . 1 1 97 97 SER N N 15 870.77160 18.60941 . . . . . 19255 1 82 . 1 1 99 99 THR N N 15 751.80402 15.14542 . . . . . 19255 1 83 . 1 1 100 100 ASP N N 15 807.63020 12.54120 . . . . . 19255 1 84 . 1 1 101 101 LYS N N 15 808.15950 11.06337 . . . . . 19255 1 85 . 1 1 103 103 TRP N N 15 761.17724 11.23503 . . . . . 19255 1 86 . 1 1 106 106 ALA N N 15 765.27211 12.24595 . . . . . 19255 1 87 . 1 1 107 107 LEU N N 15 773.53773 8.05240 . . . . . 19255 1 88 . 1 1 108 108 TYR N N 15 806.76540 10.70273 . . . . . 19255 1 89 . 1 1 110 110 THR N N 15 810.02273 7.59458 . . . . . 19255 1 90 . 1 1 112 112 VAL N N 15 758.30055 20.76332 . . . . . 19255 1 91 . 1 1 113 113 SER N N 15 800.64248 19.96852 . . . . . 19255 1 92 . 1 1 114 114 SER N N 15 800.55652 11.84369 . . . . . 19255 1 93 . 1 1 115 115 ALA N N 15 734.41551 7.95187 . . . . . 19255 1 94 . 1 1 116 116 GLY N N 15 771.35295 3.41964 . . . . . 19255 1 95 . 1 1 117 117 GLY N N 15 788.49571 5.09703 . . . . . 19255 1 96 . 1 1 118 118 VAL N N 15 910.16358 23.61994 . . . . . 19255 1 97 . 1 1 119 119 ALA N N 15 768.96214 9.87886 . . . . . 19255 1 98 . 1 1 120 120 ILE N N 15 841.58189 19.83275 . . . . . 19255 1 99 . 1 1 121 121 LYS N N 15 765.50617 9.42638 . . . . . 19255 1 100 . 1 1 122 122 ALA N N 15 942.49720 6.27617 . . . . . 19255 1 101 . 1 1 123 123 GLY N N 15 764.80143 5.42289 . . . . . 19255 1 102 . 1 1 124 124 SER N N 15 778.68326 9.15805 . . . . . 19255 1 103 . 1 1 125 125 LEU N N 15 778.72540 5.18783 . . . . . 19255 1 104 . 1 1 126 126 ILE N N 15 761.92599 21.77874 . . . . . 19255 1 105 . 1 1 127 127 ALA N N 15 707.49145 12.07699 . . . . . 19255 1 106 . 1 1 128 128 VAL N N 15 827.49375 21.44852 . . . . . 19255 1 107 . 1 1 129 129 LEU N N 15 754.35287 5.68191 . . . . . 19255 1 108 . 1 1 130 130 ILE N N 15 799.76331 16.18259 . . . . . 19255 1 109 . 1 1 131 131 LEU N N 15 727.64650 5.89576 . . . . . 19255 1 110 . 1 1 132 132 ARG N N 15 729.16820 16.18074 . . . . . 19255 1 111 . 1 1 133 133 GLN N N 15 715.03753 9.45280 . . . . . 19255 1 112 . 1 1 134 134 THR N N 15 759.95505 4.35532 . . . . . 19255 1 113 . 1 1 135 135 ASN N N 15 753.76269 10.62939 . . . . . 19255 1 114 . 1 1 137 137 TYR N N 15 957.32724 26.65364 . . . . . 19255 1 115 . 1 1 138 138 ASN N N 15 960.80088 18.91788 . . . . . 19255 1 116 . 1 1 139 139 SER N N 15 872.96899 11.30904 . . . . . 19255 1 117 . 1 1 140 140 ASP N N 15 867.22262 16.16978 . . . . . 19255 1 118 . 1 1 141 141 ASP N N 15 807.80754 10.46679 . . . . . 19255 1 119 . 1 1 142 142 PHE N N 15 765.52527 20.67057 . . . . . 19255 1 120 . 1 1 143 143 GLN N N 15 838.74801 6.40357 . . . . . 19255 1 121 . 1 1 144 144 PHE N N 15 778.09000 10.16613 . . . . . 19255 1 122 . 1 1 145 145 VAL N N 15 850.66806 24.21166 . . . . . 19255 1 123 . 1 1 146 146 TRP N N 15 729.56796 13.69572 . . . . . 19255 1 124 . 1 1 148 148 ILE N N 15 731.98555 13.64805 . . . . . 19255 1 125 . 1 1 149 149 TYR N N 15 855.20567 16.85845 . . . . . 19255 1 126 . 1 1 150 150 ALA N N 15 758.78591 17.32304 . . . . . 19255 1 127 . 1 1 151 151 ASN N N 15 757.13683 6.75619 . . . . . 19255 1 128 . 1 1 152 152 ASN N N 15 872.91754 5.84844 . . . . . 19255 1 129 . 1 1 153 153 ASP N N 15 809.43614 4.19022 . . . . . 19255 1 130 . 1 1 155 155 VAL N N 15 770.69916 4.74030 . . . . . 19255 1 131 . 1 1 156 156 VAL N N 15 759.78855 12.06276 . . . . . 19255 1 132 . 1 1 158 158 THR N N 15 922.11381 14.15347 . . . . . 19255 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 19255 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method no _Heteronucl_T2_list.Temp_control_method no _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 4 '2D 1H-15N HSQC (CPMG)' . . . 19255 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N N 15 65.61779 0.66943 . . . . . . . 19255 1 2 . 1 1 3 3 CYS N N 15 70.96433 5.50413 . . . . . . . 19255 1 3 . 1 1 4 4 LYS N N 15 70.82063 1.10425 . . . . . . . 19255 1 4 . 1 1 5 5 THR N N 15 70.37204 0.95625 . . . . . . . 19255 1 5 . 1 1 6 6 ALA N N 15 74.16030 0.58574 . . . . . . . 19255 1 6 . 1 1 7 7 ASN N N 15 81.96970 1.06776 . . . . . . . 19255 1 7 . 1 1 8 8 GLY N N 15 77.73367 0.52337 . . . . . . . 19255 1 8 . 1 1 10 10 ALA N N 15 85.83102 0.85499 . . . . . . . 19255 1 9 . 1 1 11 11 ILE N N 15 79.10703 0.86664 . . . . . . . 19255 1 10 . 1 1 13 13 ILE N N 15 73.04364 1.51022 . . . . . . . 19255 1 11 . 1 1 14 14 GLY N N 15 68.49703 0.53645 . . . . . . . 19255 1 12 . 1 1 15 15 GLY N N 15 58.70856 1.77521 . . . . . . . 19255 1 13 . 1 1 16 16 GLY N N 15 68.98725 1.63664 . . . . . . . 19255 1 14 . 1 1 18 18 ALA N N 15 68.23717 1.57819 . . . . . . . 19255 1 15 . 1 1 19 19 ASN N N 15 76.42155 1.77646 . . . . . . . 19255 1 16 . 1 1 20 20 VAL N N 15 76.97894 0.95651 . . . . . . . 19255 1 17 . 1 1 21 21 TYR N N 15 72.57123 0.63501 . . . . . . . 19255 1 18 . 1 1 22 22 VAL N N 15 75.20024 0.73900 . . . . . . . 19255 1 19 . 1 1 23 23 ASN N N 15 67.17733 1.06617 . . . . . . . 19255 1 20 . 1 1 24 24 LEU N N 15 73.14376 1.32270 . . . . . . . 19255 1 21 . 1 1 25 25 ALA N N 15 69.75028 0.61021 . . . . . . . 19255 1 22 . 1 1 27 27 VAL N N 15 63.68683 1.00800 . . . . . . . 19255 1 23 . 1 1 28 28 VAL N N 15 65.93625 0.86709 . . . . . . . 19255 1 24 . 1 1 29 29 ASN N N 15 77.36516 1.68873 . . . . . . . 19255 1 25 . 1 1 30 30 VAL N N 15 66.29530 0.81679 . . . . . . . 19255 1 26 . 1 1 31 31 GLY N N 15 76.88677 0.96401 . . . . . . . 19255 1 27 . 1 1 32 32 GLN N N 15 67.35975 1.14682 . . . . . . . 19255 1 28 . 1 1 33 33 ASN N N 15 82.00660 0.67580 . . . . . . . 19255 1 29 . 1 1 34 34 LEU N N 15 78.48859 1.68053 . . . . . . . 19255 1 30 . 1 1 35 35 VAL N N 15 68.27026 1.17133 . . . . . . . 19255 1 31 . 1 1 36 36 VAL N N 15 74.56157 0.38757 . . . . . . . 19255 1 32 . 1 1 37 37 ASP N N 15 70.40052 1.28837 . . . . . . . 19255 1 33 . 1 1 39 39 SER N N 15 57.68139 0.90210 . . . . . . . 19255 1 34 . 1 1 40 40 THR N N 15 60.72035 1.21434 . . . . . . . 19255 1 35 . 1 1 42 42 ILE N N 15 72.99623 0.58718 . . . . . . . 19255 1 36 . 1 1 43 43 PHE N N 15 69.07993 1.35372 . . . . . . . 19255 1 37 . 1 1 44 44 CYS N N 15 68.20239 1.23262 . . . . . . . 19255 1 38 . 1 1 45 45 HIS N N 15 67.77621 4.23570 . . . . . . . 19255 1 39 . 1 1 47 47 ASP N N 15 66.19569 1.64713 . . . . . . . 19255 1 40 . 1 1 48 48 ALA N N 15 62.76033 1.28523 . . . . . . . 19255 1 41 . 1 1 50 50 GLU N N 15 67.43638 0.76909 . . . . . . . 19255 1 42 . 1 1 51 51 THR N N 15 66.69597 1.62380 . . . . . . . 19255 1 43 . 1 1 53 53 THR N N 15 68.30715 2.28755 . . . . . . . 19255 1 44 . 1 1 54 54 ASP N N 15 63.42229 0.91577 . . . . . . . 19255 1 45 . 1 1 56 56 VAL N N 15 72.80606 0.48606 . . . . . . . 19255 1 46 . 1 1 57 57 THR N N 15 64.51169 1.20701 . . . . . . . 19255 1 47 . 1 1 58 58 LEU N N 15 70.84871 1.49833 . . . . . . . 19255 1 48 . 1 1 59 59 GLN N N 15 70.70323 0.80091 . . . . . . . 19255 1 49 . 1 1 60 60 ARG N N 15 48.18515 3.35496 . . . . . . . 19255 1 50 . 1 1 61 61 GLY N N 15 68.49138 0.99533 . . . . . . . 19255 1 51 . 1 1 62 62 SER N N 15 63.14512 1.64290 . . . . . . . 19255 1 52 . 1 1 63 63 ALA N N 15 71.17334 1.37971 . . . . . . . 19255 1 53 . 1 1 64 64 TYR N N 15 77.70968 1.14145 . . . . . . . 19255 1 54 . 1 1 65 65 GLY N N 15 69.98259 1.50238 . . . . . . . 19255 1 55 . 1 1 66 66 GLY N N 15 63.27845 1.08561 . . . . . . . 19255 1 56 . 1 1 67 67 VAL N N 15 66.76324 0.82200 . . . . . . . 19255 1 57 . 1 1 68 68 LEU N N 15 67.18546 0.96294 . . . . . . . 19255 1 58 . 1 1 69 69 SER N N 15 58.10051 0.88385 . . . . . . . 19255 1 59 . 1 1 70 70 ASN N N 15 71.72431 0.42958 . . . . . . . 19255 1 60 . 1 1 71 71 PHE N N 15 66.82908 1.54570 . . . . . . . 19255 1 61 . 1 1 72 72 SER N N 15 73.66500 1.07590 . . . . . . . 19255 1 62 . 1 1 73 73 GLY N N 15 80.12370 1.12374 . . . . . . . 19255 1 63 . 1 1 74 74 THR N N 15 72.34232 1.11001 . . . . . . . 19255 1 64 . 1 1 75 75 VAL N N 15 68.02885 1.09996 . . . . . . . 19255 1 65 . 1 1 76 76 LYS N N 15 72.00525 0.97762 . . . . . . . 19255 1 66 . 1 1 77 77 TYR N N 15 72.20309 1.35052 . . . . . . . 19255 1 67 . 1 1 78 78 SER N N 15 68.86761 1.52707 . . . . . . . 19255 1 68 . 1 1 79 79 GLY N N 15 69.50745 0.83626 . . . . . . . 19255 1 69 . 1 1 80 80 SER N N 15 71.49228 0.59999 . . . . . . . 19255 1 70 . 1 1 81 81 SER N N 15 73.22742 1.20393 . . . . . . . 19255 1 71 . 1 1 82 82 TYR N N 15 75.19782 1.20310 . . . . . . . 19255 1 72 . 1 1 84 84 PHE N N 15 63.63862 0.35999 . . . . . . . 19255 1 73 . 1 1 86 86 THR N N 15 70.34242 1.30871 . . . . . . . 19255 1 74 . 1 1 87 87 THR N N 15 68.06015 2.04329 . . . . . . . 19255 1 75 . 1 1 88 88 SER N N 15 78.40702 0.60107 . . . . . . . 19255 1 76 . 1 1 89 89 GLU N N 15 68.53004 1.31948 . . . . . . . 19255 1 77 . 1 1 92 92 ARG N N 15 71.60476 0.65369 . . . . . . . 19255 1 78 . 1 1 93 93 VAL N N 15 74.04547 2.26953 . . . . . . . 19255 1 79 . 1 1 95 95 TYR N N 15 66.74545 2.48351 . . . . . . . 19255 1 80 . 1 1 97 97 SER N N 15 50.03823 3.46065 . . . . . . . 19255 1 81 . 1 1 99 99 THR N N 15 65.32221 1.07742 . . . . . . . 19255 1 82 . 1 1 100 100 ASP N N 15 76.71540 1.63030 . . . . . . . 19255 1 83 . 1 1 101 101 LYS N N 15 71.88970 1.70823 . . . . . . . 19255 1 84 . 1 1 103 103 TRP N N 15 71.29226 1.70949 . . . . . . . 19255 1 85 . 1 1 105 105 VAL N N 15 75.46561 0.94601 . . . . . . . 19255 1 86 . 1 1 106 106 ALA N N 15 68.90957 0.77032 . . . . . . . 19255 1 87 . 1 1 107 107 LEU N N 15 73.32568 1.12449 . . . . . . . 19255 1 88 . 1 1 108 108 TYR N N 15 72.37653 0.93115 . . . . . . . 19255 1 89 . 1 1 110 110 THR N N 15 69.78043 1.51580 . . . . . . . 19255 1 90 . 1 1 112 112 VAL N N 15 69.39559 1.47461 . . . . . . . 19255 1 91 . 1 1 113 113 SER N N 15 70.88115 1.14867 . . . . . . . 19255 1 92 . 1 1 114 114 SER N N 15 70.57095 0.79492 . . . . . . . 19255 1 93 . 1 1 115 115 ALA N N 15 80.78325 1.25036 . . . . . . . 19255 1 94 . 1 1 116 116 GLY N N 15 91.61989 1.48868 . . . . . . . 19255 1 95 . 1 1 117 117 GLY N N 15 87.57950 1.11028 . . . . . . . 19255 1 96 . 1 1 118 118 VAL N N 15 76.68988 1.13980 . . . . . . . 19255 1 97 . 1 1 119 119 ALA N N 15 73.99847 1.49757 . . . . . . . 19255 1 98 . 1 1 120 120 ILE N N 15 73.69895 1.78298 . . . . . . . 19255 1 99 . 1 1 121 121 LYS N N 15 72.49729 0.79799 . . . . . . . 19255 1 100 . 1 1 122 122 ALA N N 15 60.98082 0.77314 . . . . . . . 19255 1 101 . 1 1 123 123 GLY N N 15 69.98813 0.92765 . . . . . . . 19255 1 102 . 1 1 124 124 SER N N 15 63.14909 1.26480 . . . . . . . 19255 1 103 . 1 1 125 125 LEU N N 15 72.31391 0.51844 . . . . . . . 19255 1 104 . 1 1 126 126 ILE N N 15 52.77155 1.86113 . . . . . . . 19255 1 105 . 1 1 127 127 ALA N N 15 64.38195 1.56374 . . . . . . . 19255 1 106 . 1 1 128 128 VAL N N 15 68.81992 1.53966 . . . . . . . 19255 1 107 . 1 1 129 129 LEU N N 15 71.16257 1.22724 . . . . . . . 19255 1 108 . 1 1 130 130 ILE N N 15 73.34969 2.12113 . . . . . . . 19255 1 109 . 1 1 131 131 LEU N N 15 67.69169 0.64169 . . . . . . . 19255 1 110 . 1 1 132 132 ARG N N 15 63.90080 0.83678 . . . . . . . 19255 1 111 . 1 1 133 133 GLN N N 15 65.97492 1.43833 . . . . . . . 19255 1 112 . 1 1 134 134 THR N N 15 63.73313 1.77640 . . . . . . . 19255 1 113 . 1 1 135 135 ASN N N 15 62.63752 0.85904 . . . . . . . 19255 1 114 . 1 1 137 137 TYR N N 15 54.21602 1.84147 . . . . . . . 19255 1 115 . 1 1 138 138 ASN N N 15 51.98437 1.12246 . . . . . . . 19255 1 116 . 1 1 139 139 SER N N 15 68.42891 1.24761 . . . . . . . 19255 1 117 . 1 1 140 140 ASP N N 15 55.08798 1.00005 . . . . . . . 19255 1 118 . 1 1 141 141 ASP N N 15 73.74020 0.97924 . . . . . . . 19255 1 119 . 1 1 142 142 PHE N N 15 71.94048 1.13947 . . . . . . . 19255 1 120 . 1 1 143 143 GLN N N 15 73.42036 0.97783 . . . . . . . 19255 1 121 . 1 1 144 144 PHE N N 15 77.06096 1.40450 . . . . . . . 19255 1 122 . 1 1 145 145 VAL N N 15 66.64190 1.54084 . . . . . . . 19255 1 123 . 1 1 146 146 TRP N N 15 77.68556 1.45773 . . . . . . . 19255 1 124 . 1 1 148 148 ILE N N 15 72.92144 1.54825 . . . . . . . 19255 1 125 . 1 1 149 149 TYR N N 15 65.76285 1.16774 . . . . . . . 19255 1 126 . 1 1 150 150 ALA N N 15 67.63017 1.51721 . . . . . . . 19255 1 127 . 1 1 151 151 ASN N N 15 71.06664 0.62587 . . . . . . . 19255 1 128 . 1 1 152 152 ASN N N 15 76.23918 2.15465 . . . . . . . 19255 1 129 . 1 1 153 153 ASP N N 15 73.79541 0.52407 . . . . . . . 19255 1 130 . 1 1 155 155 VAL N N 15 76.07031 1.18962 . . . . . . . 19255 1 131 . 1 1 156 156 VAL N N 15 72.29903 2.01426 . . . . . . . 19255 1 132 . 1 1 158 158 THR N N 15 100.43457 1.87522 . . . . . . . 19255 1 stop_ save_