data_27548 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27548 _Entry.Title ; Ressonance assignments for the human Smad5 MH1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-17 _Entry.Accession_date 2018-07-17 _Entry.Last_release_date 2018-07-17 _Entry.Original_release_date 2018-07-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 'Ressonance assignments for the human Smad5 MH1 domain' _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 Maria Macias . J. . . 27548 2 Pau Martin-Malpartida . . . . 27548 3 Lidia Ruiz . . . . 27548 4 Eric Aragon . . . . 27548 5 Tiago Gomes . . . . 27548 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute for Research in Biomedicine' . 27548 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27548 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 196 27548 '15N chemical shifts' 84 27548 '1H chemical shifts' 84 27548 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-11-15 . original BMRB . 27548 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27548 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30060237 _Citation.Full_citation . _Citation.Title ; TGIF1 homeodomain interacts with Smad MH1 domain and represses TGF-beta signaling. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 46 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 9220 _Citation.Page_last 9235 _Citation.Year 2018 _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 Ewelina Guca E. . . . 27548 1 2 David Sunol D. . . . 27548 1 3 Lidia Ruiz L. . . . 27548 1 4 Agnieszka Konkol A. . . . 27548 1 5 Jorge Cordero J. . . . 27548 1 6 Carles Torner C. . . . 27548 1 7 Eric Aragon E. . . . 27548 1 8 Pau Martin-Malpartida P. . . . 27548 1 9 Antoni Riera A. . . . 27548 1 10 Maria Macias M. J. . . 27548 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SMAD 27548 1 Smad5 27548 1 TGF-beta 27548 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27548 _Assembly.ID 1 _Assembly.Name SMAD5-MH1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SMAD5-MH1 1 $SMAD5-MH1 A . yes native no no . . . 27548 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SMAD5-MH1 _Entity.Sf_category entity _Entity.Sf_framecode SMAD5-MH1 _Entity.Entry_ID 27548 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SMAD5-MH1 _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 ; GPSFTSPAVKRLLGWKQGDE EEKWAEKAVDALVKKLKKKK GAMEELEKALSSPGQPSKCV TIPRSLDGRLQVSHRKGLPH VIYCRVWRWPDLQSHHELKP LDICEFPFGSKQKEVCINPY HYKRVESPVLPPVLVPR ; _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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_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 . yes UNP Q99717 . SMAD5_HUMAN . . . . . . . . . . . . . . 27548 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 7 GLY . 27548 1 2 8 PRO . 27548 1 3 9 SER . 27548 1 4 10 PHE . 27548 1 5 11 THR . 27548 1 6 12 SER . 27548 1 7 13 PRO . 27548 1 8 14 ALA . 27548 1 9 15 VAL . 27548 1 10 16 LYS . 27548 1 11 17 ARG . 27548 1 12 18 LEU . 27548 1 13 19 LEU . 27548 1 14 20 GLY . 27548 1 15 21 TRP . 27548 1 16 22 LYS . 27548 1 17 23 GLN . 27548 1 18 24 GLY . 27548 1 19 25 ASP . 27548 1 20 26 GLU . 27548 1 21 27 GLU . 27548 1 22 28 GLU . 27548 1 23 29 LYS . 27548 1 24 30 TRP . 27548 1 25 31 ALA . 27548 1 26 32 GLU . 27548 1 27 33 LYS . 27548 1 28 34 ALA . 27548 1 29 35 VAL . 27548 1 30 36 ASP . 27548 1 31 37 ALA . 27548 1 32 38 LEU . 27548 1 33 39 VAL . 27548 1 34 40 LYS . 27548 1 35 41 LYS . 27548 1 36 42 LEU . 27548 1 37 43 LYS . 27548 1 38 44 LYS . 27548 1 39 45 LYS . 27548 1 40 46 LYS . 27548 1 41 47 GLY . 27548 1 42 48 ALA . 27548 1 43 49 MET . 27548 1 44 50 GLU . 27548 1 45 51 GLU . 27548 1 46 52 LEU . 27548 1 47 53 GLU . 27548 1 48 54 LYS . 27548 1 49 55 ALA . 27548 1 50 56 LEU . 27548 1 51 57 SER . 27548 1 52 58 SER . 27548 1 53 59 PRO . 27548 1 54 60 GLY . 27548 1 55 61 GLN . 27548 1 56 62 PRO . 27548 1 57 63 SER . 27548 1 58 64 LYS . 27548 1 59 65 CYS . 27548 1 60 66 VAL . 27548 1 61 67 THR . 27548 1 62 68 ILE . 27548 1 63 69 PRO . 27548 1 64 70 ARG . 27548 1 65 71 SER . 27548 1 66 72 LEU . 27548 1 67 73 ASP . 27548 1 68 74 GLY . 27548 1 69 75 ARG . 27548 1 70 76 LEU . 27548 1 71 77 GLN . 27548 1 72 78 VAL . 27548 1 73 79 SER . 27548 1 74 80 HIS . 27548 1 75 81 ARG . 27548 1 76 82 LYS . 27548 1 77 83 GLY . 27548 1 78 84 LEU . 27548 1 79 85 PRO . 27548 1 80 86 HIS . 27548 1 81 87 VAL . 27548 1 82 88 ILE . 27548 1 83 89 TYR . 27548 1 84 90 CYS . 27548 1 85 91 ARG . 27548 1 86 92 VAL . 27548 1 87 93 TRP . 27548 1 88 94 ARG . 27548 1 89 95 TRP . 27548 1 90 96 PRO . 27548 1 91 97 ASP . 27548 1 92 98 LEU . 27548 1 93 99 GLN . 27548 1 94 100 SER . 27548 1 95 101 HIS . 27548 1 96 102 HIS . 27548 1 97 103 GLU . 27548 1 98 104 LEU . 27548 1 99 105 LYS . 27548 1 100 106 PRO . 27548 1 101 107 LEU . 27548 1 102 108 ASP . 27548 1 103 109 ILE . 27548 1 104 110 CYS . 27548 1 105 111 GLU . 27548 1 106 112 PHE . 27548 1 107 113 PRO . 27548 1 108 114 PHE . 27548 1 109 115 GLY . 27548 1 110 116 SER . 27548 1 111 117 LYS . 27548 1 112 118 GLN . 27548 1 113 119 LYS . 27548 1 114 120 GLU . 27548 1 115 121 VAL . 27548 1 116 122 CYS . 27548 1 117 123 ILE . 27548 1 118 124 ASN . 27548 1 119 125 PRO . 27548 1 120 126 TYR . 27548 1 121 127 HIS . 27548 1 122 128 TYR . 27548 1 123 129 LYS . 27548 1 124 130 ARG . 27548 1 125 131 VAL . 27548 1 126 132 GLU . 27548 1 127 133 SER . 27548 1 128 134 PRO . 27548 1 129 135 VAL . 27548 1 130 136 LEU . 27548 1 131 137 PRO . 27548 1 132 138 PRO . 27548 1 133 139 VAL . 27548 1 134 140 LEU . 27548 1 135 141 VAL . 27548 1 136 142 PRO . 27548 1 137 143 ARG . 27548 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 . GLY 1 1 27548 1 . PRO 2 2 27548 1 . SER 3 3 27548 1 . PHE 4 4 27548 1 . THR 5 5 27548 1 . SER 6 6 27548 1 . PRO 7 7 27548 1 . ALA 8 8 27548 1 . VAL 9 9 27548 1 . LYS 10 10 27548 1 . ARG 11 11 27548 1 . LEU 12 12 27548 1 . LEU 13 13 27548 1 . GLY 14 14 27548 1 . TRP 15 15 27548 1 . LYS 16 16 27548 1 . GLN 17 17 27548 1 . GLY 18 18 27548 1 . ASP 19 19 27548 1 . GLU 20 20 27548 1 . GLU 21 21 27548 1 . GLU 22 22 27548 1 . LYS 23 23 27548 1 . TRP 24 24 27548 1 . ALA 25 25 27548 1 . GLU 26 26 27548 1 . LYS 27 27 27548 1 . ALA 28 28 27548 1 . VAL 29 29 27548 1 . ASP 30 30 27548 1 . ALA 31 31 27548 1 . LEU 32 32 27548 1 . VAL 33 33 27548 1 . LYS 34 34 27548 1 . LYS 35 35 27548 1 . LEU 36 36 27548 1 . LYS 37 37 27548 1 . LYS 38 38 27548 1 . LYS 39 39 27548 1 . LYS 40 40 27548 1 . GLY 41 41 27548 1 . ALA 42 42 27548 1 . MET 43 43 27548 1 . GLU 44 44 27548 1 . GLU 45 45 27548 1 . LEU 46 46 27548 1 . GLU 47 47 27548 1 . LYS 48 48 27548 1 . ALA 49 49 27548 1 . LEU 50 50 27548 1 . SER 51 51 27548 1 . SER 52 52 27548 1 . PRO 53 53 27548 1 . GLY 54 54 27548 1 . GLN 55 55 27548 1 . PRO 56 56 27548 1 . SER 57 57 27548 1 . LYS 58 58 27548 1 . CYS 59 59 27548 1 . VAL 60 60 27548 1 . THR 61 61 27548 1 . ILE 62 62 27548 1 . PRO 63 63 27548 1 . ARG 64 64 27548 1 . SER 65 65 27548 1 . LEU 66 66 27548 1 . ASP 67 67 27548 1 . GLY 68 68 27548 1 . ARG 69 69 27548 1 . LEU 70 70 27548 1 . GLN 71 71 27548 1 . VAL 72 72 27548 1 . SER 73 73 27548 1 . HIS 74 74 27548 1 . ARG 75 75 27548 1 . LYS 76 76 27548 1 . GLY 77 77 27548 1 . LEU 78 78 27548 1 . PRO 79 79 27548 1 . HIS 80 80 27548 1 . VAL 81 81 27548 1 . ILE 82 82 27548 1 . TYR 83 83 27548 1 . CYS 84 84 27548 1 . ARG 85 85 27548 1 . VAL 86 86 27548 1 . TRP 87 87 27548 1 . ARG 88 88 27548 1 . TRP 89 89 27548 1 . PRO 90 90 27548 1 . ASP 91 91 27548 1 . LEU 92 92 27548 1 . GLN 93 93 27548 1 . SER 94 94 27548 1 . HIS 95 95 27548 1 . HIS 96 96 27548 1 . GLU 97 97 27548 1 . LEU 98 98 27548 1 . LYS 99 99 27548 1 . PRO 100 100 27548 1 . LEU 101 101 27548 1 . ASP 102 102 27548 1 . ILE 103 103 27548 1 . CYS 104 104 27548 1 . GLU 105 105 27548 1 . PHE 106 106 27548 1 . PRO 107 107 27548 1 . PHE 108 108 27548 1 . GLY 109 109 27548 1 . SER 110 110 27548 1 . LYS 111 111 27548 1 . GLN 112 112 27548 1 . LYS 113 113 27548 1 . GLU 114 114 27548 1 . VAL 115 115 27548 1 . CYS 116 116 27548 1 . ILE 117 117 27548 1 . ASN 118 118 27548 1 . PRO 119 119 27548 1 . TYR 120 120 27548 1 . HIS 121 121 27548 1 . TYR 122 122 27548 1 . LYS 123 123 27548 1 . ARG 124 124 27548 1 . VAL 125 125 27548 1 . GLU 126 126 27548 1 . SER 127 127 27548 1 . PRO 128 128 27548 1 . VAL 129 129 27548 1 . LEU 130 130 27548 1 . PRO 131 131 27548 1 . PRO 132 132 27548 1 . VAL 133 133 27548 1 . LEU 134 134 27548 1 . VAL 135 135 27548 1 . PRO 136 136 27548 1 . ARG 137 137 27548 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 27548 _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 $SMAD5-MH1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27548 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 27548 _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 $SMAD5-MH1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM11 . . . 27548 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27548 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SMAD5-MH1 '[U-100% 13C; U-100% 15N]' . . 1 $SMAD5-MH1 . . 0.4 . . mM . . . . 27548 1 2 TRIS [U-2H] . . . . . . 20 . . mM . . . . 27548 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27548 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 27548 _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 pH 7.2 . pH 27548 1 pressure 1 . atm 27548 1 temperature 298 . K 27548 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27548 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27548 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27548 1 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 27548 _Software.ID 2 _Software.Type . _Software.Name MDDNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Orekhov, V.' . . 27548 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27548 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27548 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27548 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27548 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 27548 _Software.ID 4 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 27548 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27548 4 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 27548 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _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 27548 _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 III' . 600 . . . 27548 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 27548 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27548 1 2 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27548 1 3 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27548 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 27548 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27548 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27548 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27548 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 27548 _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 '3D HNCACB' . . . 27548 1 2 '3D HN(CO)CACB' . . . 27548 1 3 '2D 1H-15N TROSY' . . . 27548 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 1 1 GLY H H 1 7.920 0.000 . 1 . . . . . 7 GLY HN . 27548 1 2 . 1 1 1 1 GLY CA C 13 41.687 0.000 . 1 . . . . . 7 GLY CA . 27548 1 3 . 1 1 1 1 GLY N N 15 108.965 0.000 . 1 . . . . . 7 GLY N . 27548 1 4 . 1 1 2 2 PRO CA C 13 60.030 0.000 . 1 . . . . . 8 PRO CA . 27548 1 5 . 1 1 2 2 PRO CB C 13 28.691 0.000 . 1 . . . . . 8 PRO CB . 27548 1 6 . 1 1 3 3 SER H H 1 8.279 0.000 . 1 . . . . . 9 SER HN . 27548 1 7 . 1 1 3 3 SER CA C 13 55.166 0.037 . 1 . . . . . 9 SER CA . 27548 1 8 . 1 1 3 3 SER CB C 13 60.699 0.149 . 1 . . . . . 9 SER CB . 27548 1 9 . 1 1 3 3 SER N N 15 116.720 0.000 . 1 . . . . . 9 SER N . 27548 1 10 . 1 1 4 4 PHE H H 1 8.133 0.000 . 1 . . . . . 10 PHE HN . 27548 1 11 . 1 1 4 4 PHE CA C 13 54.497 0.185 . 1 . . . . . 10 PHE CA . 27548 1 12 . 1 1 4 4 PHE CB C 13 36.637 0.000 . 1 . . . . . 10 PHE CB . 27548 1 13 . 1 1 4 4 PHE N N 15 122.636 0.000 . 1 . . . . . 10 PHE N . 27548 1 14 . 1 1 5 5 THR H H 1 7.940 0.000 . 1 . . . . . 11 THR HN . 27548 1 15 . 1 1 5 5 THR CA C 13 58.730 0.111 . 1 . . . . . 11 THR CA . 27548 1 16 . 1 1 5 5 THR CB C 13 66.602 0.111 . 1 . . . . . 11 THR CB . 27548 1 17 . 1 1 5 5 THR N N 15 117.364 0.000 . 1 . . . . . 11 THR N . 27548 1 18 . 1 1 6 6 SER H H 1 8.335 0.000 . 1 . . . . . 12 SER HN . 27548 1 19 . 1 1 6 6 SER CA C 13 53.866 0.000 . 1 . . . . . 12 SER CA . 27548 1 20 . 1 1 6 6 SER CB C 13 60.179 0.000 . 1 . . . . . 12 SER CB . 27548 1 21 . 1 1 6 6 SER N N 15 120.950 0.000 . 1 . . . . . 12 SER N . 27548 1 22 . 1 1 7 7 PRO CA C 13 60.104 0.000 . 1 . . . . . 13 PRO CA . 27548 1 23 . 1 1 7 7 PRO CB C 13 28.691 0.000 . 1 . . . . . 13 PRO CB . 27548 1 24 . 1 1 8 8 ALA H H 1 8.128 0.000 . 1 . . . . . 14 ALA HN . 27548 1 25 . 1 1 8 8 ALA CA C 13 49.262 0.000 . 1 . . . . . 14 ALA CA . 27548 1 26 . 1 1 8 8 ALA CB C 13 15.769 0.074 . 1 . . . . . 14 ALA CB . 27548 1 27 . 1 1 8 8 ALA N N 15 124.646 0.000 . 1 . . . . . 14 ALA N . 27548 1 28 . 1 1 9 9 VAL H H 1 7.885 0.000 . 1 . . . . . 15 VAL HN . 27548 1 29 . 1 1 9 9 VAL CA C 13 58.991 0.074 . 1 . . . . . 15 VAL CA . 27548 1 30 . 1 1 9 9 VAL CB C 13 29.471 0.037 . 1 . . . . . 15 VAL CB . 27548 1 31 . 1 1 9 9 VAL N N 15 120.527 0.000 . 1 . . . . . 15 VAL N . 27548 1 32 . 1 1 10 10 LYS H H 1 8.202 0.000 . 1 . . . . . 16 LYS HN . 27548 1 33 . 1 1 10 10 LYS CA C 13 53.049 0.000 . 1 . . . . . 16 LYS CA . 27548 1 34 . 1 1 10 10 LYS CB C 13 29.285 0.000 . 1 . . . . . 16 LYS CB . 27548 1 35 . 1 1 10 10 LYS N N 15 126.966 0.000 . 1 . . . . . 16 LYS N . 27548 1 36 . 1 1 14 14 GLY CA C 13 42.727 0.000 . 1 . . . . . 20 GLY CA . 27548 1 37 . 1 1 15 15 TRP H H 1 7.990 0.000 . 1 . . . . . 21 TRP HN . 27548 1 38 . 1 1 15 15 TRP CA C 13 53.495 0.000 . 1 . . . . . 21 TRP CA . 27548 1 39 . 1 1 15 15 TRP CB C 13 27.132 0.075 . 1 . . . . . 21 TRP CB . 27548 1 40 . 1 1 15 15 TRP N N 15 119.824 0.000 . 1 . . . . . 21 TRP N . 27548 1 41 . 1 1 16 16 LYS H H 1 7.804 0.000 . 1 . . . . . 22 LYS HN . 27548 1 42 . 1 1 16 16 LYS CA C 13 54.126 0.037 . 1 . . . . . 22 LYS CA . 27548 1 43 . 1 1 16 16 LYS CB C 13 29.434 0.000 . 1 . . . . . 22 LYS CB . 27548 1 44 . 1 1 16 16 LYS N N 15 123.339 0.000 . 1 . . . . . 22 LYS N . 27548 1 45 . 1 1 17 17 GLN H H 1 8.374 0.000 . 1 . . . . . 23 GLN HN . 27548 1 46 . 1 1 17 17 GLN CA C 13 51.527 0.111 . 1 . . . . . 23 GLN CA . 27548 1 47 . 1 1 17 17 GLN CB C 13 26.203 0.112 . 1 . . . . . 23 GLN CB . 27548 1 48 . 1 1 17 17 GLN N N 15 123.574 0.000 . 1 . . . . . 23 GLN N . 27548 1 49 . 1 1 18 18 GLY H H 1 8.527 0.000 . 1 . . . . . 24 GLY HN . 27548 1 50 . 1 1 18 18 GLY CA C 13 41.761 0.000 . 1 . . . . . 24 GLY CA . 27548 1 51 . 1 1 18 18 GLY N N 15 112.654 0.000 . 1 . . . . . 24 GLY N . 27548 1 52 . 1 1 19 19 ASP H H 1 8.265 0.000 . 1 . . . . . 25 ASP HN . 27548 1 53 . 1 1 19 19 ASP CA C 13 51.305 0.111 . 1 . . . . . 25 ASP CA . 27548 1 54 . 1 1 19 19 ASP CB C 13 38.420 0.074 . 1 . . . . . 25 ASP CB . 27548 1 55 . 1 1 19 19 ASP N N 15 120.059 0.000 . 1 . . . . . 25 ASP N . 27548 1 56 . 1 1 20 20 GLU H H 1 8.363 0.000 . 1 . . . . . 26 GLU HN . 27548 1 57 . 1 1 20 20 GLU CA C 13 53.829 0.037 . 1 . . . . . 26 GLU CA . 27548 1 58 . 1 1 20 20 GLU CB C 13 27.317 0.037 . 1 . . . . . 26 GLU CB . 27548 1 59 . 1 1 20 20 GLU N N 15 120.982 0.000 . 1 . . . . . 26 GLU N . 27548 1 60 . 1 1 21 21 GLU H H 1 7.655 0.000 . 1 . . . . . 27 GLU HN . 27548 1 61 . 1 1 21 21 GLU CA C 13 52.493 0.037 . 1 . . . . . 27 GLU CA . 27548 1 62 . 1 1 21 21 GLU CB C 13 26.537 0.000 . 1 . . . . . 27 GLU CB . 27548 1 63 . 1 1 21 21 GLU N N 15 118.277 0.000 . 1 . . . . . 27 GLU N . 27548 1 64 . 1 1 22 22 GLU H H 1 8.153 0.000 . 1 . . . . . 28 GLU HN . 27548 1 65 . 1 1 22 22 GLU CA C 13 54.015 0.000 . 1 . . . . . 28 GLU CA . 27548 1 66 . 1 1 22 22 GLU N N 15 121.348 0.000 . 1 . . . . . 28 GLU N . 27548 1 67 . 1 1 25 25 ALA CA C 13 52.975 0.000 . 1 . . . . . 31 ALA CA . 27548 1 68 . 1 1 25 25 ALA CB C 13 15.769 0.000 . 1 . . . . . 31 ALA CB . 27548 1 69 . 1 1 26 26 GLU H H 1 8.213 0.000 . 1 . . . . . 32 GLU HN . 27548 1 70 . 1 1 26 26 GLU CA C 13 52.381 0.000 . 1 . . . . . 32 GLU CA . 27548 1 71 . 1 1 26 26 GLU CB C 13 27.206 0.297 . 1 . . . . . 32 GLU CB . 27548 1 72 . 1 1 26 26 GLU N N 15 119.004 0.000 . 1 . . . . . 32 GLU N . 27548 1 73 . 1 1 27 27 LYS H H 1 8.607 0.000 . 1 . . . . . 33 LYS HN . 27548 1 74 . 1 1 27 27 LYS CA C 13 55.500 0.297 . 1 . . . . . 33 LYS CA . 27548 1 75 . 1 1 27 27 LYS CB C 13 28.691 0.297 . 1 . . . . . 33 LYS CB . 27548 1 76 . 1 1 27 27 LYS N N 15 119.004 0.000 . 1 . . . . . 33 LYS N . 27548 1 77 . 1 1 28 28 ALA H H 1 7.819 0.000 . 1 . . . . . 34 ALA HN . 27548 1 78 . 1 1 28 28 ALA CA C 13 51.713 0.000 . 1 . . . . . 34 ALA CA . 27548 1 79 . 1 1 28 28 ALA CB C 13 13.541 0.000 . 1 . . . . . 34 ALA CB . 27548 1 80 . 1 1 28 28 ALA N N 15 122.055 0.000 . 1 . . . . . 34 ALA N . 27548 1 81 . 1 1 29 29 VAL H H 1 8.734 0.000 . 1 . . . . . 35 VAL HN . 27548 1 82 . 1 1 29 29 VAL CA C 13 64.374 0.111 . 1 . . . . . 35 VAL CA . 27548 1 83 . 1 1 29 29 VAL CB C 13 27.837 0.037 . 1 . . . . . 35 VAL CB . 27548 1 84 . 1 1 29 29 VAL N N 15 124.732 0.000 . 1 . . . . . 35 VAL N . 27548 1 85 . 1 1 30 30 ASP H H 1 8.493 0.000 . 1 . . . . . 36 ASP HN . 27548 1 86 . 1 1 30 30 ASP CA C 13 55.278 0.075 . 1 . . . . . 36 ASP CA . 27548 1 87 . 1 1 30 30 ASP CB C 13 39.311 0.000 . 1 . . . . . 36 ASP CB . 27548 1 88 . 1 1 30 30 ASP N N 15 122.402 0.000 . 1 . . . . . 36 ASP N . 27548 1 89 . 1 1 31 31 ALA H H 1 7.649 0.000 . 1 . . . . . 37 ALA HN . 27548 1 90 . 1 1 31 31 ALA CA C 13 51.898 0.111 . 1 . . . . . 37 ALA CA . 27548 1 91 . 1 1 31 31 ALA CB C 13 14.915 0.037 . 1 . . . . . 37 ALA CB . 27548 1 92 . 1 1 31 31 ALA N N 15 118.672 0.000 . 1 . . . . . 37 ALA N . 27548 1 93 . 1 1 32 32 LEU H H 1 7.334 0.000 . 1 . . . . . 38 LEU HN . 27548 1 94 . 1 1 32 32 LEU CA C 13 54.683 0.000 . 1 . . . . . 38 LEU CA . 27548 1 95 . 1 1 32 32 LEU CB C 13 37.788 0.037 . 1 . . . . . 38 LEU CB . 27548 1 96 . 1 1 32 32 LEU N N 15 119.060 0.000 . 1 . . . . . 38 LEU N . 27548 1 97 . 1 1 33 33 VAL H H 1 8.504 0.000 . 1 . . . . . 39 VAL HN . 27548 1 98 . 1 1 33 33 VAL CA C 13 63.855 0.037 . 1 . . . . . 39 VAL CA . 27548 1 99 . 1 1 33 33 VAL CB C 13 27.986 0.038 . 1 . . . . . 39 VAL CB . 27548 1 100 . 1 1 33 33 VAL N N 15 120.293 0.000 . 1 . . . . . 39 VAL N . 27548 1 101 . 1 1 34 34 LYS H H 1 7.433 0.000 . 1 . . . . . 40 LYS HN . 27548 1 102 . 1 1 34 34 LYS CA C 13 56.986 0.075 . 1 . . . . . 40 LYS CA . 27548 1 103 . 1 1 34 34 LYS CB C 13 29.211 0.000 . 1 . . . . . 40 LYS CB . 27548 1 104 . 1 1 34 34 LYS N N 15 117.009 0.000 . 1 . . . . . 40 LYS N . 27548 1 105 . 1 1 35 35 LYS H H 1 7.130 0.000 . 1 . . . . . 41 LYS HN . 27548 1 106 . 1 1 35 35 LYS CA C 13 55.649 0.000 . 1 . . . . . 41 LYS CA . 27548 1 107 . 1 1 35 35 LYS CB C 13 30.064 0.112 . 1 . . . . . 41 LYS CB . 27548 1 108 . 1 1 35 35 LYS N N 15 116.636 0.000 . 1 . . . . . 41 LYS N . 27548 1 109 . 1 1 36 36 LEU H H 1 8.430 0.000 . 1 . . . . . 42 LEU HN . 27548 1 110 . 1 1 36 36 LEU CA C 13 53.681 0.037 . 1 . . . . . 42 LEU CA . 27548 1 111 . 1 1 36 36 LEU CB C 13 37.751 0.074 . 1 . . . . . 42 LEU CB . 27548 1 112 . 1 1 36 36 LEU N N 15 118.579 0.000 . 1 . . . . . 42 LEU N . 27548 1 113 . 1 1 37 37 LYS H H 1 7.976 0.000 . 1 . . . . . 43 LYS HN . 27548 1 114 . 1 1 37 37 LYS CA C 13 55.723 0.074 . 1 . . . . . 43 LYS CA . 27548 1 115 . 1 1 37 37 LYS CB C 13 28.914 0.000 . 1 . . . . . 43 LYS CB . 27548 1 116 . 1 1 37 37 LYS N N 15 117.901 0.000 . 1 . . . . . 43 LYS N . 27548 1 117 . 1 1 38 38 LYS H H 1 7.099 0.000 . 1 . . . . . 44 LYS HN . 27548 1 118 . 1 1 38 38 LYS CA C 13 53.421 0.000 . 1 . . . . . 44 LYS CA . 27548 1 119 . 1 1 38 38 LYS CB C 13 29.360 0.075 . 1 . . . . . 44 LYS CB . 27548 1 120 . 1 1 38 38 LYS N N 15 115.470 0.000 . 1 . . . . . 44 LYS N . 27548 1 121 . 1 1 39 39 LYS H H 1 7.637 0.000 . 1 . . . . . 45 LYS HN . 27548 1 122 . 1 1 39 39 LYS CA C 13 51.601 0.037 . 1 . . . . . 45 LYS CA . 27548 1 123 . 1 1 39 39 LYS CB C 13 29.767 0.111 . 1 . . . . . 45 LYS CB . 27548 1 124 . 1 1 39 39 LYS N N 15 122.015 0.000 . 1 . . . . . 45 LYS N . 27548 1 125 . 1 1 40 40 LYS H H 1 8.368 0.000 . 1 . . . . . 46 LYS HN . 27548 1 126 . 1 1 40 40 LYS CA C 13 55.092 0.037 . 1 . . . . . 46 LYS CA . 27548 1 127 . 1 1 40 40 LYS CB C 13 28.394 0.000 . 1 . . . . . 46 LYS CB . 27548 1 128 . 1 1 40 40 LYS N N 15 126.911 0.000 . 1 . . . . . 46 LYS N . 27548 1 129 . 1 1 41 41 GLY H H 1 9.035 0.000 . 1 . . . . . 47 GLY HN . 27548 1 130 . 1 1 41 41 GLY CA C 13 42.801 0.000 . 1 . . . . . 47 GLY CA . 27548 1 131 . 1 1 41 41 GLY N N 15 115.958 0.000 . 1 . . . . . 47 GLY N . 27548 1 132 . 1 1 42 42 ALA H H 1 7.566 0.000 . 1 . . . . . 48 ALA HN . 27548 1 133 . 1 1 42 42 ALA CA C 13 52.418 0.037 . 1 . . . . . 48 ALA CA . 27548 1 134 . 1 1 42 42 ALA CB C 13 17.032 0.000 . 1 . . . . . 48 ALA CB . 27548 1 135 . 1 1 42 42 ALA N N 15 125.469 0.000 . 1 . . . . . 48 ALA N . 27548 1 136 . 1 1 43 43 MET H H 1 8.679 0.000 . 1 . . . . . 49 MET HN . 27548 1 137 . 1 1 43 43 MET CA C 13 54.535 0.000 . 1 . . . . . 49 MET CA . 27548 1 138 . 1 1 43 43 MET CB C 13 27.614 0.037 . 1 . . . . . 49 MET CB . 27548 1 139 . 1 1 43 43 MET N N 15 117.521 0.000 . 1 . . . . . 49 MET N . 27548 1 140 . 1 1 44 44 GLU H H 1 8.875 0.000 . 1 . . . . . 50 GLU HN . 27548 1 141 . 1 1 44 44 GLU CA C 13 57.431 0.000 . 1 . . . . . 50 GLU CA . 27548 1 142 . 1 1 44 44 GLU CB C 13 24.755 0.000 . 1 . . . . . 50 GLU CB . 27548 1 143 . 1 1 44 44 GLU N N 15 119.989 0.000 . 1 . . . . . 50 GLU N . 27548 1 144 . 1 1 47 47 GLU CA C 13 57.208 0.000 . 1 . . . . . 53 GLU CA . 27548 1 145 . 1 1 47 47 GLU CB C 13 25.869 0.000 . 1 . . . . . 53 GLU CB . 27548 1 146 . 1 1 48 48 LYS H H 1 7.567 0.000 . 1 . . . . . 54 LYS HN . 27548 1 147 . 1 1 48 48 LYS CA C 13 56.503 0.037 . 1 . . . . . 54 LYS CA . 27548 1 148 . 1 1 48 48 LYS CB C 13 28.282 0.186 . 1 . . . . . 54 LYS CB . 27548 1 149 . 1 1 48 48 LYS N N 15 121.699 0.000 . 1 . . . . . 54 LYS N . 27548 1 150 . 1 1 49 49 ALA H H 1 7.689 0.000 . 1 . . . . . 55 ALA HN . 27548 1 151 . 1 1 49 49 ALA CA C 13 51.193 0.000 . 1 . . . . . 55 ALA CA . 27548 1 152 . 1 1 49 49 ALA CB C 13 14.197 0.062 . 1 . . . . . 55 ALA CB . 27548 1 153 . 1 1 49 49 ALA N N 15 122.589 0.000 . 1 . . . . . 55 ALA N . 27548 1 154 . 1 1 50 50 LEU H H 1 7.334 0.000 . 1 . . . . . 56 LEU HN . 27548 1 155 . 1 1 50 50 LEU CA C 13 52.641 0.037 . 1 . . . . . 56 LEU CA . 27548 1 156 . 1 1 50 50 LEU CB C 13 37.306 0.148 . 1 . . . . . 56 LEU CB . 27548 1 157 . 1 1 50 50 LEU N N 15 120.102 0.000 . 1 . . . . . 56 LEU N . 27548 1 158 . 1 1 51 51 SER H H 1 7.118 0.000 . 1 . . . . . 57 SER HN . 27548 1 159 . 1 1 51 51 SER CA C 13 55.871 0.074 . 1 . . . . . 57 SER CA . 27548 1 160 . 1 1 51 51 SER CB C 13 61.181 0.111 . 1 . . . . . 57 SER CB . 27548 1 161 . 1 1 51 51 SER N N 15 109.865 0.000 . 1 . . . . . 57 SER N . 27548 1 162 . 1 1 52 52 SER H H 1 6.905 0.000 . 1 . . . . . 58 SER HN . 27548 1 163 . 1 1 52 52 SER CA C 13 51.787 0.000 . 1 . . . . . 58 SER CA . 27548 1 164 . 1 1 52 52 SER CB C 13 59.882 0.000 . 1 . . . . . 58 SER CB . 27548 1 165 . 1 1 52 52 SER N N 15 116.464 0.000 . 1 . . . . . 58 SER N . 27548 1 166 . 1 1 53 53 PRO CA C 13 60.847 0.000 . 1 . . . . . 59 PRO CA . 27548 1 167 . 1 1 53 53 PRO CB C 13 28.171 0.000 . 1 . . . . . 59 PRO CB . 27548 1 168 . 1 1 54 54 GLY H H 1 8.165 0.000 . 1 . . . . . 60 GLY HN . 27548 1 169 . 1 1 54 54 GLY CA C 13 41.984 0.000 . 1 . . . . . 60 GLY CA . 27548 1 170 . 1 1 54 54 GLY N N 15 108.619 0.000 . 1 . . . . . 60 GLY N . 27548 1 171 . 1 1 55 55 GLN H H 1 7.244 0.000 . 1 . . . . . 61 GLN HN . 27548 1 172 . 1 1 55 55 GLN CA C 13 49.485 0.000 . 1 . . . . . 61 GLN CA . 27548 1 173 . 1 1 55 55 GLN CB C 13 25.720 0.000 . 1 . . . . . 61 GLN CB . 27548 1 174 . 1 1 55 55 GLN N N 15 120.245 0.000 . 1 . . . . . 61 GLN N . 27548 1 175 . 1 1 56 56 PRO CA C 13 60.402 0.000 . 1 . . . . . 62 PRO CA . 27548 1 176 . 1 1 56 56 PRO CB C 13 28.691 0.000 . 1 . . . . . 62 PRO CB . 27548 1 177 . 1 1 57 57 SER H H 1 8.243 0.000 . 1 . . . . . 63 SER HN . 27548 1 178 . 1 1 57 57 SER CA C 13 53.495 0.000 . 1 . . . . . 63 SER CA . 27548 1 179 . 1 1 57 57 SER CB C 13 61.961 0.074 . 1 . . . . . 63 SER CB . 27548 1 180 . 1 1 57 57 SER N N 15 115.723 0.000 . 1 . . . . . 63 SER N . 27548 1 181 . 1 1 58 58 LYS H H 1 9.045 0.000 . 1 . . . . . 64 LYS HN . 27548 1 182 . 1 1 58 58 LYS CA C 13 52.195 0.111 . 1 . . . . . 64 LYS CA . 27548 1 183 . 1 1 58 58 LYS CB C 13 30.437 0.186 . 1 . . . . . 64 LYS CB . 27548 1 184 . 1 1 58 58 LYS N N 15 123.258 0.000 . 1 . . . . . 64 LYS N . 27548 1 185 . 1 1 59 59 CYS H H 1 7.986 0.000 . 1 . . . . . 65 CYS HN . 27548 1 186 . 1 1 59 59 CYS CA C 13 59.770 0.037 . 1 . . . . . 65 CYS CA . 27548 1 187 . 1 1 59 59 CYS CB C 13 28.245 0.000 . 1 . . . . . 65 CYS CB . 27548 1 188 . 1 1 59 59 CYS N N 15 117.246 0.000 . 1 . . . . . 65 CYS N . 27548 1 189 . 1 1 60 60 VAL H H 1 7.939 0.000 . 1 . . . . . 66 VAL HN . 27548 1 190 . 1 1 60 60 VAL CA C 13 58.842 0.223 . 1 . . . . . 66 VAL CA . 27548 1 191 . 1 1 60 60 VAL CB C 13 30.622 0.074 . 1 . . . . . 66 VAL CB . 27548 1 192 . 1 1 60 60 VAL N N 15 124.394 0.000 . 1 . . . . . 66 VAL N . 27548 1 193 . 1 1 61 61 THR H H 1 8.362 0.001 . 1 . . . . . 67 THR HN . 27548 1 194 . 1 1 61 61 THR CA C 13 55.945 0.075 . 1 . . . . . 67 THR CA . 27548 1 195 . 1 1 61 61 THR CB C 13 68.050 0.075 . 1 . . . . . 67 THR CB . 27548 1 196 . 1 1 61 61 THR N N 15 116.175 0.000 . 1 . . . . . 67 THR N . 27548 1 197 . 1 1 62 62 ILE H H 1 8.074 0.000 . 1 . . . . . 68 ILE HN . 27548 1 198 . 1 1 62 62 ILE CA C 13 55.129 0.000 . 1 . . . . . 68 ILE CA . 27548 1 199 . 1 1 62 62 ILE CB C 13 36.266 0.000 . 1 . . . . . 68 ILE CB . 27548 1 200 . 1 1 62 62 ILE N N 15 111.593 0.000 . 1 . . . . . 68 ILE N . 27548 1 201 . 1 1 63 63 PRO CA C 13 59.139 0.000 . 1 . . . . . 69 PRO CA . 27548 1 202 . 1 1 63 63 PRO CB C 13 29.582 0.000 . 1 . . . . . 69 PRO CB . 27548 1 203 . 1 1 64 64 ARG H H 1 8.370 0.000 . 1 . . . . . 70 ARG HN . 27548 1 204 . 1 1 64 64 ARG CA C 13 53.198 0.149 . 1 . . . . . 70 ARG CA . 27548 1 205 . 1 1 64 64 ARG CB C 13 27.057 0.074 . 1 . . . . . 70 ARG CB . 27548 1 206 . 1 1 64 64 ARG N N 15 125.566 0.000 . 1 . . . . . 70 ARG N . 27548 1 207 . 1 1 65 65 SER H H 1 7.877 0.000 . 1 . . . . . 71 SER HN . 27548 1 208 . 1 1 65 65 SER CA C 13 52.678 0.000 . 1 . . . . . 71 SER CA . 27548 1 209 . 1 1 65 65 SER CB C 13 60.921 0.000 . 1 . . . . . 71 SER CB . 27548 1 210 . 1 1 65 65 SER N N 15 116.426 0.000 . 1 . . . . . 71 SER N . 27548 1 211 . 1 1 70 70 LEU CA C 13 50.153 0.000 . 1 . . . . . 76 LEU CA . 27548 1 212 . 1 1 70 70 LEU CB C 13 42.801 0.000 . 1 . . . . . 76 LEU CB . 27548 1 213 . 1 1 71 71 GLN H H 1 8.922 0.000 . 1 . . . . . 77 GLN HN . 27548 1 214 . 1 1 71 71 GLN CA C 13 49.708 0.000 . 1 . . . . . 77 GLN CA . 27548 1 215 . 1 1 71 71 GLN CB C 13 32.478 0.000 . 1 . . . . . 77 GLN CB . 27548 1 216 . 1 1 71 71 GLN N N 15 121.230 0.000 . 1 . . . . . 77 GLN N . 27548 1 217 . 1 1 74 74 HIS CA C 13 52.530 0.000 . 1 . . . . . 80 HIS CA . 27548 1 218 . 1 1 74 74 HIS CB C 13 30.102 0.000 . 1 . . . . . 80 HIS CB . 27548 1 219 . 1 1 75 75 ARG H H 1 8.025 0.000 . 1 . . . . . 81 ARG HN . 27548 1 220 . 1 1 75 75 ARG CA C 13 53.644 0.000 . 1 . . . . . 81 ARG CA . 27548 1 221 . 1 1 75 75 ARG CB C 13 25.646 0.074 . 1 . . . . . 81 ARG CB . 27548 1 222 . 1 1 75 75 ARG N N 15 122.051 0.000 . 1 . . . . . 81 ARG N . 27548 1 223 . 1 1 76 76 LYS H H 1 8.101 0.000 . 1 . . . . . 82 LYS HN . 27548 1 224 . 1 1 76 76 LYS CA C 13 53.495 0.000 . 1 . . . . . 82 LYS CA . 27548 1 225 . 1 1 76 76 LYS CB C 13 25.832 0.112 . 1 . . . . . 82 LYS CB . 27548 1 226 . 1 1 76 76 LYS N N 15 121.079 0.000 . 1 . . . . . 82 LYS N . 27548 1 227 . 1 1 77 77 GLY H H 1 8.356 0.000 . 1 . . . . . 83 GLY HN . 27548 1 228 . 1 1 77 77 GLY CA C 13 41.895 0.000 . 1 . . . . . 83 GLY CA . 27548 1 229 . 1 1 77 77 GLY N N 15 112.091 0.000 . 1 . . . . . 83 GLY N . 27548 1 230 . 1 1 78 78 LEU H H 1 7.885 0.000 . 1 . . . . . 84 LEU HN . 27548 1 231 . 1 1 78 78 LEU CA C 13 49.856 0.000 . 1 . . . . . 84 LEU CA . 27548 1 232 . 1 1 78 78 LEU CB C 13 38.197 0.000 . 1 . . . . . 84 LEU CB . 27548 1 233 . 1 1 78 78 LEU N N 15 123.105 0.000 . 1 . . . . . 84 LEU N . 27548 1 234 . 1 1 79 79 PRO CA C 13 60.253 0.000 . 1 . . . . . 85 PRO CA . 27548 1 235 . 1 1 79 79 PRO CB C 13 28.468 0.000 . 1 . . . . . 85 PRO CB . 27548 1 236 . 1 1 80 80 HIS H H 1 8.021 0.000 . 1 . . . . . 86 HIS HN . 27548 1 237 . 1 1 80 80 HIS CA C 13 53.346 0.000 . 1 . . . . . 86 HIS CA . 27548 1 238 . 1 1 80 80 HIS CB C 13 27.800 0.000 . 1 . . . . . 86 HIS CB . 27548 1 239 . 1 1 80 80 HIS N N 15 122.687 0.000 . 1 . . . . . 86 HIS N . 27548 1 240 . 1 1 90 90 PRO CA C 13 61.813 0.000 . 1 . . . . . 96 PRO CA . 27548 1 241 . 1 1 90 90 PRO CB C 13 28.840 0.000 . 1 . . . . . 96 PRO CB . 27548 1 242 . 1 1 91 91 ASP H H 1 8.357 0.000 . 1 . . . . . 97 ASP HN . 27548 1 243 . 1 1 91 91 ASP CA C 13 49.708 0.075 . 1 . . . . . 97 ASP CA . 27548 1 244 . 1 1 91 91 ASP CB C 13 36.785 0.075 . 1 . . . . . 97 ASP CB . 27548 1 245 . 1 1 91 91 ASP N N 15 112.677 0.000 . 1 . . . . . 97 ASP N . 27548 1 246 . 1 1 92 92 LEU H H 1 7.431 0.000 . 1 . . . . . 98 LEU HN . 27548 1 247 . 1 1 92 92 LEU CA C 13 53.569 0.000 . 1 . . . . . 98 LEU CA . 27548 1 248 . 1 1 92 92 LEU CB C 13 40.000 0.000 . 1 . . . . . 98 LEU CB . 27548 1 249 . 1 1 92 92 LEU N N 15 123.803 0.000 . 1 . . . . . 98 LEU N . 27548 1 250 . 1 1 93 93 GLN CA C 13 53.866 0.000 . 1 . . . . . 99 GLN CA . 27548 1 251 . 1 1 93 93 GLN CB C 13 28.023 0.000 . 1 . . . . . 99 GLN CB . 27548 1 252 . 1 1 94 94 SER H H 1 7.893 0.000 . 1 . . . . . 100 SER HN . 27548 1 253 . 1 1 94 94 SER CA C 13 54.015 0.000 . 1 . . . . . 100 SER CA . 27548 1 254 . 1 1 94 94 SER CB C 13 62.629 0.000 . 1 . . . . . 100 SER CB . 27548 1 255 . 1 1 94 94 SER N N 15 112.137 0.000 . 1 . . . . . 100 SER N . 27548 1 256 . 1 1 96 96 HIS CA C 13 57.505 0.000 . 1 . . . . . 102 HIS CA . 27548 1 257 . 1 1 96 96 HIS CB C 13 24.829 0.000 . 1 . . . . . 102 HIS CB . 27548 1 258 . 1 1 97 97 GLU H H 1 7.721 0.000 . 1 . . . . . 103 GLU HN . 27548 1 259 . 1 1 97 97 GLU CA C 13 55.389 0.037 . 1 . . . . . 103 GLU CA . 27548 1 260 . 1 1 97 97 GLU CB C 13 25.201 0.000 . 1 . . . . . 103 GLU CB . 27548 1 261 . 1 1 97 97 GLU N N 15 121.778 0.000 . 1 . . . . . 103 GLU N . 27548 1 262 . 1 1 98 98 LEU H H 1 7.845 0.000 . 1 . . . . . 104 LEU HN . 27548 1 263 . 1 1 98 98 LEU CA C 13 54.015 0.000 . 1 . . . . . 104 LEU CA . 27548 1 264 . 1 1 98 98 LEU CB C 13 42.900 7.860 . 1 . . . . . 104 LEU CB . 27548 1 265 . 1 1 98 98 LEU N N 15 120.274 0.000 . 1 . . . . . 104 LEU N . 27548 1 266 . 1 1 99 99 LYS H H 1 7.999 0.000 . 1 . . . . . 105 LYS HN . 27548 1 267 . 1 1 99 99 LYS CA C 13 57.357 0.000 . 1 . . . . . 105 LYS CA . 27548 1 268 . 1 1 99 99 LYS CB C 13 25.869 0.000 . 1 . . . . . 105 LYS CB . 27548 1 269 . 1 1 99 99 LYS N N 15 117.246 0.000 . 1 . . . . . 105 LYS N . 27548 1 270 . 1 1 101 101 LEU CA C 13 51.341 0.000 . 1 . . . . . 107 LEU CA . 27548 1 271 . 1 1 101 101 LEU CB C 13 39.459 0.000 . 1 . . . . . 107 LEU CB . 27548 1 272 . 1 1 102 102 ASP H H 1 8.403 0.000 . 1 . . . . . 108 ASP HN . 27548 1 273 . 1 1 102 102 ASP CA C 13 53.718 0.074 . 1 . . . . . 108 ASP CA . 27548 1 274 . 1 1 102 102 ASP CB C 13 36.674 0.037 . 1 . . . . . 108 ASP CB . 27548 1 275 . 1 1 102 102 ASP N N 15 122.153 0.000 . 1 . . . . . 108 ASP N . 27548 1 276 . 1 1 103 103 ILE H H 1 6.579 0.000 . 1 . . . . . 109 ILE HN . 27548 1 277 . 1 1 103 103 ILE CA C 13 57.802 0.000 . 1 . . . . . 109 ILE CA . 27548 1 278 . 1 1 103 103 ILE CB C 13 34.781 0.000 . 1 . . . . . 109 ILE CB . 27548 1 279 . 1 1 103 103 ILE N N 15 109.734 0.000 . 1 . . . . . 109 ILE N . 27548 1 280 . 1 1 104 104 CYS H H 1 6.923 0.000 . 1 . . . . . 110 CYS HN . 27548 1 281 . 1 1 104 104 CYS CA C 13 59.213 0.000 . 1 . . . . . 110 CYS CA . 27548 1 282 . 1 1 104 104 CYS CB C 13 26.945 0.186 . 1 . . . . . 110 CYS CB . 27548 1 283 . 1 1 104 104 CYS N N 15 125.181 0.000 . 1 . . . . . 110 CYS N . 27548 1 284 . 1 1 105 105 GLU H H 1 7.416 0.000 . 1 . . . . . 111 GLU HN . 27548 1 285 . 1 1 105 105 GLU CA C 13 54.015 0.074 . 1 . . . . . 111 GLU CA . 27548 1 286 . 1 1 105 105 GLU CB C 13 27.986 0.038 . 1 . . . . . 111 GLU CB . 27548 1 287 . 1 1 105 105 GLU N N 15 131.879 0.000 . 1 . . . . . 111 GLU N . 27548 1 288 . 1 1 106 106 PHE H H 1 8.241 0.000 . 1 . . . . . 112 PHE HN . 27548 1 289 . 1 1 106 106 PHE CA C 13 51.787 0.000 . 1 . . . . . 112 PHE CA . 27548 1 290 . 1 1 106 106 PHE CB C 13 37.380 0.000 . 1 . . . . . 112 PHE CB . 27548 1 291 . 1 1 106 106 PHE N N 15 119.004 0.000 . 1 . . . . . 112 PHE N . 27548 1 292 . 1 1 107 107 PRO CA C 13 64.483 0.000 . 1 . . . . . 113 PRO CA . 27548 1 293 . 1 1 107 107 PRO CB C 13 26.686 0.000 . 1 . . . . . 113 PRO CB . 27548 1 294 . 1 1 108 108 PHE H H 1 8.336 0.000 . 1 . . . . . 114 PHE HN . 27548 1 295 . 1 1 108 108 PHE CA C 13 51.639 0.148 . 1 . . . . . 114 PHE CA . 27548 1 296 . 1 1 108 108 PHE CB C 13 38.011 0.037 . 1 . . . . . 114 PHE CB . 27548 1 297 . 1 1 108 108 PHE N N 15 120.996 0.000 . 1 . . . . . 114 PHE N . 27548 1 298 . 1 1 109 109 GLY H H 1 7.982 0.000 . 1 . . . . . 115 GLY HN . 27548 1 299 . 1 1 109 109 GLY CA C 13 42.207 0.000 . 1 . . . . . 115 GLY CA . 27548 1 300 . 1 1 109 109 GLY N N 15 121.230 0.000 . 1 . . . . . 115 GLY N . 27548 1 301 . 1 1 110 110 SER H H 1 7.705 0.000 . 1 . . . . . 116 SER HN . 27548 1 302 . 1 1 110 110 SER CA C 13 56.094 0.000 . 1 . . . . . 116 SER CA . 27548 1 303 . 1 1 110 110 SER CB C 13 61.293 0.000 . 1 . . . . . 116 SER CB . 27548 1 304 . 1 1 110 110 SER N N 15 115.958 0.000 . 1 . . . . . 116 SER N . 27548 1 305 . 1 1 113 113 LYS CA C 13 55.277 0.000 . 1 . . . . . 119 LYS CA . 27548 1 306 . 1 1 113 113 LYS CB C 13 29.211 0.000 . 1 . . . . . 119 LYS CB . 27548 1 307 . 1 1 114 114 GLU H H 1 7.230 0.000 . 1 . . . . . 120 GLU HN . 27548 1 308 . 1 1 114 114 GLU CA C 13 54.113 0.590 . 1 . . . . . 120 GLU CA . 27548 1 309 . 1 1 114 114 GLU CB C 13 28.988 0.000 . 1 . . . . . 120 GLU CB . 27548 1 310 . 1 1 114 114 GLU N N 15 117.598 0.000 . 1 . . . . . 120 GLU N . 27548 1 311 . 1 1 115 115 VAL H H 1 9.023 0.000 . 1 . . . . . 121 VAL HN . 27548 1 312 . 1 1 115 115 VAL CA C 13 56.614 0.223 . 1 . . . . . 121 VAL CA . 27548 1 313 . 1 1 115 115 VAL CB C 13 32.441 0.037 . 1 . . . . . 121 VAL CB . 27548 1 314 . 1 1 115 115 VAL N N 15 119.444 0.000 . 1 . . . . . 121 VAL N . 27548 1 315 . 1 1 116 116 CYS H H 1 8.949 0.000 . 1 . . . . . 122 CYS HN . 27548 1 316 . 1 1 116 116 CYS CA C 13 57.097 0.037 . 1 . . . . . 122 CYS CA . 27548 1 317 . 1 1 116 116 CYS CB C 13 27.577 0.074 . 1 . . . . . 122 CYS CB . 27548 1 318 . 1 1 116 116 CYS N N 15 128.738 0.000 . 1 . . . . . 122 CYS N . 27548 1 319 . 1 1 117 117 ILE H H 1 8.938 0.000 . 1 . . . . . 123 ILE HN . 27548 1 320 . 1 1 117 117 ILE CA C 13 55.166 0.111 . 1 . . . . . 123 ILE CA . 27548 1 321 . 1 1 117 117 ILE CB C 13 34.298 0.037 . 1 . . . . . 123 ILE CB . 27548 1 322 . 1 1 117 117 ILE N N 15 120.644 0.000 . 1 . . . . . 123 ILE N . 27548 1 323 . 1 1 118 118 ASN H H 1 8.622 0.000 . 1 . . . . . 124 ASN HN . 27548 1 324 . 1 1 118 118 ASN CA C 13 48.222 0.000 . 1 . . . . . 124 ASN CA . 27548 1 325 . 1 1 118 118 ASN CB C 13 35.300 0.000 . 1 . . . . . 124 ASN CB . 27548 1 326 . 1 1 118 118 ASN N N 15 121.335 0.000 . 1 . . . . . 124 ASN N . 27548 1 327 . 1 1 120 120 TYR CB C 13 41.093 0.000 . 1 . . . . . 126 TYR CB . 27548 1 328 . 1 1 121 121 HIS H H 1 9.387 0.000 . 1 . . . . . 127 HIS HN . 27548 1 329 . 1 1 121 121 HIS CA C 13 53.606 0.111 . 1 . . . . . 127 HIS CA . 27548 1 330 . 1 1 121 121 HIS CB C 13 28.320 0.149 . 1 . . . . . 127 HIS CB . 27548 1 331 . 1 1 121 121 HIS N N 15 125.566 0.000 . 1 . . . . . 127 HIS N . 27548 1 332 . 1 1 122 122 TYR H H 1 6.977 0.000 . 1 . . . . . 128 TYR HN . 27548 1 333 . 1 1 122 122 TYR CA C 13 53.941 0.074 . 1 . . . . . 128 TYR CA . 27548 1 334 . 1 1 122 122 TYR CB C 13 39.756 0.000 . 1 . . . . . 128 TYR CB . 27548 1 335 . 1 1 122 122 TYR N N 15 114.903 0.000 . 1 . . . . . 128 TYR N . 27548 1 336 . 1 1 123 123 LYS H H 1 9.334 0.000 . 1 . . . . . 129 LYS HN . 27548 1 337 . 1 1 123 123 LYS CA C 13 50.970 0.000 . 1 . . . . . 129 LYS CA . 27548 1 338 . 1 1 123 123 LYS CB C 13 32.367 0.111 . 1 . . . . . 129 LYS CB . 27548 1 339 . 1 1 123 123 LYS N N 15 119.004 0.000 . 1 . . . . . 129 LYS N . 27548 1 340 . 1 1 124 124 ARG H H 1 7.855 0.000 . 1 . . . . . 130 ARG HN . 27548 1 341 . 1 1 124 124 ARG CA C 13 51.490 0.000 . 1 . . . . . 130 ARG CA . 27548 1 342 . 1 1 124 124 ARG CB C 13 26.352 0.037 . 1 . . . . . 130 ARG CB . 27548 1 343 . 1 1 124 124 ARG N N 15 123.691 0.000 . 1 . . . . . 130 ARG N . 27548 1 344 . 1 1 125 125 VAL H H 1 8.443 0.000 . 1 . . . . . 131 VAL HN . 27548 1 345 . 1 1 125 125 VAL CA C 13 57.617 0.038 . 1 . . . . . 131 VAL CA . 27548 1 346 . 1 1 125 125 VAL CB C 13 30.548 0.075 . 1 . . . . . 131 VAL CB . 27548 1 347 . 1 1 125 125 VAL N N 15 124.507 0.000 . 1 . . . . . 131 VAL N . 27548 1 348 . 1 1 126 126 GLU H H 1 8.234 0.000 . 1 . . . . . 132 GLU HN . 27548 1 349 . 1 1 126 126 GLU CA C 13 53.272 0.000 . 1 . . . . . 132 GLU CA . 27548 1 350 . 1 1 126 126 GLU CB C 13 26.983 0.074 . 1 . . . . . 132 GLU CB . 27548 1 351 . 1 1 126 126 GLU N N 15 123.578 0.000 . 1 . . . . . 132 GLU N . 27548 1 352 . 1 1 127 127 SER H H 1 8.288 0.000 . 1 . . . . . 133 SER HN . 27548 1 353 . 1 1 127 127 SER CA C 13 52.752 0.000 . 1 . . . . . 133 SER CA . 27548 1 354 . 1 1 127 127 SER CB C 13 60.179 0.000 . 1 . . . . . 133 SER CB . 27548 1 355 . 1 1 127 127 SER N N 15 118.613 0.000 . 1 . . . . . 133 SER N . 27548 1 356 . 1 1 128 128 PRO CA C 13 60.030 0.000 . 1 . . . . . 134 PRO CA . 27548 1 357 . 1 1 129 129 VAL H H 1 7.996 0.000 . 1 . . . . . 135 VAL HN . 27548 1 358 . 1 1 129 129 VAL CA C 13 59.325 0.037 . 1 . . . . . 135 VAL CA . 27548 1 359 . 1 1 129 129 VAL CB C 13 28.840 0.000 . 1 . . . . . 135 VAL CB . 27548 1 360 . 1 1 129 129 VAL N N 15 121.481 0.000 . 1 . . . . . 135 VAL N . 27548 1 361 . 1 1 130 130 LEU H H 1 8.117 0.000 . 1 . . . . . 136 LEU HN . 27548 1 362 . 1 1 130 130 LEU CA C 13 49.633 0.000 . 1 . . . . . 136 LEU CA . 27548 1 363 . 1 1 130 130 LEU CB C 13 37.900 0.000 . 1 . . . . . 136 LEU CB . 27548 1 364 . 1 1 130 130 LEU N N 15 128.962 0.000 . 1 . . . . . 136 LEU N . 27548 1 stop_ save_