data_27866 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27866 _Entry.Title ; A ubiquitin-like dimerization domain controls protein kinase D activation by trans-autophosphorylation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-02 _Entry.Accession_date 2019-04-02 _Entry.Last_release_date 2019-04-03 _Entry.Original_release_date 2019-04-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Thomas Leonard . . . . 27866 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Max F. Perutz Laboratories' . 27866 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27866 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 115 27866 '15N chemical shifts' 106 27866 '1H chemical shifts' 124 27866 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 . . 2020-01-10 2019-04-02 update BMRB 'update entry citation' 27866 1 . . 2019-08-14 2019-04-02 original author 'original release' 27866 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27866 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31406020 _Citation.Full_citation . _Citation.Title ; A ubiquitin-like dimerization domain controls protein kinase D activation by trans-autophosphorylation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 294 _Citation.Journal_issue 39 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 14422 _Citation.Page_last 14441 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Daniel Elsner D. J. . . 27866 1 2 Katharina Siess K. M. . . 27866 1 3 Thomas Gossenreiter T. . . . 27866 1 4 Markus Hartl M. . . . 27866 1 5 Thomas Leonard T. A. . . 27866 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27866 _Assembly.ID 1 _Assembly.Name homodimer _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Dkf1, chain 1' 1 $Dkf1 A . yes native no no . . . 27866 1 2 'Dkf1, chain 2' 1 $Dkf1 B . yes native no no . . . 27866 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dkf1 _Entity.Sf_category entity _Entity.Sf_framecode Dkf1 _Entity.Entry_ID 27866 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dkf1 _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 ; GAMDGSQGSTDYGDHVVLRY GGTREMVPLIRHEQMLDMLM ERARQIVQGFGNLDTRNMYL FRHEYNSPTLLYPITSASQI TSGSILEIILVDRTEAAVIP HVVEPESYMRPTFCDFCGEM LTGLMRQGVKCKNCNGNFHK RCSNAARNNCGAP ; _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 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state reduced _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 27866 1 2 0 ALA . 27866 1 3 1 MET . 27866 1 4 2 ASP . 27866 1 5 3 GLY . 27866 1 6 4 SER . 27866 1 7 5 GLN . 27866 1 8 6 GLY . 27866 1 9 7 SER . 27866 1 10 8 THR . 27866 1 11 9 ASP . 27866 1 12 10 TYR . 27866 1 13 11 GLY . 27866 1 14 12 ASP . 27866 1 15 13 HIS . 27866 1 16 14 VAL . 27866 1 17 15 VAL . 27866 1 18 16 LEU . 27866 1 19 17 ARG . 27866 1 20 18 TYR . 27866 1 21 19 GLY . 27866 1 22 20 GLY . 27866 1 23 21 THR . 27866 1 24 22 ARG . 27866 1 25 23 GLU . 27866 1 26 24 MET . 27866 1 27 25 VAL . 27866 1 28 26 PRO . 27866 1 29 27 LEU . 27866 1 30 28 ILE . 27866 1 31 29 ARG . 27866 1 32 30 HIS . 27866 1 33 31 GLU . 27866 1 34 32 GLN . 27866 1 35 33 MET . 27866 1 36 34 LEU . 27866 1 37 35 ASP . 27866 1 38 36 MET . 27866 1 39 37 LEU . 27866 1 40 38 MET . 27866 1 41 39 GLU . 27866 1 42 40 ARG . 27866 1 43 41 ALA . 27866 1 44 42 ARG . 27866 1 45 43 GLN . 27866 1 46 44 ILE . 27866 1 47 45 VAL . 27866 1 48 46 GLN . 27866 1 49 47 GLY . 27866 1 50 48 PHE . 27866 1 51 49 GLY . 27866 1 52 50 ASN . 27866 1 53 51 LEU . 27866 1 54 52 ASP . 27866 1 55 53 THR . 27866 1 56 54 ARG . 27866 1 57 55 ASN . 27866 1 58 56 MET . 27866 1 59 57 TYR . 27866 1 60 58 LEU . 27866 1 61 59 PHE . 27866 1 62 60 ARG . 27866 1 63 61 HIS . 27866 1 64 62 GLU . 27866 1 65 63 TYR . 27866 1 66 64 ASN . 27866 1 67 65 SER . 27866 1 68 66 PRO . 27866 1 69 67 THR . 27866 1 70 68 LEU . 27866 1 71 69 LEU . 27866 1 72 70 TYR . 27866 1 73 71 PRO . 27866 1 74 72 ILE . 27866 1 75 73 THR . 27866 1 76 74 SER . 27866 1 77 75 ALA . 27866 1 78 76 SER . 27866 1 79 77 GLN . 27866 1 80 78 ILE . 27866 1 81 79 THR . 27866 1 82 80 SER . 27866 1 83 81 GLY . 27866 1 84 82 SER . 27866 1 85 83 ILE . 27866 1 86 84 LEU . 27866 1 87 85 GLU . 27866 1 88 86 ILE . 27866 1 89 87 ILE . 27866 1 90 88 LEU . 27866 1 91 89 VAL . 27866 1 92 90 ASP . 27866 1 93 91 ARG . 27866 1 94 92 THR . 27866 1 95 93 GLU . 27866 1 96 94 ALA . 27866 1 97 95 ALA . 27866 1 98 96 VAL . 27866 1 99 97 ILE . 27866 1 100 98 PRO . 27866 1 101 99 HIS . 27866 1 102 100 VAL . 27866 1 103 101 VAL . 27866 1 104 102 GLU . 27866 1 105 103 PRO . 27866 1 106 104 GLU . 27866 1 107 105 SER . 27866 1 108 106 TYR . 27866 1 109 107 MET . 27866 1 110 108 ARG . 27866 1 111 109 PRO . 27866 1 112 110 THR . 27866 1 113 111 PHE . 27866 1 114 112 CYS . 27866 1 115 113 ASP . 27866 1 116 114 PHE . 27866 1 117 115 CYS . 27866 1 118 116 GLY . 27866 1 119 117 GLU . 27866 1 120 118 MET . 27866 1 121 119 LEU . 27866 1 122 120 THR . 27866 1 123 121 GLY . 27866 1 124 122 LEU . 27866 1 125 123 MET . 27866 1 126 124 ARG . 27866 1 127 125 GLN . 27866 1 128 126 GLY . 27866 1 129 127 VAL . 27866 1 130 128 LYS . 27866 1 131 129 CYS . 27866 1 132 130 LYS . 27866 1 133 131 ASN . 27866 1 134 132 CYS . 27866 1 135 133 ASN . 27866 1 136 134 GLY . 27866 1 137 135 ASN . 27866 1 138 136 PHE . 27866 1 139 137 HIS . 27866 1 140 138 LYS . 27866 1 141 139 ARG . 27866 1 142 140 CYS . 27866 1 143 141 SER . 27866 1 144 142 ASN . 27866 1 145 143 ALA . 27866 1 146 144 ALA . 27866 1 147 145 ARG . 27866 1 148 146 ASN . 27866 1 149 147 ASN . 27866 1 150 148 CYS . 27866 1 151 149 GLY . 27866 1 152 150 ALA . 27866 1 153 151 PRO . 27866 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 27866 1 . ALA 2 2 27866 1 . MET 3 3 27866 1 . ASP 4 4 27866 1 . GLY 5 5 27866 1 . SER 6 6 27866 1 . GLN 7 7 27866 1 . GLY 8 8 27866 1 . SER 9 9 27866 1 . THR 10 10 27866 1 . ASP 11 11 27866 1 . TYR 12 12 27866 1 . GLY 13 13 27866 1 . ASP 14 14 27866 1 . HIS 15 15 27866 1 . VAL 16 16 27866 1 . VAL 17 17 27866 1 . LEU 18 18 27866 1 . ARG 19 19 27866 1 . TYR 20 20 27866 1 . GLY 21 21 27866 1 . GLY 22 22 27866 1 . THR 23 23 27866 1 . ARG 24 24 27866 1 . GLU 25 25 27866 1 . MET 26 26 27866 1 . VAL 27 27 27866 1 . PRO 28 28 27866 1 . LEU 29 29 27866 1 . ILE 30 30 27866 1 . ARG 31 31 27866 1 . HIS 32 32 27866 1 . GLU 33 33 27866 1 . GLN 34 34 27866 1 . MET 35 35 27866 1 . LEU 36 36 27866 1 . ASP 37 37 27866 1 . MET 38 38 27866 1 . LEU 39 39 27866 1 . MET 40 40 27866 1 . GLU 41 41 27866 1 . ARG 42 42 27866 1 . ALA 43 43 27866 1 . ARG 44 44 27866 1 . GLN 45 45 27866 1 . ILE 46 46 27866 1 . VAL 47 47 27866 1 . GLN 48 48 27866 1 . GLY 49 49 27866 1 . PHE 50 50 27866 1 . GLY 51 51 27866 1 . ASN 52 52 27866 1 . LEU 53 53 27866 1 . ASP 54 54 27866 1 . THR 55 55 27866 1 . ARG 56 56 27866 1 . ASN 57 57 27866 1 . MET 58 58 27866 1 . TYR 59 59 27866 1 . LEU 60 60 27866 1 . PHE 61 61 27866 1 . ARG 62 62 27866 1 . HIS 63 63 27866 1 . GLU 64 64 27866 1 . TYR 65 65 27866 1 . ASN 66 66 27866 1 . SER 67 67 27866 1 . PRO 68 68 27866 1 . THR 69 69 27866 1 . LEU 70 70 27866 1 . LEU 71 71 27866 1 . TYR 72 72 27866 1 . PRO 73 73 27866 1 . ILE 74 74 27866 1 . THR 75 75 27866 1 . SER 76 76 27866 1 . ALA 77 77 27866 1 . SER 78 78 27866 1 . GLN 79 79 27866 1 . ILE 80 80 27866 1 . THR 81 81 27866 1 . SER 82 82 27866 1 . GLY 83 83 27866 1 . SER 84 84 27866 1 . ILE 85 85 27866 1 . LEU 86 86 27866 1 . GLU 87 87 27866 1 . ILE 88 88 27866 1 . ILE 89 89 27866 1 . LEU 90 90 27866 1 . VAL 91 91 27866 1 . ASP 92 92 27866 1 . ARG 93 93 27866 1 . THR 94 94 27866 1 . GLU 95 95 27866 1 . ALA 96 96 27866 1 . ALA 97 97 27866 1 . VAL 98 98 27866 1 . ILE 99 99 27866 1 . PRO 100 100 27866 1 . HIS 101 101 27866 1 . VAL 102 102 27866 1 . VAL 103 103 27866 1 . GLU 104 104 27866 1 . PRO 105 105 27866 1 . GLU 106 106 27866 1 . SER 107 107 27866 1 . TYR 108 108 27866 1 . MET 109 109 27866 1 . ARG 110 110 27866 1 . PRO 111 111 27866 1 . THR 112 112 27866 1 . PHE 113 113 27866 1 . CYS 114 114 27866 1 . ASP 115 115 27866 1 . PHE 116 116 27866 1 . CYS 117 117 27866 1 . GLY 118 118 27866 1 . GLU 119 119 27866 1 . MET 120 120 27866 1 . LEU 121 121 27866 1 . THR 122 122 27866 1 . GLY 123 123 27866 1 . LEU 124 124 27866 1 . MET 125 125 27866 1 . ARG 126 126 27866 1 . GLN 127 127 27866 1 . GLY 128 128 27866 1 . VAL 129 129 27866 1 . LYS 130 130 27866 1 . CYS 131 131 27866 1 . LYS 132 132 27866 1 . ASN 133 133 27866 1 . CYS 134 134 27866 1 . ASN 135 135 27866 1 . GLY 136 136 27866 1 . ASN 137 137 27866 1 . PHE 138 138 27866 1 . HIS 139 139 27866 1 . LYS 140 140 27866 1 . ARG 141 141 27866 1 . CYS 142 142 27866 1 . SER 143 143 27866 1 . ASN 144 144 27866 1 . ALA 145 145 27866 1 . ALA 146 146 27866 1 . ARG 147 147 27866 1 . ASN 148 148 27866 1 . ASN 149 149 27866 1 . CYS 150 150 27866 1 . GLY 151 151 27866 1 . ALA 152 152 27866 1 . PRO 153 153 27866 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 27866 _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 $Dkf1 . 6239 organism . 'Caenorhabditis elegans' Roundworm . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . 27866 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 27866 _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 $Dkf1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGST-parallel . . . 27866 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Dkf1_ULD-C1a _Sample.Sf_category sample _Sample.Sf_framecode Dkf1_ULD-C1a _Sample.Entry_ID 27866 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Dkf1 [U-15N] . . 1 $Dkf1 . . 0.3 . . mM . . . . 27866 1 2 KCl 'natural abundance' . . . . . . 150 . . mM . . . . 27866 1 stop_ save_ save_DKf1_ULD _Sample.Sf_category sample _Sample.Sf_framecode DKf1_ULD _Sample.Entry_ID 27866 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Dkf1 '[U-13C; U-15N]' . . 1 $Dkf1 . . 1.2 . . mM . . . . 27866 2 2 KCl 'natural abundance' . . . . . . 150 . . mM . . . . 27866 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27866 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.135 . M 27866 1 pH 7.2 . pH 27866 1 pressure 1 . atm 27866 1 temperature 298 . K 27866 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27866 _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' . . 27866 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27866 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27866 _Software.ID 2 _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' . . 27866 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27866 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 27866 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27866 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 27866 3 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 27866 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27866 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27866 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27866 1 2 spectrometer_2 Bruker Avance . 800 . . . 27866 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 27866 _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 . . . . . . . . . . 2 $DKf1_ULD isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27866 1 2 '3D HNHA' no . . . . . . . . . . 2 $DKf1_ULD isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27866 1 3 '3D HNCACB' no . . . . . . . . . . 2 $DKf1_ULD isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27866 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $DKf1_ULD isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27866 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Dkf1_ULD-C1a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27866 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 27866 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27866 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27866 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27866 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 27866 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNHA' . . . 27866 1 3 '3D HNCACB' . . . 27866 1 4 '3D CBCA(CO)NH' . . . 27866 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 11 11 ASP CA C 13 53.990002 . . 1 . . . . . 9 D CA . 27866 1 2 . 1 1 11 11 ASP CB C 13 41.200001 . . 1 . . . . . 9 D CB . 27866 1 3 . 1 1 12 12 TYR H H 1 8.156000 . . 1 . . . . . 10 Y HN . 27866 1 4 . 1 1 12 12 TYR HA H 1 4.479000 . . 1 . . . . . 10 Y HA . 27866 1 5 . 1 1 12 12 TYR CA C 13 58.099998 . . 1 . . . . . 10 Y CA . 27866 1 6 . 1 1 12 12 TYR CB C 13 38.439999 . . 1 . . . . . 10 Y CB . 27866 1 7 . 1 1 12 12 TYR N N 15 121.199997 . . 1 . . . . . 10 Y N . 27866 1 8 . 1 1 13 13 GLY H H 1 8.318000 . . 1 . . . . . 11 G HN . 27866 1 9 . 1 1 13 13 GLY HA2 H 1 3.965000 . . 1 . . . . . 11 G HA# . 27866 1 10 . 1 1 13 13 GLY HA3 H 1 3.965000 . . 1 . . . . . 11 G HA# . 27866 1 11 . 1 1 13 13 GLY CA C 13 45.090000 . . 1 . . . . . 11 G CA . 27866 1 12 . 1 1 13 13 GLY N N 15 108.900002 . . 1 . . . . . 11 G N . 27866 1 13 . 1 1 14 14 ASP H H 1 8.540000 . . 1 . . . . . 12 D HN . 27866 1 14 . 1 1 14 14 ASP CA C 13 54.810001 . . 1 . . . . . 12 D CA . 27866 1 15 . 1 1 14 14 ASP CB C 13 40.900002 . . 1 . . . . . 12 D CB . 27866 1 16 . 1 1 14 14 ASP N N 15 124.099998 . . 1 . . . . . 12 D N . 27866 1 17 . 1 1 15 15 HIS H H 1 8.333000 . . 1 . . . . . 13 H HN . 27866 1 18 . 1 1 15 15 HIS CA C 13 56.330002 . . 1 . . . . . 13 H CA . 27866 1 19 . 1 1 15 15 HIS CB C 13 32.560001 . . 1 . . . . . 13 H CB . 27866 1 20 . 1 1 15 15 HIS N N 15 120.900002 . . 1 . . . . . 13 H N . 27866 1 21 . 1 1 16 16 VAL H H 1 8.835000 . . 1 . . . . . 14 V HN . 27866 1 22 . 1 1 16 16 VAL CA C 13 59.650002 . . 1 . . . . . 14 V CA . 27866 1 23 . 1 1 16 16 VAL CB C 13 35.360001 . . 1 . . . . . 14 V CB . 27866 1 24 . 1 1 16 16 VAL N N 15 113.099998 . . 1 . . . . . 14 V N . 27866 1 25 . 1 1 17 17 VAL H H 1 8.604000 . . 1 . . . . . 15 V HN . 27866 1 26 . 1 1 17 17 VAL CA C 13 61.520000 . . 1 . . . . . 15 V CA . 27866 1 27 . 1 1 17 17 VAL CB C 13 33.730000 . . 1 . . . . . 15 V CB . 27866 1 28 . 1 1 17 17 VAL N N 15 122.800003 . . 1 . . . . . 15 V N . 27866 1 29 . 1 1 18 18 LEU H H 1 8.973000 . . 1 . . . . . 16 L HN . 27866 1 30 . 1 1 18 18 LEU CA C 13 53.320000 . . 1 . . . . . 16 L CA . 27866 1 31 . 1 1 18 18 LEU CB C 13 44.320000 . . 1 . . . . . 16 L CB . 27866 1 32 . 1 1 18 18 LEU N N 15 126.400002 . . 1 . . . . . 16 L N . 27866 1 33 . 1 1 19 19 ARG H H 1 8.871000 . . 1 . . . . . 17 R HN . 27866 1 34 . 1 1 19 19 ARG CA C 13 55.029999 . . 1 . . . . . 17 R CA . 27866 1 35 . 1 1 19 19 ARG CB C 13 34.580002 . . 1 . . . . . 17 R CB . 27866 1 36 . 1 1 19 19 ARG N N 15 121.699997 . . 1 . . . . . 17 R N . 27866 1 37 . 1 1 22 22 GLY CA C 13 45.759998 . . 1 . . . . . 20 G CA . 27866 1 38 . 1 1 23 23 THR H H 1 7.718000 . . 1 . . . . . 21 T HN . 27866 1 39 . 1 1 23 23 THR HA H 1 4.414000 . . 1 . . . . . 21 T HA . 27866 1 40 . 1 1 23 23 THR CA C 13 63.400002 . . 1 . . . . . 21 T CA . 27866 1 41 . 1 1 23 23 THR CB C 13 70.349998 . . 1 . . . . . 21 T CB . 27866 1 42 . 1 1 23 23 THR N N 15 119.400002 . . 1 . . . . . 21 T N . 27866 1 43 . 1 1 24 24 ARG H H 1 8.674000 . . 1 . . . . . 22 R HN . 27866 1 44 . 1 1 24 24 ARG HA H 1 5.387000 . . 1 . . . . . 22 R HA . 27866 1 45 . 1 1 24 24 ARG CA C 13 54.410000 . . 1 . . . . . 22 R CA . 27866 1 46 . 1 1 24 24 ARG CB C 13 33.560001 . . 1 . . . . . 22 R CB . 27866 1 47 . 1 1 24 24 ARG N N 15 125.500000 . . 1 . . . . . 22 R N . 27866 1 48 . 1 1 25 25 GLU H H 1 9.038000 . . 1 . . . . . 23 E HN . 27866 1 49 . 1 1 25 25 GLU HA H 1 4.675000 . . 1 . . . . . 23 E HA . 27866 1 50 . 1 1 25 25 GLU CA C 13 55.349998 . . 1 . . . . . 23 E CA . 27866 1 51 . 1 1 25 25 GLU N N 15 122.900002 . . 1 . . . . . 23 E N . 27866 1 52 . 1 1 26 26 MET H H 1 8.788000 . . 1 . . . . . 24 M HN . 27866 1 53 . 1 1 26 26 MET HA H 1 4.902000 . . 1 . . . . . 24 M HA . 27866 1 54 . 1 1 26 26 MET CA C 13 55.509998 . . 1 . . . . . 24 M CA . 27866 1 55 . 1 1 26 26 MET CB C 13 33.049999 . . 1 . . . . . 24 M CB . 27866 1 56 . 1 1 26 26 MET N N 15 125.500000 . . 1 . . . . . 24 M N . 27866 1 57 . 1 1 27 27 VAL H H 1 9.260000 . . 1 . . . . . 25 V HN . 27866 1 58 . 1 1 27 27 VAL HA H 1 4.651000 . . 1 . . . . . 25 V HA . 27866 1 59 . 1 1 27 27 VAL CA C 13 59.110001 . . 1 . . . . . 25 V CA . 27866 1 60 . 1 1 27 27 VAL CB C 13 34.599998 . . 1 . . . . . 25 V CB . 27866 1 61 . 1 1 27 27 VAL N N 15 126.599998 . . 1 . . . . . 25 V N . 27866 1 62 . 1 1 28 28 PRO CA C 13 63.040001 . . 1 . . . . . 26 P CA . 27866 1 63 . 1 1 28 28 PRO CB C 13 32.119999 . . 1 . . . . . 26 P CB . 27866 1 64 . 1 1 29 29 LEU H H 1 7.977000 . . 1 . . . . . 27 L HN . 27866 1 65 . 1 1 29 29 LEU CA C 13 53.770000 . . 1 . . . . . 27 L CA . 27866 1 66 . 1 1 29 29 LEU CB C 13 43.279999 . . 1 . . . . . 27 L CB . 27866 1 67 . 1 1 29 29 LEU N N 15 123.400002 . . 1 . . . . . 27 L N . 27866 1 68 . 1 1 30 30 ILE H H 1 7.960000 . . 1 . . . . . 28 I HN . 27866 1 69 . 1 1 30 30 ILE CA C 13 60.130001 . . 1 . . . . . 28 I CA . 27866 1 70 . 1 1 30 30 ILE CB C 13 39.570000 . . 1 . . . . . 28 I CB . 27866 1 71 . 1 1 30 30 ILE N N 15 125.000000 . . 1 . . . . . 28 I N . 27866 1 72 . 1 1 34 34 GLN CA C 13 55.770000 . . 1 . . . . . 32 Q CA . 27866 1 73 . 1 1 34 34 GLN CB C 13 28.200001 . . 1 . . . . . 32 Q CB . 27866 1 74 . 1 1 35 35 MET H H 1 7.640000 . . 1 . . . . . 33 M HN . 27866 1 75 . 1 1 35 35 MET CA C 13 59.150002 . . 1 . . . . . 33 M CA . 27866 1 76 . 1 1 35 35 MET CB C 13 33.860001 . . 1 . . . . . 33 M CB . 27866 1 77 . 1 1 35 35 MET N N 15 120.000000 . . 1 . . . . . 33 M N . 27866 1 78 . 1 1 36 36 LEU H H 1 8.606000 . . 1 . . . . . 34 L HN . 27866 1 79 . 1 1 36 36 LEU HA H 1 4.019000 . . 1 . . . . . 34 L HA . 27866 1 80 . 1 1 36 36 LEU CA C 13 58.500000 . . 1 . . . . . 34 L CA . 27866 1 81 . 1 1 36 36 LEU CB C 13 41.240002 . . 1 . . . . . 34 L CB . 27866 1 82 . 1 1 36 36 LEU N N 15 119.199997 . . 1 . . . . . 34 L N . 27866 1 83 . 1 1 37 37 ASP H H 1 7.845000 . . 1 . . . . . 35 D HN . 27866 1 84 . 1 1 37 37 ASP HA H 1 4.110000 . . 1 . . . . . 35 D HA . 27866 1 85 . 1 1 37 37 ASP CA C 13 57.560001 . . 1 . . . . . 35 D CA . 27866 1 86 . 1 1 37 37 ASP CB C 13 40.099998 . . 1 . . . . . 35 D CB . 27866 1 87 . 1 1 37 37 ASP N N 15 119.199997 . . 1 . . . . . 35 D N . 27866 1 88 . 1 1 38 38 MET H H 1 8.124000 . . 1 . . . . . 36 M HN . 27866 1 89 . 1 1 38 38 MET HA H 1 4.156000 . . 1 . . . . . 36 M HA . 27866 1 90 . 1 1 38 38 MET CA C 13 59.150002 . . 1 . . . . . 36 M CA . 27866 1 91 . 1 1 38 38 MET CB C 13 32.020000 . . 1 . . . . . 36 M CB . 27866 1 92 . 1 1 38 38 MET N N 15 119.400002 . . 1 . . . . . 36 M N . 27866 1 93 . 1 1 39 39 LEU H H 1 8.204000 . . 1 . . . . . 37 L HN . 27866 1 94 . 1 1 39 39 LEU HA H 1 4.268000 . . 1 . . . . . 37 L HA . 27866 1 95 . 1 1 39 39 LEU CA C 13 58.049999 . . 1 . . . . . 37 L CA . 27866 1 96 . 1 1 39 39 LEU N N 15 121.699997 . . 1 . . . . . 37 L N . 27866 1 97 . 1 1 40 40 MET H H 1 8.550000 . . 1 . . . . . 38 M HN . 27866 1 98 . 1 1 40 40 MET HA H 1 4.182000 . . 1 . . . . . 38 M HA . 27866 1 99 . 1 1 40 40 MET CA C 13 57.169998 . . 1 . . . . . 38 M CA . 27866 1 100 . 1 1 40 40 MET CB C 13 30.549999 . . 1 . . . . . 38 M CB . 27866 1 101 . 1 1 40 40 MET N N 15 117.500000 . . 1 . . . . . 38 M N . 27866 1 102 . 1 1 41 41 GLU H H 1 7.922000 . . 1 . . . . . 39 E HN . 27866 1 103 . 1 1 41 41 GLU HA H 1 4.112000 . . 1 . . . . . 39 E HA . 27866 1 104 . 1 1 41 41 GLU CA C 13 59.180000 . . 1 . . . . . 39 E CA . 27866 1 105 . 1 1 41 41 GLU N N 15 119.800003 . . 1 . . . . . 39 E N . 27866 1 106 . 1 1 42 42 ARG H H 1 7.824000 . . 1 . . . . . 40 R HN . 27866 1 107 . 1 1 42 42 ARG CA C 13 57.320000 . . 1 . . . . . 40 R CA . 27866 1 108 . 1 1 42 42 ARG CB C 13 28.370001 . . 1 . . . . . 40 R CB . 27866 1 109 . 1 1 42 42 ARG N N 15 119.199997 . . 1 . . . . . 40 R N . 27866 1 110 . 1 1 43 43 ALA H H 1 8.589000 . . 1 . . . . . 41 A HN . 27866 1 111 . 1 1 43 43 ALA CA C 13 55.619999 . . 1 . . . . . 41 A CA . 27866 1 112 . 1 1 43 43 ALA CB C 13 18.650000 . . 1 . . . . . 41 A CB . 27866 1 113 . 1 1 43 43 ALA N N 15 121.699997 . . 1 . . . . . 41 A N . 27866 1 114 . 1 1 44 44 ARG H H 1 8.294000 . . 1 . . . . . 42 R HN . 27866 1 115 . 1 1 44 44 ARG CA C 13 60.590000 . . 1 . . . . . 42 R CA . 27866 1 116 . 1 1 44 44 ARG CB C 13 30.049999 . . 1 . . . . . 42 R CB . 27866 1 117 . 1 1 44 44 ARG N N 15 117.400002 . . 1 . . . . . 42 R N . 27866 1 118 . 1 1 45 45 GLN H H 1 7.691000 . . 1 . . . . . 43 Q HN . 27866 1 119 . 1 1 45 45 GLN CA C 13 58.910000 . . 1 . . . . . 43 Q CA . 27866 1 120 . 1 1 45 45 GLN CB C 13 27.820000 . . 1 . . . . . 43 Q CB . 27866 1 121 . 1 1 45 45 GLN N N 15 117.300003 . . 1 . . . . . 43 Q N . 27866 1 122 . 1 1 46 46 ILE H H 1 7.903000 . . 1 . . . . . 44 I HN . 27866 1 123 . 1 1 46 46 ILE CA C 13 65.440002 . . 1 . . . . . 44 I CA . 27866 1 124 . 1 1 46 46 ILE CB C 13 38.189999 . . 1 . . . . . 44 I CB . 27866 1 125 . 1 1 46 46 ILE N N 15 121.400002 . . 1 . . . . . 44 I N . 27866 1 126 . 1 1 47 47 VAL H H 1 7.858000 . . 1 . . . . . 45 V HN . 27866 1 127 . 1 1 47 47 VAL CA C 13 66.230003 . . 1 . . . . . 45 V CA . 27866 1 128 . 1 1 47 47 VAL CB C 13 31.379999 . . 1 . . . . . 45 V CB . 27866 1 129 . 1 1 47 47 VAL N N 15 118.400002 . . 1 . . . . . 45 V N . 27866 1 130 . 1 1 48 48 GLN H H 1 8.471000 . . 1 . . . . . 46 Q HN . 27866 1 131 . 1 1 48 48 GLN CA C 13 58.230000 . . 1 . . . . . 46 Q CA . 27866 1 132 . 1 1 48 48 GLN CB C 13 27.950001 . . 1 . . . . . 46 Q CB . 27866 1 133 . 1 1 48 48 GLN N N 15 118.699997 . . 1 . . . . . 46 Q N . 27866 1 134 . 1 1 49 49 GLY H H 1 7.855000 . . 1 . . . . . 47 G HN . 27866 1 135 . 1 1 49 49 GLY HA2 H 1 3.867000 . . 1 . . . . . 47 G HA# . 27866 1 136 . 1 1 49 49 GLY HA3 H 1 3.867000 . . 1 . . . . . 47 G HA# . 27866 1 137 . 1 1 49 49 GLY CA C 13 46.130001 . . 1 . . . . . 47 G CA . 27866 1 138 . 1 1 49 49 GLY N N 15 107.500000 . . 1 . . . . . 47 G N . 27866 1 139 . 1 1 50 50 PHE H H 1 7.820000 . . 1 . . . . . 48 F HN . 27866 1 140 . 1 1 50 50 PHE CA C 13 58.930000 . . 1 . . . . . 48 F CA . 27866 1 141 . 1 1 50 50 PHE CB C 13 39.610001 . . 1 . . . . . 48 F CB . 27866 1 142 . 1 1 50 50 PHE N N 15 118.300003 . . 1 . . . . . 48 F N . 27866 1 143 . 1 1 51 51 GLY H H 1 7.897000 . . 1 . . . . . 49 G HN . 27866 1 144 . 1 1 51 51 GLY CA C 13 45.220001 . . 1 . . . . . 49 G CA . 27866 1 145 . 1 1 51 51 GLY N N 15 107.400002 . . 1 . . . . . 49 G N . 27866 1 146 . 1 1 54 54 ASP CA C 13 57.770000 . . 1 . . . . . 52 D CA . 27866 1 147 . 1 1 54 54 ASP CB C 13 46.840000 . . 1 . . . . . 52 D CB . 27866 1 148 . 1 1 55 55 THR H H 1 7.658000 . . 1 . . . . . 53 T HN . 27866 1 149 . 1 1 55 55 THR CA C 13 62.049999 . . 1 . . . . . 53 T CA . 27866 1 150 . 1 1 55 55 THR CB C 13 69.720001 . . 1 . . . . . 53 T CB . 27866 1 151 . 1 1 55 55 THR N N 15 106.699997 . . 1 . . . . . 53 T N . 27866 1 152 . 1 1 56 56 ARG H H 1 8.216000 . . 1 . . . . . 54 R HN . 27866 1 153 . 1 1 56 56 ARG CA C 13 59.139999 . . 1 . . . . . 54 R CA . 27866 1 154 . 1 1 56 56 ARG CB C 13 30.049999 . . 1 . . . . . 54 R CB . 27866 1 155 . 1 1 56 56 ARG N N 15 123.099998 . . 1 . . . . . 54 R N . 27866 1 156 . 1 1 57 57 ASN H H 1 8.672000 . . 1 . . . . . 55 N HN . 27866 1 157 . 1 1 57 57 ASN CA C 13 52.099998 . . 1 . . . . . 55 N CA . 27866 1 158 . 1 1 57 57 ASN CB C 13 38.580002 . . 1 . . . . . 55 N CB . 27866 1 159 . 1 1 57 57 ASN N N 15 116.800003 . . 1 . . . . . 55 N N . 27866 1 160 . 1 1 58 58 MET H H 1 7.121000 . . 1 . . . . . 56 M HN . 27866 1 161 . 1 1 58 58 MET CA C 13 56.080002 . . 1 . . . . . 56 M CA . 27866 1 162 . 1 1 58 58 MET CB C 13 35.080002 . . 1 . . . . . 56 M CB . 27866 1 163 . 1 1 58 58 MET N N 15 119.500000 . . 1 . . . . . 56 M N . 27866 1 164 . 1 1 59 59 TYR H H 1 9.134000 . . 1 . . . . . 57 Y HN . 27866 1 165 . 1 1 59 59 TYR CA C 13 57.070000 . . 1 . . . . . 57 Y CA . 27866 1 166 . 1 1 59 59 TYR CB C 13 43.810001 . . 1 . . . . . 57 Y CB . 27866 1 167 . 1 1 59 59 TYR N N 15 126.300003 . . 1 . . . . . 57 Y N . 27866 1 168 . 1 1 60 60 LEU H H 1 8.631000 . . 1 . . . . . 58 L HN . 27866 1 169 . 1 1 60 60 LEU CA C 13 52.650002 . . 1 . . . . . 58 L CA . 27866 1 170 . 1 1 60 60 LEU CB C 13 43.720001 . . 1 . . . . . 58 L CB . 27866 1 171 . 1 1 60 60 LEU N N 15 117.900002 . . 1 . . . . . 58 L N . 27866 1 172 . 1 1 61 61 PHE H H 1 9.440000 . . 1 . . . . . 59 F HN . 27866 1 173 . 1 1 61 61 PHE CA C 13 56.310001 . . 1 . . . . . 59 F CA . 27866 1 174 . 1 1 61 61 PHE CB C 13 43.099998 . . 1 . . . . . 59 F CB . 27866 1 175 . 1 1 61 61 PHE N N 15 120.099998 . . 1 . . . . . 59 F N . 27866 1 176 . 1 1 66 66 ASN CA C 13 52.950001 . . 1 . . . . . 64 N CA . 27866 1 177 . 1 1 66 66 ASN CB C 13 38.169998 . . 1 . . . . . 64 N CB . 27866 1 178 . 1 1 67 67 SER H H 1 7.831000 . . 1 . . . . . 65 S HN . 27866 1 179 . 1 1 67 67 SER CA C 13 55.570000 . . 1 . . . . . 65 S CA . 27866 1 180 . 1 1 67 67 SER CB C 13 64.750000 . . 1 . . . . . 65 S CB . 27866 1 181 . 1 1 67 67 SER N N 15 115.300003 . . 1 . . . . . 65 S N . 27866 1 182 . 1 1 73 73 PRO CA C 13 62.180000 . . 1 . . . . . 71 P CA . 27866 1 183 . 1 1 74 74 ILE H H 1 8.552000 . . 1 . . . . . 72 I HN . 27866 1 184 . 1 1 74 74 ILE CA C 13 58.860001 . . 1 . . . . . 72 I CA . 27866 1 185 . 1 1 74 74 ILE N N 15 121.599998 . . 1 . . . . . 72 I N . 27866 1 186 . 1 1 79 79 GLN CA C 13 56.020000 . . 1 . . . . . 77 Q CA . 27866 1 187 . 1 1 79 79 GLN CB C 13 30.100000 . . 1 . . . . . 77 Q CB . 27866 1 188 . 1 1 80 80 ILE H H 1 7.592000 . . 1 . . . . . 78 I HN . 27866 1 189 . 1 1 80 80 ILE CA C 13 61.380001 . . 1 . . . . . 78 I CA . 27866 1 190 . 1 1 80 80 ILE CB C 13 37.430000 . . 1 . . . . . 78 I CB . 27866 1 191 . 1 1 80 80 ILE N N 15 119.099998 . . 1 . . . . . 78 I N . 27866 1 192 . 1 1 81 81 THR H H 1 7.533000 . . 1 . . . . . 79 T HN . 27866 1 193 . 1 1 81 81 THR CA C 13 59.570000 . . 1 . . . . . 79 T CA . 27866 1 194 . 1 1 81 81 THR N N 15 117.599998 . . 1 . . . . . 79 T N . 27866 1 195 . 1 1 82 82 SER CA C 13 59.810001 . . 1 . . . . . 80 S CA . 27866 1 196 . 1 1 82 82 SER CB C 13 62.630001 . . 1 . . . . . 80 S CB . 27866 1 197 . 1 1 83 83 GLY H H 1 9.064000 . . 1 . . . . . 81 G HN . 27866 1 198 . 1 1 83 83 GLY CA C 13 44.709999 . . 1 . . . . . 81 G CA . 27866 1 199 . 1 1 83 83 GLY N N 15 115.300003 . . 1 . . . . . 81 G N . 27866 1 200 . 1 1 84 84 SER H H 1 7.691000 . . 1 . . . . . 82 S HN . 27866 1 201 . 1 1 84 84 SER CA C 13 60.439999 . . 1 . . . . . 82 S CA . 27866 1 202 . 1 1 84 84 SER CB C 13 65.209999 . . 1 . . . . . 82 S CB . 27866 1 203 . 1 1 84 84 SER N N 15 115.199997 . . 1 . . . . . 82 S N . 27866 1 204 . 1 1 85 85 ILE H H 1 8.343000 . . 1 . . . . . 83 I HN . 27866 1 205 . 1 1 85 85 ILE CA C 13 60.349998 . . 1 . . . . . 83 I CA . 27866 1 206 . 1 1 85 85 ILE N N 15 122.300003 . . 1 . . . . . 83 I N . 27866 1 207 . 1 1 86 86 LEU H H 1 9.232000 . . 1 . . . . . 84 L HN . 27866 1 208 . 1 1 86 86 LEU CA C 13 52.310001 . . 1 . . . . . 84 L CA . 27866 1 209 . 1 1 86 86 LEU N N 15 127.000000 . . 1 . . . . . 84 L N . 27866 1 210 . 1 1 87 87 GLU CA C 13 54.779999 . . 1 . . . . . 85 E CA . 27866 1 211 . 1 1 88 88 ILE H H 1 9.158000 . . 1 . . . . . 86 I HN . 27866 1 212 . 1 1 88 88 ILE CA C 13 62.040001 . . 1 . . . . . 86 I CA . 27866 1 213 . 1 1 88 88 ILE N N 15 126.000000 . . 1 . . . . . 86 I N . 27866 1 214 . 1 1 89 89 ILE H H 1 8.787000 . . 1 . . . . . 87 I HN . 27866 1 215 . 1 1 89 89 ILE CA C 13 58.930000 . . 1 . . . . . 87 I CA . 27866 1 216 . 1 1 89 89 ILE CB C 13 40.700001 . . 1 . . . . . 87 I CB . 27866 1 217 . 1 1 89 89 ILE N N 15 127.500000 . . 1 . . . . . 87 I N . 27866 1 218 . 1 1 90 90 LEU H H 1 8.844000 . . 1 . . . . . 88 L HN . 27866 1 219 . 1 1 90 90 LEU CA C 13 53.830002 . . 1 . . . . . 88 L CA . 27866 1 220 . 1 1 90 90 LEU CB C 13 40.570000 . . 1 . . . . . 88 L CB . 27866 1 221 . 1 1 90 90 LEU N N 15 128.399994 . . 1 . . . . . 88 L N . 27866 1 222 . 1 1 91 91 VAL H H 1 8.270000 . . 1 . . . . . 89 V HN . 27866 1 223 . 1 1 91 91 VAL CA C 13 62.060001 . . 1 . . . . . 89 V CA . 27866 1 224 . 1 1 91 91 VAL N N 15 124.199997 . . 1 . . . . . 89 V N . 27866 1 225 . 1 1 92 92 ASP CA C 13 54.419998 . . 1 . . . . . 90 D CA . 27866 1 226 . 1 1 92 92 ASP CB C 13 42.090000 . . 1 . . . . . 90 D CB . 27866 1 227 . 1 1 93 93 ARG H H 1 8.155000 . . 1 . . . . . 91 R HN . 27866 1 228 . 1 1 93 93 ARG CA C 13 55.630001 . . 1 . . . . . 91 R CA . 27866 1 229 . 1 1 93 93 ARG CB C 13 30.770000 . . 1 . . . . . 91 R CB . 27866 1 230 . 1 1 93 93 ARG N N 15 121.900002 . . 1 . . . . . 91 R N . 27866 1 231 . 1 1 94 94 THR H H 1 8.156000 . . 1 . . . . . 92 T HN . 27866 1 232 . 1 1 94 94 THR CA C 13 62.450001 . . 1 . . . . . 92 T CA . 27866 1 233 . 1 1 94 94 THR N N 15 116.500000 . . 1 . . . . . 92 T N . 27866 1 234 . 1 1 95 95 GLU H H 1 8.411000 . . 1 . . . . . 93 E HN . 27866 1 235 . 1 1 95 95 GLU HA H 1 4.297000 . . 1 . . . . . 93 E HA . 27866 1 236 . 1 1 95 95 GLU CA C 13 56.369999 . . 1 . . . . . 93 E CA . 27866 1 237 . 1 1 95 95 GLU CB C 13 30.340000 . . 1 . . . . . 93 E CB . 27866 1 238 . 1 1 95 95 GLU N N 15 123.800003 . . 1 . . . . . 93 E N . 27866 1 239 . 1 1 96 96 ALA H H 1 7.972000 . . 1 . . . . . 94 A HN . 27866 1 240 . 1 1 96 96 ALA HA H 1 4.085000 . . 1 . . . . . 94 A HA . 27866 1 241 . 1 1 96 96 ALA CA C 13 53.900002 . . 1 . . . . . 94 A CA . 27866 1 242 . 1 1 96 96 ALA CB C 13 20.000000 . . 1 . . . . . 94 A CB . 27866 1 243 . 1 1 96 96 ALA N N 15 130.699997 . . 1 . . . . . 94 A N . 27866 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27866 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '2D 1H-15N HSQC' . . . 27866 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 12 12 TYR H H 1 8.174000 . . 1 . . . . . 10 Y HN . 27866 2 2 . 1 1 12 12 TYR N N 15 121.300003 . . 1 . . . . . 10 Y N . 27866 2 3 . 1 1 13 13 GLY H H 1 8.334000 . . 1 . . . . . 11 G HN . 27866 2 4 . 1 1 13 13 GLY N N 15 109.000000 . . 1 . . . . . 11 G N . 27866 2 5 . 1 1 14 14 ASP H H 1 8.524000 . . 1 . . . . . 12 D HN . 27866 2 6 . 1 1 14 14 ASP N N 15 124.300003 . . 1 . . . . . 12 D N . 27866 2 7 . 1 1 15 15 HIS H H 1 8.333000 . . 1 . . . . . 13 H HN . 27866 2 8 . 1 1 15 15 HIS N N 15 121.099998 . . 1 . . . . . 13 H N . 27866 2 9 . 1 1 16 16 VAL H H 1 8.850000 . . 1 . . . . . 14 V HN . 27866 2 10 . 1 1 16 16 VAL N N 15 113.099998 . . 1 . . . . . 14 V N . 27866 2 11 . 1 1 17 17 VAL H H 1 8.624000 . . 1 . . . . . 15 V HN . 27866 2 12 . 1 1 17 17 VAL N N 15 122.800003 . . 1 . . . . . 15 V N . 27866 2 13 . 1 1 18 18 LEU H H 1 8.977000 . . 1 . . . . . 16 L HN . 27866 2 14 . 1 1 18 18 LEU N N 15 126.500000 . . 1 . . . . . 16 L N . 27866 2 15 . 1 1 19 19 ARG H H 1 8.893000 . . 1 . . . . . 17 R HN . 27866 2 16 . 1 1 19 19 ARG N N 15 121.800003 . . 1 . . . . . 17 R N . 27866 2 17 . 1 1 23 23 THR H H 1 7.708000 . . 1 . . . . . 21 T HN . 27866 2 18 . 1 1 23 23 THR N N 15 119.500000 . . 1 . . . . . 21 T N . 27866 2 19 . 1 1 24 24 ARG H H 1 8.679000 . . 1 . . . . . 22 R HN . 27866 2 20 . 1 1 24 24 ARG N N 15 125.599998 . . 1 . . . . . 22 R N . 27866 2 21 . 1 1 25 25 GLU H H 1 9.051000 . . 1 . . . . . 23 E HN . 27866 2 22 . 1 1 25 25 GLU N N 15 122.900002 . . 1 . . . . . 23 E N . 27866 2 23 . 1 1 26 26 MET H H 1 8.810000 . . 1 . . . . . 24 M HN . 27866 2 24 . 1 1 26 26 MET N N 15 125.599998 . . 1 . . . . . 24 M N . 27866 2 25 . 1 1 27 27 VAL H H 1 9.284000 . . 1 . . . . . 25 V HN . 27866 2 26 . 1 1 27 27 VAL N N 15 126.699997 . . 1 . . . . . 25 V N . 27866 2 27 . 1 1 29 29 LEU H H 1 7.977000 . . 1 . . . . . 27 L HN . 27866 2 28 . 1 1 29 29 LEU N N 15 123.500000 . . 1 . . . . . 27 L N . 27866 2 29 . 1 1 30 30 ILE H H 1 7.971000 . . 1 . . . . . 28 I HN . 27866 2 30 . 1 1 30 30 ILE N N 15 125.099998 . . 1 . . . . . 28 I N . 27866 2 31 . 1 1 35 35 MET H H 1 7.649000 . . 1 . . . . . 33 M HN . 27866 2 32 . 1 1 35 35 MET N N 15 120.099998 . . 1 . . . . . 33 M N . 27866 2 33 . 1 1 36 36 LEU H H 1 8.634000 . . 1 . . . . . 34 L HN . 27866 2 34 . 1 1 36 36 LEU N N 15 119.300003 . . 1 . . . . . 34 L N . 27866 2 35 . 1 1 37 37 ASP H H 1 7.863000 . . 1 . . . . . 35 D HN . 27866 2 36 . 1 1 37 37 ASP N N 15 119.300003 . . 1 . . . . . 35 D N . 27866 2 37 . 1 1 38 38 MET H H 1 8.135000 . . 1 . . . . . 36 M HN . 27866 2 38 . 1 1 38 38 MET N N 15 119.500000 . . 1 . . . . . 36 M N . 27866 2 39 . 1 1 39 39 LEU H H 1 8.220000 . . 1 . . . . . 37 L HN . 27866 2 40 . 1 1 39 39 LEU N N 15 121.800003 . . 1 . . . . . 37 L N . 27866 2 41 . 1 1 40 40 MET H H 1 8.561000 . . 1 . . . . . 38 M HN . 27866 2 42 . 1 1 40 40 MET N N 15 117.599998 . . 1 . . . . . 38 M N . 27866 2 43 . 1 1 41 41 GLU H H 1 7.940000 . . 1 . . . . . 39 E HN . 27866 2 44 . 1 1 41 41 GLU N N 15 120.000000 . . 1 . . . . . 39 E N . 27866 2 45 . 1 1 42 42 ARG H H 1 7.863000 . . 1 . . . . . 40 R HN . 27866 2 46 . 1 1 42 42 ARG N N 15 119.300003 . . 1 . . . . . 40 R N . 27866 2 47 . 1 1 43 43 ALA H H 1 8.593000 . . 1 . . . . . 41 A HN . 27866 2 48 . 1 1 43 43 ALA N N 15 121.800003 . . 1 . . . . . 41 A N . 27866 2 49 . 1 1 44 44 ARG H H 1 8.297000 . . 1 . . . . . 42 R HN . 27866 2 50 . 1 1 44 44 ARG N N 15 117.500000 . . 1 . . . . . 42 R N . 27866 2 51 . 1 1 45 45 GLN H H 1 7.702000 . . 1 . . . . . 43 Q HN . 27866 2 52 . 1 1 45 45 GLN N N 15 117.400002 . . 1 . . . . . 43 Q N . 27866 2 53 . 1 1 46 46 ILE H H 1 7.920000 . . 1 . . . . . 44 I HN . 27866 2 54 . 1 1 46 46 ILE N N 15 121.400002 . . 1 . . . . . 44 I N . 27866 2 55 . 1 1 47 47 VAL H H 1 7.848000 . . 1 . . . . . 45 V HN . 27866 2 56 . 1 1 47 47 VAL N N 15 118.400002 . . 1 . . . . . 45 V N . 27866 2 57 . 1 1 48 48 GLN H H 1 8.477000 . . 1 . . . . . 46 Q HN . 27866 2 58 . 1 1 48 48 GLN N N 15 118.699997 . . 1 . . . . . 46 Q N . 27866 2 59 . 1 1 49 49 GLY H H 1 7.895000 . . 1 . . . . . 47 G HN . 27866 2 60 . 1 1 49 49 GLY N N 15 107.500000 . . 1 . . . . . 47 G N . 27866 2 61 . 1 1 50 50 PHE H H 1 7.848000 . . 1 . . . . . 48 F HN . 27866 2 62 . 1 1 50 50 PHE N N 15 118.400002 . . 1 . . . . . 48 F N . 27866 2 63 . 1 1 51 51 GLY H H 1 7.895000 . . 1 . . . . . 49 G HN . 27866 2 64 . 1 1 51 51 GLY N N 15 107.500000 . . 1 . . . . . 49 G N . 27866 2 65 . 1 1 55 55 THR H H 1 7.652000 . . 1 . . . . . 53 T HN . 27866 2 66 . 1 1 55 55 THR N N 15 107.000000 . . 1 . . . . . 53 T N . 27866 2 67 . 1 1 56 56 ARG H H 1 8.193000 . . 1 . . . . . 54 R HN . 27866 2 68 . 1 1 56 56 ARG N N 15 123.199997 . . 1 . . . . . 54 R N . 27866 2 69 . 1 1 57 57 ASN H H 1 8.670000 . . 1 . . . . . 55 N HN . 27866 2 70 . 1 1 57 57 ASN N N 15 116.900002 . . 1 . . . . . 55 N N . 27866 2 71 . 1 1 58 58 MET H H 1 7.163000 . . 1 . . . . . 56 M HN . 27866 2 72 . 1 1 58 58 MET N N 15 119.599998 . . 1 . . . . . 56 M N . 27866 2 73 . 1 1 59 59 TYR H H 1 9.160000 . . 1 . . . . . 57 Y HN . 27866 2 74 . 1 1 59 59 TYR N N 15 126.400002 . . 1 . . . . . 57 Y N . 27866 2 75 . 1 1 60 60 LEU H H 1 8.663000 . . 1 . . . . . 58 L HN . 27866 2 76 . 1 1 60 60 LEU N N 15 117.900002 . . 1 . . . . . 58 L N . 27866 2 77 . 1 1 61 61 PHE H H 1 9.436000 . . 1 . . . . . 59 F HN . 27866 2 78 . 1 1 61 61 PHE N N 15 120.099998 . . 1 . . . . . 59 F N . 27866 2 79 . 1 1 67 67 SER H H 1 7.836000 . . 1 . . . . . 65 S HN . 27866 2 80 . 1 1 67 67 SER N N 15 115.199997 . . 1 . . . . . 65 S N . 27866 2 81 . 1 1 74 74 ILE H H 1 8.528000 . . 1 . . . . . 72 I HN . 27866 2 82 . 1 1 74 74 ILE N N 15 121.099998 . . 1 . . . . . 72 I N . 27866 2 83 . 1 1 80 80 ILE H H 1 7.593000 . . 1 . . . . . 78 I HN . 27866 2 84 . 1 1 80 80 ILE N N 15 119.199997 . . 1 . . . . . 78 I N . 27866 2 85 . 1 1 81 81 THR H H 1 7.474000 . . 1 . . . . . 79 T HN . 27866 2 86 . 1 1 81 81 THR N N 15 117.500000 . . 1 . . . . . 79 T N . 27866 2 87 . 1 1 83 83 GLY H H 1 9.074000 . . 1 . . . . . 81 G HN . 27866 2 88 . 1 1 83 83 GLY N N 15 115.300003 . . 1 . . . . . 81 G N . 27866 2 89 . 1 1 84 84 SER H H 1 7.700000 . . 1 . . . . . 82 S HN . 27866 2 90 . 1 1 84 84 SER N N 15 115.300003 . . 1 . . . . . 82 S N . 27866 2 91 . 1 1 86 86 LEU H H 1 9.229000 . . 1 . . . . . 84 L HN . 27866 2 92 . 1 1 86 86 LEU N N 15 126.900002 . . 1 . . . . . 84 L N . 27866 2 93 . 1 1 88 88 ILE H H 1 9.166000 . . 1 . . . . . 86 I HN . 27866 2 94 . 1 1 88 88 ILE N N 15 125.099998 . . 1 . . . . . 86 I N . 27866 2 95 . 1 1 89 89 ILE H H 1 8.793000 . . 1 . . . . . 87 I HN . 27866 2 96 . 1 1 89 89 ILE N N 15 127.699997 . . 1 . . . . . 87 I N . 27866 2 97 . 1 1 90 90 LEU H H 1 8.859000 . . 1 . . . . . 88 L HN . 27866 2 98 . 1 1 90 90 LEU N N 15 128.600006 . . 1 . . . . . 88 L N . 27866 2 99 . 1 1 91 91 VAL H H 1 8.304000 . . 1 . . . . . 89 V HN . 27866 2 100 . 1 1 91 91 VAL N N 15 123.900002 . . 1 . . . . . 89 V N . 27866 2 101 . 1 1 93 93 ARG H H 1 8.143000 . . 1 . . . . . 91 R HN . 27866 2 102 . 1 1 93 93 ARG N N 15 121.800003 . . 1 . . . . . 91 R N . 27866 2 stop_ save_