data_27079 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27079 _Entry.Title ; Backbone Resonance Assignment of the BCL6-BTB/POZ Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-20 _Entry.Accession_date 2017-04-20 _Entry.Last_release_date 2017-04-20 _Entry.Original_release_date 2017-04-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Frederick Muskett . W. . . 27079 2 Li-Ying Lin . . . . 27079 3 Simon Wagner . D. . . 27079 4 John Schwabe . W.R. . . 27079 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27079 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 228 27079 '15N chemical shifts' 217 27079 '1H chemical shifts' 215 27079 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 . . 2018-04-10 2017-04-20 update BMRB 'update entry citation' 27079 1 . . 2017-10-04 2017-04-20 original author 'original release' 27079 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4CP3 'Crystal Strucutre' 27079 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27079 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28929458 _Citation.Full_citation . _Citation.Title ; Backbone resonance assignment of the BCL6-BTB/POZ domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 47 _Citation.Page_last 50 _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 Li-Ying Lin L. Y. . . 27079 1 2 S Evans S. E. . . 27079 1 3 L Fairall L. . . . 27079 1 4 John Schwabe . . . . 27079 1 5 Simon Wagner S. D. . . 27079 1 6 Frederick Muskett F. W. . . 27079 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27079 _Assembly.ID 1 _Assembly.Name bcl6 _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 bcl6 1 $bl6 A . yes native no no . . . 27079 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bl6 _Entity.Sf_category entity _Entity.Sf_framecode bl6 _Entity.Entry_ID 27079 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name bl6 _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 ; GASQIQFTRHASDVLLNLNR LRSRDILTDVVIVVSREQFR AHKTVLMACSGLFYSIFTDQ LKRNLSVINLDPEINPEGFN ILLDFMYTSRLNLREGNIMA VMATAMYLQMEHVVDTCRKF IKAS ; _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 124 _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_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 5 GLY . 27079 1 2 6 ALA . 27079 1 3 7 SER . 27079 1 4 8 GLN . 27079 1 5 9 ILE . 27079 1 6 10 GLN . 27079 1 7 11 PHE . 27079 1 8 12 THR . 27079 1 9 13 ARG . 27079 1 10 14 HIS . 27079 1 11 15 ALA . 27079 1 12 16 SER . 27079 1 13 17 ASP . 27079 1 14 18 VAL . 27079 1 15 19 LEU . 27079 1 16 20 LEU . 27079 1 17 21 ASN . 27079 1 18 22 LEU . 27079 1 19 23 ASN . 27079 1 20 24 ARG . 27079 1 21 25 LEU . 27079 1 22 26 ARG . 27079 1 23 27 SER . 27079 1 24 28 ARG . 27079 1 25 29 ASP . 27079 1 26 30 ILE . 27079 1 27 31 LEU . 27079 1 28 32 THR . 27079 1 29 33 ASP . 27079 1 30 34 VAL . 27079 1 31 35 VAL . 27079 1 32 36 ILE . 27079 1 33 37 VAL . 27079 1 34 38 VAL . 27079 1 35 39 SER . 27079 1 36 40 ARG . 27079 1 37 41 GLU . 27079 1 38 42 GLN . 27079 1 39 43 PHE . 27079 1 40 44 ARG . 27079 1 41 45 ALA . 27079 1 42 46 HIS . 27079 1 43 47 LYS . 27079 1 44 48 THR . 27079 1 45 49 VAL . 27079 1 46 50 LEU . 27079 1 47 51 MET . 27079 1 48 52 ALA . 27079 1 49 53 CYS . 27079 1 50 54 SER . 27079 1 51 55 GLY . 27079 1 52 56 LEU . 27079 1 53 57 PHE . 27079 1 54 58 TYR . 27079 1 55 59 SER . 27079 1 56 60 ILE . 27079 1 57 61 PHE . 27079 1 58 62 THR . 27079 1 59 63 ASP . 27079 1 60 64 GLN . 27079 1 61 65 LEU . 27079 1 62 66 LYS . 27079 1 63 67 ARG . 27079 1 64 68 ASN . 27079 1 65 69 LEU . 27079 1 66 70 SER . 27079 1 67 71 VAL . 27079 1 68 72 ILE . 27079 1 69 73 ASN . 27079 1 70 74 LEU . 27079 1 71 75 ASP . 27079 1 72 76 PRO . 27079 1 73 77 GLU . 27079 1 74 78 ILE . 27079 1 75 79 ASN . 27079 1 76 80 PRO . 27079 1 77 81 GLU . 27079 1 78 82 GLY . 27079 1 79 83 PHE . 27079 1 80 84 ASN . 27079 1 81 85 ILE . 27079 1 82 86 LEU . 27079 1 83 87 LEU . 27079 1 84 88 ASP . 27079 1 85 89 PHE . 27079 1 86 90 MET . 27079 1 87 91 TYR . 27079 1 88 92 THR . 27079 1 89 93 SER . 27079 1 90 94 ARG . 27079 1 91 95 LEU . 27079 1 92 96 ASN . 27079 1 93 97 LEU . 27079 1 94 98 ARG . 27079 1 95 99 GLU . 27079 1 96 100 GLY . 27079 1 97 101 ASN . 27079 1 98 102 ILE . 27079 1 99 103 MET . 27079 1 100 104 ALA . 27079 1 101 105 VAL . 27079 1 102 106 MET . 27079 1 103 107 ALA . 27079 1 104 108 THR . 27079 1 105 109 ALA . 27079 1 106 110 MET . 27079 1 107 111 TYR . 27079 1 108 112 LEU . 27079 1 109 113 GLN . 27079 1 110 114 MET . 27079 1 111 115 GLU . 27079 1 112 116 HIS . 27079 1 113 117 VAL . 27079 1 114 118 VAL . 27079 1 115 119 ASP . 27079 1 116 120 THR . 27079 1 117 121 CYS . 27079 1 118 122 ARG . 27079 1 119 123 LYS . 27079 1 120 124 PHE . 27079 1 121 125 ILE . 27079 1 122 126 LYS . 27079 1 123 127 ALA . 27079 1 124 128 SER . 27079 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 27079 1 . ALA 2 2 27079 1 . SER 3 3 27079 1 . GLN 4 4 27079 1 . ILE 5 5 27079 1 . GLN 6 6 27079 1 . PHE 7 7 27079 1 . THR 8 8 27079 1 . ARG 9 9 27079 1 . HIS 10 10 27079 1 . ALA 11 11 27079 1 . SER 12 12 27079 1 . ASP 13 13 27079 1 . VAL 14 14 27079 1 . LEU 15 15 27079 1 . LEU 16 16 27079 1 . ASN 17 17 27079 1 . LEU 18 18 27079 1 . ASN 19 19 27079 1 . ARG 20 20 27079 1 . LEU 21 21 27079 1 . ARG 22 22 27079 1 . SER 23 23 27079 1 . ARG 24 24 27079 1 . ASP 25 25 27079 1 . ILE 26 26 27079 1 . LEU 27 27 27079 1 . THR 28 28 27079 1 . ASP 29 29 27079 1 . VAL 30 30 27079 1 . VAL 31 31 27079 1 . ILE 32 32 27079 1 . VAL 33 33 27079 1 . VAL 34 34 27079 1 . SER 35 35 27079 1 . ARG 36 36 27079 1 . GLU 37 37 27079 1 . GLN 38 38 27079 1 . PHE 39 39 27079 1 . ARG 40 40 27079 1 . ALA 41 41 27079 1 . HIS 42 42 27079 1 . LYS 43 43 27079 1 . THR 44 44 27079 1 . VAL 45 45 27079 1 . LEU 46 46 27079 1 . MET 47 47 27079 1 . ALA 48 48 27079 1 . CYS 49 49 27079 1 . SER 50 50 27079 1 . GLY 51 51 27079 1 . LEU 52 52 27079 1 . PHE 53 53 27079 1 . TYR 54 54 27079 1 . SER 55 55 27079 1 . ILE 56 56 27079 1 . PHE 57 57 27079 1 . THR 58 58 27079 1 . ASP 59 59 27079 1 . GLN 60 60 27079 1 . LEU 61 61 27079 1 . LYS 62 62 27079 1 . ARG 63 63 27079 1 . ASN 64 64 27079 1 . LEU 65 65 27079 1 . SER 66 66 27079 1 . VAL 67 67 27079 1 . ILE 68 68 27079 1 . ASN 69 69 27079 1 . LEU 70 70 27079 1 . ASP 71 71 27079 1 . PRO 72 72 27079 1 . GLU 73 73 27079 1 . ILE 74 74 27079 1 . ASN 75 75 27079 1 . PRO 76 76 27079 1 . GLU 77 77 27079 1 . GLY 78 78 27079 1 . PHE 79 79 27079 1 . ASN 80 80 27079 1 . ILE 81 81 27079 1 . LEU 82 82 27079 1 . LEU 83 83 27079 1 . ASP 84 84 27079 1 . PHE 85 85 27079 1 . MET 86 86 27079 1 . TYR 87 87 27079 1 . THR 88 88 27079 1 . SER 89 89 27079 1 . ARG 90 90 27079 1 . LEU 91 91 27079 1 . ASN 92 92 27079 1 . LEU 93 93 27079 1 . ARG 94 94 27079 1 . GLU 95 95 27079 1 . GLY 96 96 27079 1 . ASN 97 97 27079 1 . ILE 98 98 27079 1 . MET 99 99 27079 1 . ALA 100 100 27079 1 . VAL 101 101 27079 1 . MET 102 102 27079 1 . ALA 103 103 27079 1 . THR 104 104 27079 1 . ALA 105 105 27079 1 . MET 106 106 27079 1 . TYR 107 107 27079 1 . LEU 108 108 27079 1 . GLN 109 109 27079 1 . MET 110 110 27079 1 . GLU 111 111 27079 1 . HIS 112 112 27079 1 . VAL 113 113 27079 1 . VAL 114 114 27079 1 . ASP 115 115 27079 1 . THR 116 116 27079 1 . CYS 117 117 27079 1 . ARG 118 118 27079 1 . LYS 119 119 27079 1 . PHE 120 120 27079 1 . ILE 121 121 27079 1 . LYS 122 122 27079 1 . ALA 123 123 27079 1 . SER 124 124 27079 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 27079 _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 $bl6 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27079 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 27079 _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 $bl6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21a . . . 27079 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27079 _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 bl6 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $bl6 . . 200 . . uM . . . . 27079 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27079 1 3 L-Arginine 'natural abundance' . . . . . . 50 . . mM . . . . 27079 1 4 'L-Glutamic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 27079 1 5 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 27079 1 6 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 27079 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27079 _Sample.ID 2 _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 bl6 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $bl6 . . 200 . . uM . . . . 27079 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27079 2 3 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 27079 2 4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 27079 2 5 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 27079 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 27079 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 27079 1 pH 6.8 . pH 27079 1 pressure 1 . atm 27079 1 temperature 298 . K 27079 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 27079 _Sample_condition_list.ID 2 _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' 400 . mM 27079 2 pH 6.8 . pH 27079 2 pressure 1 . atm 27079 2 temperature 298 . K 27079 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27079 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27079 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27079 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27079 _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' . . 27079 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27079 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27079 _Software.ID 3 _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' . . 27079 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27079 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 27079 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27079 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 27079 _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 . 800 . . . 27079 1 2 spectrometer_2 Bruker Avance . 600 . . . 27079 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 27079 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27079 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27079 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27079 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27079 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27079 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 27079 _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 . . . . . 27079 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27079 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27079 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 27079 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27079 1 2 '3D HNCACB' . . . 27079 1 3 '3D CBCA(CO)NH' . . . 27079 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 3 3 SER H H 1 8.332 0.020 . 1 . . . . . 7 SER H . 27079 1 2 . 1 1 3 3 SER CA C 13 57.779 0.400 . 1 . . . . . 7 SER CA . 27079 1 3 . 1 1 3 3 SER CB C 13 64.181 0.400 . 1 . . . . . 7 SER CB . 27079 1 4 . 1 1 3 3 SER N N 15 116.594 0.400 . 1 . . . . . 7 SER N . 27079 1 5 . 1 1 4 4 GLN H H 1 8.186 0.020 . 1 . . . . . 8 GLN H . 27079 1 6 . 1 1 4 4 GLN CA C 13 54.923 0.400 . 1 . . . . . 8 GLN CA . 27079 1 7 . 1 1 4 4 GLN CB C 13 29.794 0.400 . 1 . . . . . 8 GLN CB . 27079 1 8 . 1 1 4 4 GLN N N 15 122.380 0.400 . 1 . . . . . 8 GLN N . 27079 1 9 . 1 1 5 5 ILE H H 1 8.504 0.020 . 1 . . . . . 9 ILE H . 27079 1 10 . 1 1 5 5 ILE CA C 13 60.178 0.400 . 1 . . . . . 9 ILE CA . 27079 1 11 . 1 1 5 5 ILE CB C 13 39.000 0.400 . 1 . . . . . 9 ILE CB . 27079 1 12 . 1 1 5 5 ILE N N 15 126.171 0.400 . 1 . . . . . 9 ILE N . 27079 1 13 . 1 1 6 6 GLN H H 1 8.711 0.020 . 1 . . . . . 10 GLN H . 27079 1 14 . 1 1 6 6 GLN CA C 13 54.560 0.400 . 1 . . . . . 10 GLN CA . 27079 1 15 . 1 1 6 6 GLN CB C 13 28.790 0.400 . 1 . . . . . 10 GLN CB . 27079 1 16 . 1 1 6 6 GLN N N 15 127.471 0.400 . 1 . . . . . 10 GLN N . 27079 1 17 . 1 1 7 7 PHE H H 1 8.817 0.020 . 1 . . . . . 11 PHE H . 27079 1 18 . 1 1 7 7 PHE CA C 13 56.482 0.400 . 1 . . . . . 11 PHE CA . 27079 1 19 . 1 1 7 7 PHE CB C 13 37.981 0.400 . 1 . . . . . 11 PHE CB . 27079 1 20 . 1 1 7 7 PHE N N 15 127.687 0.400 . 1 . . . . . 11 PHE N . 27079 1 21 . 1 1 8 8 THR N N 15 118.689 0.400 . 1 . . . . . 12 THR N . 27079 1 22 . 1 1 9 9 ARG CA C 13 55.468 0.400 . 1 . . . . . 13 ARG CA . 27079 1 23 . 1 1 9 9 ARG CB C 13 29.591 0.400 . 1 . . . . . 13 ARG CB . 27079 1 24 . 1 1 10 10 HIS H H 1 7.311 0.020 . 1 . . . . . 14 HIS H . 27079 1 25 . 1 1 10 10 HIS CA C 13 60.146 0.400 . 1 . . . . . 14 HIS CA . 27079 1 26 . 1 1 10 10 HIS CB C 13 30.801 0.400 . 1 . . . . . 14 HIS CB . 27079 1 27 . 1 1 10 10 HIS N N 15 119.939 0.400 . 1 . . . . . 14 HIS N . 27079 1 28 . 1 1 11 11 ALA H H 1 8.871 0.020 . 1 . . . . . 15 ALA H . 27079 1 29 . 1 1 11 11 ALA CA C 13 55.264 0.400 . 1 . . . . . 15 ALA CA . 27079 1 30 . 1 1 11 11 ALA CB C 13 15.617 0.400 . 1 . . . . . 15 ALA CB . 27079 1 31 . 1 1 11 11 ALA N N 15 119.860 0.400 . 1 . . . . . 15 ALA N . 27079 1 32 . 1 1 12 12 SER H H 1 7.984 0.020 . 1 . . . . . 16 SER H . 27079 1 33 . 1 1 12 12 SER CA C 13 61.366 0.400 . 1 . . . . . 16 SER CA . 27079 1 34 . 1 1 12 12 SER CB C 13 62.043 0.400 . 1 . . . . . 16 SER CB . 27079 1 35 . 1 1 12 12 SER N N 15 114.063 0.400 . 1 . . . . . 16 SER N . 27079 1 36 . 1 1 13 13 ASP CA C 13 57.066 0.400 . 1 . . . . . 17 ASP CA . 27079 1 37 . 1 1 13 13 ASP CB C 13 39.245 0.400 . 1 . . . . . 17 ASP CB . 27079 1 38 . 1 1 13 13 ASP N N 15 125.839 0.400 . 1 . . . . . 17 ASP N . 27079 1 39 . 1 1 14 14 VAL H H 1 8.365 0.020 . 1 . . . . . 18 VAL H . 27079 1 40 . 1 1 14 14 VAL CA C 13 66.580 0.400 . 1 . . . . . 18 VAL CA . 27079 1 41 . 1 1 14 14 VAL CB C 13 30.285 0.400 . 1 . . . . . 18 VAL CB . 27079 1 42 . 1 1 14 14 VAL N N 15 122.314 0.400 . 1 . . . . . 18 VAL N . 27079 1 43 . 1 1 15 15 LEU H H 1 7.711 0.020 . 1 . . . . . 19 LEU H . 27079 1 44 . 1 1 15 15 LEU CA C 13 57.963 0.400 . 1 . . . . . 19 LEU CA . 27079 1 45 . 1 1 15 15 LEU CB C 13 40.835 0.400 . 1 . . . . . 19 LEU CB . 27079 1 46 . 1 1 15 15 LEU N N 15 121.072 0.400 . 1 . . . . . 19 LEU N . 27079 1 47 . 1 1 16 16 LEU H H 1 7.955 0.020 . 1 . . . . . 20 LEU H . 27079 1 48 . 1 1 16 16 LEU CA C 13 57.347 0.400 . 1 . . . . . 20 LEU CA . 27079 1 49 . 1 1 16 16 LEU CB C 13 40.797 0.400 . 1 . . . . . 20 LEU CB . 27079 1 50 . 1 1 16 16 LEU N N 15 119.455 0.400 . 1 . . . . . 20 LEU N . 27079 1 51 . 1 1 17 17 ASN H H 1 7.981 0.020 . 1 . . . . . 21 ASN H . 27079 1 52 . 1 1 17 17 ASN CA C 13 55.524 0.400 . 1 . . . . . 21 ASN CA . 27079 1 53 . 1 1 17 17 ASN CB C 13 37.688 0.400 . 1 . . . . . 21 ASN CB . 27079 1 54 . 1 1 17 17 ASN N N 15 119.570 0.400 . 1 . . . . . 21 ASN N . 27079 1 55 . 1 1 18 18 LEU H H 1 8.992 0.020 . 1 . . . . . 22 LEU H . 27079 1 56 . 1 1 18 18 LEU CA C 13 58.222 0.400 . 1 . . . . . 22 LEU CA . 27079 1 57 . 1 1 18 18 LEU CB C 13 39.670 0.400 . 1 . . . . . 22 LEU CB . 27079 1 58 . 1 1 18 18 LEU N N 15 124.414 0.400 . 1 . . . . . 22 LEU N . 27079 1 59 . 1 1 19 19 ASN H H 1 8.950 0.020 . 1 . . . . . 23 ASN H . 27079 1 60 . 1 1 19 19 ASN CA C 13 55.956 0.400 . 1 . . . . . 23 ASN CA . 27079 1 61 . 1 1 19 19 ASN CB C 13 37.535 0.400 . 1 . . . . . 23 ASN CB . 27079 1 62 . 1 1 19 19 ASN N N 15 119.177 0.400 . 1 . . . . . 23 ASN N . 27079 1 63 . 1 1 20 20 ARG H H 1 8.199 0.020 . 1 . . . . . 24 ARG H . 27079 1 64 . 1 1 20 20 ARG CA C 13 59.411 0.400 . 1 . . . . . 24 ARG CA . 27079 1 65 . 1 1 20 20 ARG CB C 13 28.946 0.400 . 1 . . . . . 24 ARG CB . 27079 1 66 . 1 1 20 20 ARG N N 15 121.904 0.400 . 1 . . . . . 24 ARG N . 27079 1 67 . 1 1 21 21 LEU H H 1 8.153 0.020 . 1 . . . . . 25 LEU H . 27079 1 68 . 1 1 21 21 LEU CA C 13 58.084 0.400 . 1 . . . . . 25 LEU CA . 27079 1 69 . 1 1 21 21 LEU CB C 13 39.170 0.400 . 1 . . . . . 25 LEU CB . 27079 1 70 . 1 1 21 21 LEU N N 15 118.675 0.400 . 1 . . . . . 25 LEU N . 27079 1 71 . 1 1 22 22 ARG H H 1 8.302 0.020 . 1 . . . . . 26 ARG H . 27079 1 72 . 1 1 22 22 ARG CA C 13 59.980 0.400 . 1 . . . . . 26 ARG CA . 27079 1 73 . 1 1 22 22 ARG CB C 13 28.726 0.400 . 1 . . . . . 26 ARG CB . 27079 1 74 . 1 1 22 22 ARG N N 15 120.056 0.400 . 1 . . . . . 26 ARG N . 27079 1 75 . 1 1 23 23 SER H H 1 8.576 0.020 . 1 . . . . . 27 SER H . 27079 1 76 . 1 1 23 23 SER CA C 13 61.238 0.400 . 1 . . . . . 27 SER CA . 27079 1 77 . 1 1 23 23 SER CB C 13 62.742 0.400 . 1 . . . . . 27 SER CB . 27079 1 78 . 1 1 23 23 SER N N 15 117.609 0.400 . 1 . . . . . 27 SER N . 27079 1 79 . 1 1 24 24 ARG H H 1 7.332 0.020 . 1 . . . . . 28 ARG H . 27079 1 80 . 1 1 24 24 ARG CA C 13 55.177 0.400 . 1 . . . . . 28 ARG CA . 27079 1 81 . 1 1 24 24 ARG CB C 13 30.204 0.400 . 1 . . . . . 28 ARG CB . 27079 1 82 . 1 1 24 24 ARG N N 15 119.148 0.400 . 1 . . . . . 28 ARG N . 27079 1 83 . 1 1 25 25 ASP H H 1 8.032 0.020 . 1 . . . . . 29 ASP H . 27079 1 84 . 1 1 25 25 ASP CA C 13 55.058 0.400 . 1 . . . . . 29 ASP CA . 27079 1 85 . 1 1 25 25 ASP CB C 13 39.836 0.400 . 1 . . . . . 29 ASP CB . 27079 1 86 . 1 1 25 25 ASP N N 15 122.120 0.400 . 1 . . . . . 29 ASP N . 27079 1 87 . 1 1 26 26 ILE H H 1 8.483 0.020 . 1 . . . . . 30 ILE H . 27079 1 88 . 1 1 26 26 ILE CA C 13 61.507 0.400 . 1 . . . . . 30 ILE CA . 27079 1 89 . 1 1 26 26 ILE CB C 13 37.089 0.400 . 1 . . . . . 30 ILE CB . 27079 1 90 . 1 1 26 26 ILE N N 15 119.588 0.400 . 1 . . . . . 30 ILE N . 27079 1 91 . 1 1 27 27 LEU H H 1 9.017 0.020 . 1 . . . . . 31 LEU H . 27079 1 92 . 1 1 27 27 LEU CA C 13 55.870 0.400 . 1 . . . . . 31 LEU CA . 27079 1 93 . 1 1 27 27 LEU CB C 13 37.937 0.400 . 1 . . . . . 31 LEU CB . 27079 1 94 . 1 1 27 27 LEU N N 15 124.333 0.400 . 1 . . . . . 31 LEU N . 27079 1 95 . 1 1 28 28 THR H H 1 6.985 0.020 . 1 . . . . . 32 THR H . 27079 1 96 . 1 1 28 28 THR CA C 13 61.783 0.400 . 1 . . . . . 32 THR CA . 27079 1 97 . 1 1 28 28 THR CB C 13 67.029 0.400 . 1 . . . . . 32 THR CB . 27079 1 98 . 1 1 28 28 THR N N 15 109.778 0.400 . 1 . . . . . 32 THR N . 27079 1 99 . 1 1 29 29 ASP H H 1 8.591 0.020 . 1 . . . . . 33 ASP H . 27079 1 100 . 1 1 29 29 ASP CA C 13 52.254 0.400 . 1 . . . . . 33 ASP CA . 27079 1 101 . 1 1 29 29 ASP CB C 13 40.172 0.400 . 1 . . . . . 33 ASP CB . 27079 1 102 . 1 1 29 29 ASP N N 15 124.164 0.400 . 1 . . . . . 33 ASP N . 27079 1 103 . 1 1 30 30 VAL H H 1 7.758 0.020 . 1 . . . . . 34 VAL H . 27079 1 104 . 1 1 30 30 VAL CA C 13 59.418 0.400 . 1 . . . . . 34 VAL CA . 27079 1 105 . 1 1 30 30 VAL CB C 13 33.632 0.400 . 1 . . . . . 34 VAL CB . 27079 1 106 . 1 1 30 30 VAL N N 15 118.171 0.400 . 1 . . . . . 34 VAL N . 27079 1 107 . 1 1 31 31 VAL H H 1 7.907 0.020 . 1 . . . . . 35 VAL H . 27079 1 108 . 1 1 31 31 VAL CA C 13 59.504 0.400 . 1 . . . . . 35 VAL CA . 27079 1 109 . 1 1 31 31 VAL CB C 13 33.454 0.400 . 1 . . . . . 35 VAL CB . 27079 1 110 . 1 1 31 31 VAL N N 15 127.147 0.400 . 1 . . . . . 35 VAL N . 27079 1 111 . 1 1 32 32 ILE CA C 13 57.557 0.400 . 1 . . . . . 36 ILE CA . 27079 1 112 . 1 1 32 32 ILE CB C 13 36.555 0.400 . 1 . . . . . 36 ILE CB . 27079 1 113 . 1 1 33 33 VAL H H 1 9.014 0.020 . 1 . . . . . 37 VAL H . 27079 1 114 . 1 1 33 33 VAL CA C 13 61.204 0.400 . 1 . . . . . 37 VAL CA . 27079 1 115 . 1 1 33 33 VAL CB C 13 31.354 0.400 . 1 . . . . . 37 VAL CB . 27079 1 116 . 1 1 33 33 VAL N N 15 129.526 0.400 . 1 . . . . . 37 VAL N . 27079 1 117 . 1 1 34 34 VAL H H 1 8.785 0.020 . 1 . . . . . 38 VAL H . 27079 1 118 . 1 1 34 34 VAL CA C 13 60.081 0.400 . 1 . . . . . 38 VAL CA . 27079 1 119 . 1 1 34 34 VAL CB C 13 32.193 0.400 . 1 . . . . . 38 VAL CB . 27079 1 120 . 1 1 34 34 VAL N N 15 129.320 0.400 . 1 . . . . . 38 VAL N . 27079 1 121 . 1 1 35 35 SER H H 1 8.927 0.020 . 1 . . . . . 39 SER H . 27079 1 122 . 1 1 35 35 SER CA C 13 59.398 0.400 . 1 . . . . . 39 SER CA . 27079 1 123 . 1 1 35 35 SER CB C 13 60.901 0.400 . 1 . . . . . 39 SER CB . 27079 1 124 . 1 1 35 35 SER N N 15 122.759 0.400 . 1 . . . . . 39 SER N . 27079 1 125 . 1 1 36 36 ARG H H 1 8.133 0.020 . 1 . . . . . 40 ARG H . 27079 1 126 . 1 1 36 36 ARG CA C 13 56.829 0.400 . 1 . . . . . 40 ARG CA . 27079 1 127 . 1 1 36 36 ARG CB C 13 28.640 0.400 . 1 . . . . . 40 ARG CB . 27079 1 128 . 1 1 36 36 ARG N N 15 117.512 0.400 . 1 . . . . . 40 ARG N . 27079 1 129 . 1 1 37 37 GLU H H 1 8.163 0.020 . 1 . . . . . 41 GLU H . 27079 1 130 . 1 1 37 37 GLU CA C 13 55.010 0.400 . 1 . . . . . 41 GLU CA . 27079 1 131 . 1 1 37 37 GLU CB C 13 30.389 0.400 . 1 . . . . . 41 GLU CB . 27079 1 132 . 1 1 37 37 GLU N N 15 122.719 0.400 . 1 . . . . . 41 GLU N . 27079 1 133 . 1 1 38 38 GLN H H 1 7.959 0.020 . 1 . . . . . 42 GLN H . 27079 1 134 . 1 1 38 38 GLN CA C 13 54.066 0.400 . 1 . . . . . 42 GLN CA . 27079 1 135 . 1 1 38 38 GLN CB C 13 30.346 0.400 . 1 . . . . . 42 GLN CB . 27079 1 136 . 1 1 38 38 GLN N N 15 118.559 0.400 . 1 . . . . . 42 GLN N . 27079 1 137 . 1 1 39 39 PHE H H 1 9.057 0.020 . 1 . . . . . 43 PHE H . 27079 1 138 . 1 1 39 39 PHE CA C 13 56.191 0.400 . 1 . . . . . 43 PHE CA . 27079 1 139 . 1 1 39 39 PHE CB C 13 41.557 0.400 . 1 . . . . . 43 PHE CB . 27079 1 140 . 1 1 39 39 PHE N N 15 121.674 0.400 . 1 . . . . . 43 PHE N . 27079 1 141 . 1 1 40 40 ARG H H 1 8.616 0.020 . 1 . . . . . 44 ARG H . 27079 1 142 . 1 1 40 40 ARG CA C 13 55.365 0.400 . 1 . . . . . 44 ARG CA . 27079 1 143 . 1 1 40 40 ARG CB C 13 30.622 0.400 . 1 . . . . . 44 ARG CB . 27079 1 144 . 1 1 40 40 ARG N N 15 123.050 0.400 . 1 . . . . . 44 ARG N . 27079 1 145 . 1 1 41 41 ALA H H 1 8.065 0.020 . 1 . . . . . 45 ALA H . 27079 1 146 . 1 1 41 41 ALA CA C 13 50.477 0.400 . 1 . . . . . 45 ALA CA . 27079 1 147 . 1 1 41 41 ALA CB C 13 21.695 0.400 . 1 . . . . . 45 ALA CB . 27079 1 148 . 1 1 41 41 ALA N N 15 120.303 0.400 . 1 . . . . . 45 ALA N . 27079 1 149 . 1 1 42 42 HIS H H 1 7.162 0.020 . 1 . . . . . 46 HIS H . 27079 1 150 . 1 1 42 42 HIS CA C 13 55.240 0.400 . 1 . . . . . 46 HIS CA . 27079 1 151 . 1 1 42 42 HIS CB C 13 30.361 0.400 . 1 . . . . . 46 HIS CB . 27079 1 152 . 1 1 42 42 HIS N N 15 116.588 0.400 . 1 . . . . . 46 HIS N . 27079 1 153 . 1 1 43 43 LYS H H 1 11.160 0.020 . 1 . . . . . 47 LYS H . 27079 1 154 . 1 1 43 43 LYS CA C 13 61.137 0.400 . 1 . . . . . 47 LYS CA . 27079 1 155 . 1 1 43 43 LYS CB C 13 32.591 0.400 . 1 . . . . . 47 LYS CB . 27079 1 156 . 1 1 43 43 LYS N N 15 130.000 0.400 . 1 . . . . . 47 LYS N . 27079 1 157 . 1 1 44 44 THR H H 1 8.610 0.020 . 1 . . . . . 48 THR H . 27079 1 158 . 1 1 44 44 THR CA C 13 64.672 0.400 . 1 . . . . . 48 THR CA . 27079 1 159 . 1 1 44 44 THR CB C 13 67.171 0.400 . 1 . . . . . 48 THR CB . 27079 1 160 . 1 1 44 44 THR N N 15 106.651 0.400 . 1 . . . . . 48 THR N . 27079 1 161 . 1 1 45 45 VAL H H 1 6.427 0.020 . 1 . . . . . 49 VAL H . 27079 1 162 . 1 1 45 45 VAL CA C 13 66.392 0.400 . 1 . . . . . 49 VAL CA . 27079 1 163 . 1 1 45 45 VAL CB C 13 30.343 0.400 . 1 . . . . . 49 VAL CB . 27079 1 164 . 1 1 45 45 VAL N N 15 119.814 0.400 . 1 . . . . . 49 VAL N . 27079 1 165 . 1 1 46 46 LEU H H 1 7.381 0.020 . 1 . . . . . 50 LEU H . 27079 1 166 . 1 1 46 46 LEU CA C 13 57.970 0.400 . 1 . . . . . 50 LEU CA . 27079 1 167 . 1 1 46 46 LEU CB C 13 39.368 0.400 . 1 . . . . . 50 LEU CB . 27079 1 168 . 1 1 46 46 LEU N N 15 117.747 0.400 . 1 . . . . . 50 LEU N . 27079 1 169 . 1 1 47 47 MET H H 1 8.505 0.020 . 1 . . . . . 51 MET H . 27079 1 170 . 1 1 47 47 MET CA C 13 58.546 0.400 . 1 . . . . . 51 MET CA . 27079 1 171 . 1 1 47 47 MET CB C 13 34.197 0.400 . 1 . . . . . 51 MET CB . 27079 1 172 . 1 1 47 47 MET N N 15 115.775 0.400 . 1 . . . . . 51 MET N . 27079 1 173 . 1 1 48 48 ALA H H 1 7.633 0.020 . 1 . . . . . 52 ALA H . 27079 1 174 . 1 1 48 48 ALA CA C 13 52.827 0.400 . 1 . . . . . 52 ALA CA . 27079 1 175 . 1 1 48 48 ALA CB C 13 18.976 0.400 . 1 . . . . . 52 ALA CB . 27079 1 176 . 1 1 48 48 ALA N N 15 118.933 0.400 . 1 . . . . . 52 ALA N . 27079 1 177 . 1 1 49 49 CYS H H 1 7.191 0.020 . 1 . . . . . 53 CYS H . 27079 1 178 . 1 1 49 49 CYS CA C 13 59.725 0.400 . 1 . . . . . 53 CYS CA . 27079 1 179 . 1 1 49 49 CYS CB C 13 30.261 0.400 . 1 . . . . . 53 CYS CB . 27079 1 180 . 1 1 49 49 CYS N N 15 111.184 0.400 . 1 . . . . . 53 CYS N . 27079 1 181 . 1 1 50 50 SER H H 1 7.784 0.020 . 1 . . . . . 54 SER H . 27079 1 182 . 1 1 50 50 SER CA C 13 55.550 0.400 . 1 . . . . . 54 SER CA . 27079 1 183 . 1 1 50 50 SER CB C 13 64.033 0.400 . 1 . . . . . 54 SER CB . 27079 1 184 . 1 1 50 50 SER N N 15 114.775 0.400 . 1 . . . . . 54 SER N . 27079 1 185 . 1 1 51 51 GLY H H 1 8.578 0.020 . 1 . . . . . 55 GLY H . 27079 1 186 . 1 1 51 51 GLY CA C 13 47.019 0.400 . 1 . . . . . 55 GLY CA . 27079 1 187 . 1 1 51 51 GLY N N 15 118.286 0.400 . 1 . . . . . 55 GLY N . 27079 1 188 . 1 1 52 52 LEU H H 1 7.103 0.020 . 1 . . . . . 56 LEU H . 27079 1 189 . 1 1 52 52 LEU CA C 13 57.141 0.400 . 1 . . . . . 56 LEU CA . 27079 1 190 . 1 1 52 52 LEU CB C 13 40.493 0.400 . 1 . . . . . 56 LEU CB . 27079 1 191 . 1 1 52 52 LEU N N 15 122.351 0.400 . 1 . . . . . 56 LEU N . 27079 1 192 . 1 1 53 53 PHE H H 1 7.371 0.020 . 1 . . . . . 57 PHE H . 27079 1 193 . 1 1 53 53 PHE CA C 13 61.024 0.400 . 1 . . . . . 57 PHE CA . 27079 1 194 . 1 1 53 53 PHE CB C 13 36.513 0.400 . 1 . . . . . 57 PHE CB . 27079 1 195 . 1 1 53 53 PHE N N 15 116.108 0.400 . 1 . . . . . 57 PHE N . 27079 1 196 . 1 1 54 54 TYR H H 1 8.771 0.020 . 1 . . . . . 58 TYR H . 27079 1 197 . 1 1 54 54 TYR CA C 13 62.611 0.400 . 1 . . . . . 58 TYR CA . 27079 1 198 . 1 1 54 54 TYR CB C 13 37.024 0.400 . 1 . . . . . 58 TYR CB . 27079 1 199 . 1 1 54 54 TYR N N 15 121.240 0.400 . 1 . . . . . 58 TYR N . 27079 1 200 . 1 1 55 55 SER H H 1 7.916 0.020 . 1 . . . . . 59 SER H . 27079 1 201 . 1 1 55 55 SER CA C 13 61.529 0.400 . 1 . . . . . 59 SER CA . 27079 1 202 . 1 1 55 55 SER CB C 13 62.770 0.400 . 1 . . . . . 59 SER CB . 27079 1 203 . 1 1 55 55 SER N N 15 116.050 0.400 . 1 . . . . . 59 SER N . 27079 1 204 . 1 1 56 56 ILE H H 1 7.852 0.020 . 1 . . . . . 60 ILE H . 27079 1 205 . 1 1 56 56 ILE CA C 13 65.168 0.400 . 1 . . . . . 60 ILE CA . 27079 1 206 . 1 1 56 56 ILE CB C 13 37.738 0.400 . 1 . . . . . 60 ILE CB . 27079 1 207 . 1 1 56 56 ILE N N 15 122.108 0.400 . 1 . . . . . 60 ILE N . 27079 1 208 . 1 1 57 57 PHE H H 1 7.631 0.020 . 1 . . . . . 61 PHE H . 27079 1 209 . 1 1 57 57 PHE CA C 13 58.442 0.400 . 1 . . . . . 61 PHE CA . 27079 1 210 . 1 1 57 57 PHE CB C 13 37.949 0.400 . 1 . . . . . 61 PHE CB . 27079 1 211 . 1 1 57 57 PHE N N 15 111.498 0.400 . 1 . . . . . 61 PHE N . 27079 1 212 . 1 1 58 58 THR H H 1 7.212 0.020 . 1 . . . . . 62 THR H . 27079 1 213 . 1 1 58 58 THR CA C 13 62.319 0.400 . 1 . . . . . 62 THR CA . 27079 1 214 . 1 1 58 58 THR CB C 13 69.098 0.400 . 1 . . . . . 62 THR CB . 27079 1 215 . 1 1 58 58 THR N N 15 107.503 0.400 . 1 . . . . . 62 THR N . 27079 1 216 . 1 1 59 59 ASP H H 1 7.077 0.020 . 1 . . . . . 63 ASP H . 27079 1 217 . 1 1 59 59 ASP CA C 13 53.972 0.400 . 1 . . . . . 63 ASP CA . 27079 1 218 . 1 1 59 59 ASP CB C 13 41.721 0.400 . 1 . . . . . 63 ASP CB . 27079 1 219 . 1 1 59 59 ASP N N 15 125.460 0.400 . 1 . . . . . 63 ASP N . 27079 1 220 . 1 1 60 60 GLN H H 1 8.935 0.020 . 1 . . . . . 64 GLN H . 27079 1 221 . 1 1 60 60 GLN CA C 13 58.430 0.400 . 1 . . . . . 64 GLN CA . 27079 1 222 . 1 1 60 60 GLN CB C 13 27.785 0.400 . 1 . . . . . 64 GLN CB . 27079 1 223 . 1 1 60 60 GLN N N 15 127.015 0.400 . 1 . . . . . 64 GLN N . 27079 1 224 . 1 1 61 61 LEU H H 1 8.372 0.020 . 1 . . . . . 65 LEU H . 27079 1 225 . 1 1 61 61 LEU CA C 13 55.876 0.400 . 1 . . . . . 65 LEU CA . 27079 1 226 . 1 1 61 61 LEU CB C 13 40.774 0.400 . 1 . . . . . 65 LEU CB . 27079 1 227 . 1 1 61 61 LEU N N 15 118.036 0.400 . 1 . . . . . 65 LEU N . 27079 1 228 . 1 1 62 62 LYS H H 1 8.028 0.020 . 1 . . . . . 66 LYS H . 27079 1 229 . 1 1 62 62 LYS CA C 13 56.523 0.400 . 1 . . . . . 66 LYS CA . 27079 1 230 . 1 1 62 62 LYS CB C 13 32.684 0.400 . 1 . . . . . 66 LYS CB . 27079 1 231 . 1 1 62 62 LYS N N 15 119.421 0.400 . 1 . . . . . 66 LYS N . 27079 1 232 . 1 1 63 63 ARG H H 1 7.713 0.020 . 1 . . . . . 67 ARG H . 27079 1 233 . 1 1 63 63 ARG CA C 13 58.794 0.400 . 1 . . . . . 67 ARG CA . 27079 1 234 . 1 1 63 63 ARG CB C 13 29.579 0.400 . 1 . . . . . 67 ARG CB . 27079 1 235 . 1 1 63 63 ARG N N 15 118.209 0.400 . 1 . . . . . 67 ARG N . 27079 1 236 . 1 1 64 64 ASN H H 1 8.011 0.020 . 1 . . . . . 68 ASN H . 27079 1 237 . 1 1 64 64 ASN CA C 13 52.455 0.400 . 1 . . . . . 68 ASN CA . 27079 1 238 . 1 1 64 64 ASN CB C 13 38.184 0.400 . 1 . . . . . 68 ASN CB . 27079 1 239 . 1 1 64 64 ASN N N 15 114.279 0.400 . 1 . . . . . 68 ASN N . 27079 1 240 . 1 1 65 65 LEU H H 1 7.640 0.020 . 1 . . . . . 69 LEU H . 27079 1 241 . 1 1 65 65 LEU CA C 13 55.504 0.400 . 1 . . . . . 69 LEU CA . 27079 1 242 . 1 1 65 65 LEU CB C 13 41.639 0.400 . 1 . . . . . 69 LEU CB . 27079 1 243 . 1 1 65 65 LEU N N 15 122.449 0.400 . 1 . . . . . 69 LEU N . 27079 1 244 . 1 1 66 66 SER H H 1 8.735 0.020 . 1 . . . . . 70 SER H . 27079 1 245 . 1 1 66 66 SER CA C 13 58.259 0.400 . 1 . . . . . 70 SER CA . 27079 1 246 . 1 1 66 66 SER CB C 13 64.134 0.400 . 1 . . . . . 70 SER CB . 27079 1 247 . 1 1 66 66 SER N N 15 115.917 0.400 . 1 . . . . . 70 SER N . 27079 1 248 . 1 1 67 67 VAL H H 1 7.294 0.020 . 1 . . . . . 71 VAL H . 27079 1 249 . 1 1 67 67 VAL CA C 13 60.442 0.400 . 1 . . . . . 71 VAL CA . 27079 1 250 . 1 1 67 67 VAL CB C 13 34.185 0.400 . 1 . . . . . 71 VAL CB . 27079 1 251 . 1 1 67 67 VAL N N 15 123.642 0.400 . 1 . . . . . 71 VAL N . 27079 1 252 . 1 1 68 68 ILE H H 1 8.774 0.020 . 1 . . . . . 72 ILE H . 27079 1 253 . 1 1 68 68 ILE CA C 13 57.215 0.400 . 1 . . . . . 72 ILE CA . 27079 1 254 . 1 1 68 68 ILE CB C 13 39.072 0.400 . 1 . . . . . 72 ILE CB . 27079 1 255 . 1 1 68 68 ILE N N 15 126.180 0.400 . 1 . . . . . 72 ILE N . 27079 1 256 . 1 1 69 69 ASN H H 1 8.680 0.020 . 1 . . . . . 73 ASN H . 27079 1 257 . 1 1 69 69 ASN CA C 13 51.910 0.400 . 1 . . . . . 73 ASN CA . 27079 1 258 . 1 1 69 69 ASN CB C 13 39.106 0.400 . 1 . . . . . 73 ASN CB . 27079 1 259 . 1 1 69 69 ASN N N 15 125.988 0.400 . 1 . . . . . 73 ASN N . 27079 1 260 . 1 1 70 70 LEU H H 1 8.148 0.020 . 1 . . . . . 74 LEU H . 27079 1 261 . 1 1 70 70 LEU CA C 13 53.090 0.400 . 1 . . . . . 74 LEU CA . 27079 1 262 . 1 1 70 70 LEU CB C 13 39.734 0.400 . 1 . . . . . 74 LEU CB . 27079 1 263 . 1 1 70 70 LEU N N 15 121.660 0.400 . 1 . . . . . 74 LEU N . 27079 1 264 . 1 1 71 71 ASP H H 1 7.060 0.020 . 1 . . . . . 75 ASP H . 27079 1 265 . 1 1 71 71 ASP CA C 13 53.007 0.400 . 1 . . . . . 75 ASP CA . 27079 1 266 . 1 1 71 71 ASP CB C 13 41.001 0.400 . 1 . . . . . 75 ASP CB . 27079 1 267 . 1 1 71 71 ASP N N 15 121.330 0.400 . 1 . . . . . 75 ASP N . 27079 1 268 . 1 1 72 72 PRO CA C 13 62.206 0.400 . 1 . . . . . 76 PRO CA . 27079 1 269 . 1 1 72 72 PRO CB C 13 31.073 0.400 . 1 . . . . . 76 PRO CB . 27079 1 270 . 1 1 73 73 GLU H H 1 8.642 0.020 . 1 . . . . . 77 GLU H . 27079 1 271 . 1 1 73 73 GLU CA C 13 56.544 0.400 . 1 . . . . . 77 GLU CA . 27079 1 272 . 1 1 73 73 GLU CB C 13 28.279 0.400 . 1 . . . . . 77 GLU CB . 27079 1 273 . 1 1 73 73 GLU N N 15 117.725 0.400 . 1 . . . . . 77 GLU N . 27079 1 274 . 1 1 74 74 ILE H H 1 7.403 0.020 . 1 . . . . . 78 ILE H . 27079 1 275 . 1 1 74 74 ILE CA C 13 58.125 0.400 . 1 . . . . . 78 ILE CA . 27079 1 276 . 1 1 74 74 ILE CB C 13 34.001 0.400 . 1 . . . . . 78 ILE CB . 27079 1 277 . 1 1 74 74 ILE N N 15 121.241 0.400 . 1 . . . . . 78 ILE N . 27079 1 278 . 1 1 75 75 ASN H H 1 8.760 0.020 . 1 . . . . . 79 ASN H . 27079 1 279 . 1 1 75 75 ASN CA C 13 50.719 0.400 . 1 . . . . . 79 ASN CA . 27079 1 280 . 1 1 75 75 ASN CB C 13 40.186 0.400 . 1 . . . . . 79 ASN CB . 27079 1 281 . 1 1 75 75 ASN N N 15 128.176 0.400 . 1 . . . . . 79 ASN N . 27079 1 282 . 1 1 76 76 PRO CA C 13 65.570 0.400 . 1 . . . . . 80 PRO CA . 27079 1 283 . 1 1 76 76 PRO CB C 13 31.069 0.400 . 1 . . . . . 80 PRO CB . 27079 1 284 . 1 1 77 77 GLU H H 1 7.975 0.020 . 1 . . . . . 81 GLU H . 27079 1 285 . 1 1 77 77 GLU CA C 13 58.935 0.400 . 1 . . . . . 81 GLU CA . 27079 1 286 . 1 1 77 77 GLU CB C 13 28.235 0.400 . 1 . . . . . 81 GLU CB . 27079 1 287 . 1 1 77 77 GLU N N 15 119.596 0.400 . 1 . . . . . 81 GLU N . 27079 1 288 . 1 1 78 78 GLY H H 1 8.128 0.020 . 1 . . . . . 82 GLY H . 27079 1 289 . 1 1 78 78 GLY CA C 13 46.229 0.400 . 1 . . . . . 82 GLY CA . 27079 1 290 . 1 1 78 78 GLY N N 15 105.765 0.400 . 1 . . . . . 82 GLY N . 27079 1 291 . 1 1 79 79 PHE H H 1 7.928 0.020 . 1 . . . . . 83 PHE H . 27079 1 292 . 1 1 79 79 PHE CA C 13 62.622 0.400 . 1 . . . . . 83 PHE CA . 27079 1 293 . 1 1 79 79 PHE CB C 13 38.374 0.400 . 1 . . . . . 83 PHE CB . 27079 1 294 . 1 1 79 79 PHE N N 15 119.562 0.400 . 1 . . . . . 83 PHE N . 27079 1 295 . 1 1 80 80 ASN H H 1 8.527 0.020 . 1 . . . . . 84 ASN H . 27079 1 296 . 1 1 80 80 ASN CA C 13 56.318 0.400 . 1 . . . . . 84 ASN CA . 27079 1 297 . 1 1 80 80 ASN CB C 13 38.887 0.400 . 1 . . . . . 84 ASN CB . 27079 1 298 . 1 1 80 80 ASN N N 15 118.714 0.400 . 1 . . . . . 84 ASN N . 27079 1 299 . 1 1 81 81 ILE H H 1 7.760 0.020 . 1 . . . . . 85 ILE H . 27079 1 300 . 1 1 81 81 ILE CA C 13 63.456 0.400 . 1 . . . . . 85 ILE CA . 27079 1 301 . 1 1 81 81 ILE CB C 13 37.079 0.400 . 1 . . . . . 85 ILE CB . 27079 1 302 . 1 1 81 81 ILE N N 15 118.330 0.400 . 1 . . . . . 85 ILE N . 27079 1 303 . 1 1 84 84 ASP CA C 13 60.141 0.400 . 1 . . . . . 88 ASP CA . 27079 1 304 . 1 1 84 84 ASP CB C 13 37.344 0.400 . 1 . . . . . 88 ASP CB . 27079 1 305 . 1 1 85 85 PHE H H 1 8.356 0.020 . 1 . . . . . 89 PHE H . 27079 1 306 . 1 1 85 85 PHE CA C 13 59.867 0.400 . 1 . . . . . 89 PHE CA . 27079 1 307 . 1 1 85 85 PHE CB C 13 33.252 0.400 . 1 . . . . . 89 PHE CB . 27079 1 308 . 1 1 85 85 PHE N N 15 120.520 0.400 . 1 . . . . . 89 PHE N . 27079 1 309 . 1 1 86 86 MET H H 1 9.380 0.020 . 1 . . . . . 90 MET H . 27079 1 310 . 1 1 86 86 MET N N 15 127.923 0.400 . 1 . . . . . 90 MET N . 27079 1 311 . 1 1 88 88 THR CA C 13 64.067 0.400 . 1 . . . . . 92 THR CA . 27079 1 312 . 1 1 88 88 THR CB C 13 73.353 0.400 . 1 . . . . . 92 THR CB . 27079 1 313 . 1 1 89 89 SER H H 1 8.638 0.020 . 1 . . . . . 93 SER H . 27079 1 314 . 1 1 89 89 SER CA C 13 60.801 0.400 . 1 . . . . . 93 SER CA . 27079 1 315 . 1 1 89 89 SER CB C 13 63.221 0.400 . 1 . . . . . 93 SER CB . 27079 1 316 . 1 1 89 89 SER N N 15 117.703 0.400 . 1 . . . . . 93 SER N . 27079 1 317 . 1 1 90 90 ARG H H 1 7.917 0.020 . 1 . . . . . 94 ARG H . 27079 1 318 . 1 1 90 90 ARG CA C 13 54.592 0.400 . 1 . . . . . 94 ARG CA . 27079 1 319 . 1 1 90 90 ARG CB C 13 31.002 0.400 . 1 . . . . . 94 ARG CB . 27079 1 320 . 1 1 90 90 ARG N N 15 121.222 0.400 . 1 . . . . . 94 ARG N . 27079 1 321 . 1 1 91 91 LEU H H 1 9.165 0.020 . 1 . . . . . 95 LEU H . 27079 1 322 . 1 1 91 91 LEU CA C 13 52.522 0.400 . 1 . . . . . 95 LEU CA . 27079 1 323 . 1 1 91 91 LEU CB C 13 43.805 0.400 . 1 . . . . . 95 LEU CB . 27079 1 324 . 1 1 91 91 LEU N N 15 127.702 0.400 . 1 . . . . . 95 LEU N . 27079 1 325 . 1 1 92 92 ASN H H 1 8.103 0.020 . 1 . . . . . 96 ASN H . 27079 1 326 . 1 1 92 92 ASN CA C 13 52.514 0.400 . 1 . . . . . 96 ASN CA . 27079 1 327 . 1 1 92 92 ASN CB C 13 37.757 0.400 . 1 . . . . . 96 ASN CB . 27079 1 328 . 1 1 92 92 ASN N N 15 128.018 0.400 . 1 . . . . . 96 ASN N . 27079 1 329 . 1 1 93 93 LEU H H 1 7.758 0.020 . 1 . . . . . 97 LEU H . 27079 1 330 . 1 1 93 93 LEU CA C 13 53.162 0.400 . 1 . . . . . 97 LEU CA . 27079 1 331 . 1 1 93 93 LEU CB C 13 42.639 0.400 . 1 . . . . . 97 LEU CB . 27079 1 332 . 1 1 93 93 LEU N N 15 123.019 0.400 . 1 . . . . . 97 LEU N . 27079 1 333 . 1 1 94 94 ARG H H 1 8.415 0.020 . 1 . . . . . 98 ARG H . 27079 1 334 . 1 1 94 94 ARG CA C 13 54.118 0.400 . 1 . . . . . 98 ARG CA . 27079 1 335 . 1 1 94 94 ARG CB C 13 32.353 0.400 . 1 . . . . . 98 ARG CB . 27079 1 336 . 1 1 94 94 ARG N N 15 120.278 0.400 . 1 . . . . . 98 ARG N . 27079 1 337 . 1 1 95 95 GLU H H 1 9.024 0.020 . 1 . . . . . 99 GLU H . 27079 1 338 . 1 1 95 95 GLU N N 15 123.118 0.400 . 1 . . . . . 99 GLU N . 27079 1 339 . 1 1 96 96 GLY CA C 13 45.167 0.400 . 1 . . . . . 100 GLY CA . 27079 1 340 . 1 1 97 97 ASN H H 1 7.622 0.020 . 1 . . . . . 101 ASN H . 27079 1 341 . 1 1 97 97 ASN CA C 13 51.599 0.400 . 1 . . . . . 101 ASN CA . 27079 1 342 . 1 1 97 97 ASN CB C 13 39.105 0.400 . 1 . . . . . 101 ASN CB . 27079 1 343 . 1 1 97 97 ASN N N 15 116.224 0.400 . 1 . . . . . 101 ASN N . 27079 1 344 . 1 1 98 98 ILE H H 1 7.428 0.020 . 1 . . . . . 102 ILE H . 27079 1 345 . 1 1 98 98 ILE CA C 13 61.391 0.400 . 1 . . . . . 102 ILE CA . 27079 1 346 . 1 1 98 98 ILE CB C 13 39.257 0.400 . 1 . . . . . 102 ILE CB . 27079 1 347 . 1 1 98 98 ILE N N 15 120.759 0.400 . 1 . . . . . 102 ILE N . 27079 1 348 . 1 1 99 99 MET H H 1 8.003 0.020 . 1 . . . . . 103 MET H . 27079 1 349 . 1 1 99 99 MET CA C 13 57.160 0.400 . 1 . . . . . 103 MET CA . 27079 1 350 . 1 1 99 99 MET CB C 13 29.075 0.400 . 1 . . . . . 103 MET CB . 27079 1 351 . 1 1 99 99 MET N N 15 125.844 0.400 . 1 . . . . . 103 MET N . 27079 1 352 . 1 1 100 100 ALA H H 1 7.943 0.020 . 1 . . . . . 104 ALA H . 27079 1 353 . 1 1 100 100 ALA CA C 13 54.229 0.400 . 1 . . . . . 104 ALA CA . 27079 1 354 . 1 1 100 100 ALA CB C 13 17.244 0.400 . 1 . . . . . 104 ALA CB . 27079 1 355 . 1 1 100 100 ALA N N 15 124.220 0.400 . 1 . . . . . 104 ALA N . 27079 1 356 . 1 1 101 101 VAL H H 1 8.555 0.020 . 1 . . . . . 105 VAL H . 27079 1 357 . 1 1 101 101 VAL CA C 13 67.023 0.400 . 1 . . . . . 105 VAL CA . 27079 1 358 . 1 1 101 101 VAL CB C 13 30.351 0.400 . 1 . . . . . 105 VAL CB . 27079 1 359 . 1 1 101 101 VAL N N 15 123.404 0.400 . 1 . . . . . 105 VAL N . 27079 1 360 . 1 1 102 102 MET H H 1 8.762 0.020 . 1 . . . . . 106 MET H . 27079 1 361 . 1 1 102 102 MET CA C 13 60.224 0.400 . 1 . . . . . 106 MET CA . 27079 1 362 . 1 1 102 102 MET CB C 13 32.650 0.400 . 1 . . . . . 106 MET CB . 27079 1 363 . 1 1 102 102 MET N N 15 121.274 0.400 . 1 . . . . . 106 MET N . 27079 1 364 . 1 1 103 103 ALA H H 1 8.227 0.020 . 1 . . . . . 107 ALA H . 27079 1 365 . 1 1 103 103 ALA CA C 13 54.661 0.400 . 1 . . . . . 107 ALA CA . 27079 1 366 . 1 1 103 103 ALA CB C 13 17.757 0.400 . 1 . . . . . 107 ALA CB . 27079 1 367 . 1 1 103 103 ALA N N 15 120.058 0.400 . 1 . . . . . 107 ALA N . 27079 1 368 . 1 1 104 104 THR H H 1 7.886 0.020 . 1 . . . . . 108 THR H . 27079 1 369 . 1 1 104 104 THR CA C 13 66.868 0.400 . 1 . . . . . 108 THR CA . 27079 1 370 . 1 1 104 104 THR N N 15 116.629 0.400 . 1 . . . . . 108 THR N . 27079 1 371 . 1 1 105 105 ALA H H 1 8.801 0.020 . 1 . . . . . 109 ALA H . 27079 1 372 . 1 1 105 105 ALA CA C 13 54.964 0.400 . 1 . . . . . 109 ALA CA . 27079 1 373 . 1 1 105 105 ALA CB C 13 17.380 0.400 . 1 . . . . . 109 ALA CB . 27079 1 374 . 1 1 105 105 ALA N N 15 125.903 0.400 . 1 . . . . . 109 ALA N . 27079 1 375 . 1 1 106 106 MET H H 1 8.114 0.020 . 1 . . . . . 110 MET H . 27079 1 376 . 1 1 106 106 MET CA C 13 58.513 0.400 . 1 . . . . . 110 MET CA . 27079 1 377 . 1 1 106 106 MET CB C 13 32.034 0.400 . 1 . . . . . 110 MET CB . 27079 1 378 . 1 1 106 106 MET N N 15 119.057 0.400 . 1 . . . . . 110 MET N . 27079 1 379 . 1 1 107 107 TYR H H 1 7.532 0.020 . 1 . . . . . 111 TYR H . 27079 1 380 . 1 1 107 107 TYR CA C 13 60.149 0.400 . 1 . . . . . 111 TYR CA . 27079 1 381 . 1 1 107 107 TYR CB C 13 37.769 0.400 . 1 . . . . . 111 TYR CB . 27079 1 382 . 1 1 107 107 TYR N N 15 123.502 0.400 . 1 . . . . . 111 TYR N . 27079 1 383 . 1 1 108 108 LEU H H 1 8.210 0.020 . 1 . . . . . 112 LEU H . 27079 1 384 . 1 1 108 108 LEU CA C 13 54.421 0.400 . 1 . . . . . 112 LEU CA . 27079 1 385 . 1 1 108 108 LEU CB C 13 41.077 0.400 . 1 . . . . . 112 LEU CB . 27079 1 386 . 1 1 108 108 LEU N N 15 113.103 0.400 . 1 . . . . . 112 LEU N . 27079 1 387 . 1 1 109 109 GLN H H 1 7.841 0.020 . 1 . . . . . 113 GLN H . 27079 1 388 . 1 1 109 109 GLN CA C 13 56.223 0.400 . 1 . . . . . 113 GLN CA . 27079 1 389 . 1 1 109 109 GLN CB C 13 24.035 0.400 . 1 . . . . . 113 GLN CB . 27079 1 390 . 1 1 109 109 GLN N N 15 120.005 0.400 . 1 . . . . . 113 GLN N . 27079 1 391 . 1 1 110 110 MET H H 1 7.895 0.020 . 1 . . . . . 114 MET H . 27079 1 392 . 1 1 110 110 MET CA C 13 53.734 0.400 . 1 . . . . . 114 MET CA . 27079 1 393 . 1 1 110 110 MET CB C 13 32.948 0.400 . 1 . . . . . 114 MET CB . 27079 1 394 . 1 1 110 110 MET N N 15 122.792 0.400 . 1 . . . . . 114 MET N . 27079 1 395 . 1 1 111 111 GLU H H 1 8.472 0.020 . 1 . . . . . 115 GLU H . 27079 1 396 . 1 1 111 111 GLU CA C 13 59.584 0.400 . 1 . . . . . 115 GLU CA . 27079 1 397 . 1 1 111 111 GLU CB C 13 28.558 0.400 . 1 . . . . . 115 GLU CB . 27079 1 398 . 1 1 111 111 GLU N N 15 123.666 0.400 . 1 . . . . . 115 GLU N . 27079 1 399 . 1 1 112 112 HIS CA C 13 58.066 0.400 . 1 . . . . . 116 HIS CA . 27079 1 400 . 1 1 112 112 HIS CB C 13 28.350 0.400 . 1 . . . . . 116 HIS CB . 27079 1 401 . 1 1 113 113 VAL H H 1 7.090 0.020 . 1 . . . . . 117 VAL H . 27079 1 402 . 1 1 113 113 VAL CA C 13 65.926 0.400 . 1 . . . . . 117 VAL CA . 27079 1 403 . 1 1 113 113 VAL CB C 13 30.326 0.400 . 1 . . . . . 117 VAL CB . 27079 1 404 . 1 1 113 113 VAL N N 15 122.295 0.400 . 1 . . . . . 117 VAL N . 27079 1 405 . 1 1 114 114 VAL H H 1 7.608 0.020 . 1 . . . . . 118 VAL H . 27079 1 406 . 1 1 114 114 VAL CA C 13 67.676 0.400 . 1 . . . . . 118 VAL CA . 27079 1 407 . 1 1 114 114 VAL CB C 13 30.617 0.400 . 1 . . . . . 118 VAL CB . 27079 1 408 . 1 1 114 114 VAL N N 15 122.533 0.400 . 1 . . . . . 118 VAL N . 27079 1 409 . 1 1 115 115 ASP H H 1 8.195 0.020 . 1 . . . . . 119 ASP H . 27079 1 410 . 1 1 115 115 ASP CA C 13 57.400 0.400 . 1 . . . . . 119 ASP CA . 27079 1 411 . 1 1 115 115 ASP CB C 13 40.480 0.400 . 1 . . . . . 119 ASP CB . 27079 1 412 . 1 1 115 115 ASP N N 15 118.127 0.400 . 1 . . . . . 119 ASP N . 27079 1 413 . 1 1 116 116 THR H H 1 7.449 0.020 . 1 . . . . . 120 THR H . 27079 1 414 . 1 1 116 116 THR CA C 13 67.002 0.400 . 1 . . . . . 120 THR CA . 27079 1 415 . 1 1 116 116 THR CB C 13 68.102 0.400 . 1 . . . . . 120 THR CB . 27079 1 416 . 1 1 116 116 THR N N 15 116.592 0.400 . 1 . . . . . 120 THR N . 27079 1 417 . 1 1 117 117 CYS H H 1 8.139 0.020 . 1 . . . . . 121 CYS H . 27079 1 418 . 1 1 117 117 CYS CA C 13 64.161 0.400 . 1 . . . . . 121 CYS CA . 27079 1 419 . 1 1 117 117 CYS CB C 13 26.899 0.400 . 1 . . . . . 121 CYS CB . 27079 1 420 . 1 1 117 117 CYS N N 15 120.026 0.400 . 1 . . . . . 121 CYS N . 27079 1 421 . 1 1 118 118 ARG H H 1 8.222 0.020 . 1 . . . . . 122 ARG H . 27079 1 422 . 1 1 118 118 ARG CA C 13 59.349 0.400 . 1 . . . . . 122 ARG CA . 27079 1 423 . 1 1 118 118 ARG CB C 13 29.116 0.400 . 1 . . . . . 122 ARG CB . 27079 1 424 . 1 1 118 118 ARG N N 15 118.682 0.400 . 1 . . . . . 122 ARG N . 27079 1 425 . 1 1 119 119 LYS H H 1 7.404 0.020 . 1 . . . . . 123 LYS H . 27079 1 426 . 1 1 119 119 LYS CA C 13 58.063 0.400 . 1 . . . . . 123 LYS CA . 27079 1 427 . 1 1 119 119 LYS CB C 13 31.237 0.400 . 1 . . . . . 123 LYS CB . 27079 1 428 . 1 1 119 119 LYS N N 15 117.766 0.400 . 1 . . . . . 123 LYS N . 27079 1 429 . 1 1 120 120 PHE H H 1 7.669 0.020 . 1 . . . . . 124 PHE H . 27079 1 430 . 1 1 120 120 PHE CA C 13 59.315 0.400 . 1 . . . . . 124 PHE CA . 27079 1 431 . 1 1 120 120 PHE CB C 13 39.131 0.400 . 1 . . . . . 124 PHE CB . 27079 1 432 . 1 1 120 120 PHE N N 15 119.408 0.400 . 1 . . . . . 124 PHE N . 27079 1 433 . 1 1 121 121 ILE H H 1 7.507 0.020 . 1 . . . . . 125 ILE H . 27079 1 434 . 1 1 121 121 ILE CA C 13 62.002 0.400 . 1 . . . . . 125 ILE CA . 27079 1 435 . 1 1 121 121 ILE CB C 13 37.655 0.400 . 1 . . . . . 125 ILE CB . 27079 1 436 . 1 1 121 121 ILE N N 15 119.355 0.400 . 1 . . . . . 125 ILE N . 27079 1 437 . 1 1 122 122 LYS H H 1 7.858 0.020 . 1 . . . . . 126 LYS H . 27079 1 438 . 1 1 122 122 LYS CA C 13 56.202 0.400 . 1 . . . . . 126 LYS CA . 27079 1 439 . 1 1 122 122 LYS CB C 13 31.684 0.400 . 1 . . . . . 126 LYS CB . 27079 1 440 . 1 1 122 122 LYS N N 15 123.536 0.400 . 1 . . . . . 126 LYS N . 27079 1 441 . 1 1 123 123 ALA H H 1 7.932 0.020 . 1 . . . . . 127 ALA H . 27079 1 442 . 1 1 123 123 ALA CA C 13 51.995 0.400 . 1 . . . . . 127 ALA CA . 27079 1 443 . 1 1 123 123 ALA CB C 13 18.496 0.400 . 1 . . . . . 127 ALA CB . 27079 1 444 . 1 1 123 123 ALA N N 15 125.383 0.400 . 1 . . . . . 127 ALA N . 27079 1 445 . 1 1 124 124 SER H H 1 7.656 0.020 . 1 . . . . . 128 SER H . 27079 1 446 . 1 1 124 124 SER CA C 13 59.602 0.400 . 1 . . . . . 128 SER CA . 27079 1 447 . 1 1 124 124 SER CB C 13 64.728 0.400 . 1 . . . . . 128 SER CB . 27079 1 448 . 1 1 124 124 SER N N 15 121.337 0.400 . 1 . . . . . 128 SER N . 27079 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 27079 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 4 '2D 1H-15N HSQC' . . . 27079 2 5 '3D HNCACB' . . . 27079 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 3 3 SER H H 1 8.331 0.020 . 1 . . . . . 7 SER H . 27079 2 2 . 1 1 3 3 SER N N 15 116.540 0.400 . 1 . . . . . 7 SER N . 27079 2 3 . 1 1 4 4 GLN H H 1 8.164 0.020 . 1 . . . . . 8 GLN H . 27079 2 4 . 1 1 4 4 GLN N N 15 122.433 0.400 . 1 . . . . . 8 GLN N . 27079 2 5 . 1 1 5 5 ILE H H 1 8.486 0.020 . 1 . . . . . 9 ILE H . 27079 2 6 . 1 1 5 5 ILE N N 15 126.058 0.400 . 1 . . . . . 9 ILE N . 27079 2 7 . 1 1 6 6 GLN H H 1 8.682 0.020 . 1 . . . . . 10 GLN H . 27079 2 8 . 1 1 6 6 GLN N N 15 127.468 0.400 . 1 . . . . . 10 GLN N . 27079 2 9 . 1 1 7 7 PHE H H 1 8.811 0.020 . 1 . . . . . 11 PHE H . 27079 2 10 . 1 1 7 7 PHE N N 15 127.669 0.400 . 1 . . . . . 11 PHE N . 27079 2 11 . 1 1 10 10 HIS H H 1 7.324 0.020 . 1 . . . . . 14 HIS H . 27079 2 12 . 1 1 10 10 HIS N N 15 119.895 0.400 . 1 . . . . . 14 HIS N . 27079 2 13 . 1 1 11 11 ALA H H 1 8.859 0.020 . 1 . . . . . 15 ALA H . 27079 2 14 . 1 1 11 11 ALA N N 15 119.915 0.400 . 1 . . . . . 15 ALA N . 27079 2 15 . 1 1 12 12 SER H H 1 7.972 0.020 . 1 . . . . . 16 SER H . 27079 2 16 . 1 1 12 12 SER N N 15 114.139 0.400 . 1 . . . . . 16 SER N . 27079 2 17 . 1 1 14 14 VAL H H 1 8.332 0.020 . 1 . . . . . 18 VAL H . 27079 2 18 . 1 1 14 14 VAL N N 15 122.170 0.400 . 1 . . . . . 18 VAL N . 27079 2 19 . 1 1 15 15 LEU H H 1 7.715 0.020 . 1 . . . . . 19 LEU H . 27079 2 20 . 1 1 15 15 LEU N N 15 121.058 0.400 . 1 . . . . . 19 LEU N . 27079 2 21 . 1 1 16 16 LEU H H 1 7.957 0.020 . 1 . . . . . 20 LEU H . 27079 2 22 . 1 1 16 16 LEU N N 15 119.408 0.400 . 1 . . . . . 20 LEU N . 27079 2 23 . 1 1 17 17 ASN H H 1 7.971 0.020 . 1 . . . . . 21 ASN H . 27079 2 24 . 1 1 17 17 ASN N N 15 119.458 0.400 . 1 . . . . . 21 ASN N . 27079 2 25 . 1 1 18 18 LEU H H 1 8.987 0.020 . 1 . . . . . 22 LEU H . 27079 2 26 . 1 1 18 18 LEU N N 15 124.325 0.400 . 1 . . . . . 22 LEU N . 27079 2 27 . 1 1 19 19 ASN H H 1 8.952 0.020 . 1 . . . . . 23 ASN H . 27079 2 28 . 1 1 19 19 ASN N N 15 119.192 0.400 . 1 . . . . . 23 ASN N . 27079 2 29 . 1 1 20 20 ARG H H 1 8.189 0.020 . 1 . . . . . 24 ARG H . 27079 2 30 . 1 1 20 20 ARG N N 15 121.892 0.400 . 1 . . . . . 24 ARG N . 27079 2 31 . 1 1 21 21 LEU H H 1 8.137 0.020 . 1 . . . . . 25 LEU H . 27079 2 32 . 1 1 21 21 LEU N N 15 118.593 0.400 . 1 . . . . . 25 LEU N . 27079 2 33 . 1 1 22 22 ARG H H 1 8.294 0.020 . 1 . . . . . 26 ARG H . 27079 2 34 . 1 1 22 22 ARG N N 15 119.962 0.400 . 1 . . . . . 26 ARG N . 27079 2 35 . 1 1 23 23 SER H H 1 8.583 0.020 . 1 . . . . . 27 SER H . 27079 2 36 . 1 1 23 23 SER N N 15 117.672 0.400 . 1 . . . . . 27 SER N . 27079 2 37 . 1 1 24 24 ARG H H 1 7.343 0.020 . 1 . . . . . 28 ARG H . 27079 2 38 . 1 1 24 24 ARG N N 15 119.111 0.400 . 1 . . . . . 28 ARG N . 27079 2 39 . 1 1 25 25 ASP H H 1 8.021 0.020 . 1 . . . . . 29 ASP H . 27079 2 40 . 1 1 25 25 ASP N N 15 122.056 0.400 . 1 . . . . . 29 ASP N . 27079 2 41 . 1 1 26 26 ILE H H 1 8.482 0.020 . 1 . . . . . 30 ILE H . 27079 2 42 . 1 1 26 26 ILE N N 15 119.580 0.400 . 1 . . . . . 30 ILE N . 27079 2 43 . 1 1 27 27 LEU H H 1 9.014 0.020 . 1 . . . . . 31 LEU H . 27079 2 44 . 1 1 27 27 LEU N N 15 124.328 0.400 . 1 . . . . . 31 LEU N . 27079 2 45 . 1 1 28 28 THR H H 1 6.980 0.020 . 1 . . . . . 32 THR H . 27079 2 46 . 1 1 28 28 THR N N 15 109.744 0.400 . 1 . . . . . 32 THR N . 27079 2 47 . 1 1 29 29 ASP H H 1 8.581 0.020 . 1 . . . . . 33 ASP H . 27079 2 48 . 1 1 29 29 ASP N N 15 124.125 0.400 . 1 . . . . . 33 ASP N . 27079 2 49 . 1 1 30 30 VAL H H 1 7.741 0.020 . 1 . . . . . 34 VAL H . 27079 2 50 . 1 1 30 30 VAL N N 15 118.146 0.400 . 1 . . . . . 34 VAL N . 27079 2 51 . 1 1 31 31 VAL H H 1 7.900 0.020 . 1 . . . . . 35 VAL H . 27079 2 52 . 1 1 31 31 VAL N N 15 127.102 0.400 . 1 . . . . . 35 VAL N . 27079 2 53 . 1 1 33 33 VAL H H 1 9.007 0.020 . 1 . . . . . 37 VAL H . 27079 2 54 . 1 1 33 33 VAL N N 15 129.458 0.400 . 1 . . . . . 37 VAL N . 27079 2 55 . 1 1 34 34 VAL H H 1 8.778 0.020 . 1 . . . . . 38 VAL H . 27079 2 56 . 1 1 34 34 VAL N N 15 129.268 0.400 . 1 . . . . . 38 VAL N . 27079 2 57 . 1 1 35 35 SER H H 1 8.924 0.020 . 1 . . . . . 39 SER H . 27079 2 58 . 1 1 35 35 SER N N 15 122.779 0.400 . 1 . . . . . 39 SER N . 27079 2 59 . 1 1 36 36 ARG H H 1 8.111 0.020 . 1 . . . . . 40 ARG H . 27079 2 60 . 1 1 36 36 ARG N N 15 117.194 0.400 . 1 . . . . . 40 ARG N . 27079 2 61 . 1 1 37 37 GLU H H 1 8.146 0.020 . 1 . . . . . 41 GLU H . 27079 2 62 . 1 1 37 37 GLU N N 15 122.696 0.400 . 1 . . . . . 41 GLU N . 27079 2 63 . 1 1 38 38 GLN H H 1 7.942 0.020 . 1 . . . . . 42 GLN H . 27079 2 64 . 1 1 38 38 GLN N N 15 118.516 0.400 . 1 . . . . . 42 GLN N . 27079 2 65 . 1 1 39 39 PHE H H 1 9.050 0.020 . 1 . . . . . 43 PHE H . 27079 2 66 . 1 1 39 39 PHE N N 15 121.609 0.400 . 1 . . . . . 43 PHE N . 27079 2 67 . 1 1 40 40 ARG H H 1 8.588 0.020 . 1 . . . . . 44 ARG H . 27079 2 68 . 1 1 40 40 ARG N N 15 122.941 0.400 . 1 . . . . . 44 ARG N . 27079 2 69 . 1 1 41 41 ALA H H 1 8.050 0.020 . 1 . . . . . 45 ALA H . 27079 2 70 . 1 1 41 41 ALA N N 15 120.230 0.400 . 1 . . . . . 45 ALA N . 27079 2 71 . 1 1 42 42 HIS H H 1 7.151 0.020 . 1 . . . . . 46 HIS H . 27079 2 72 . 1 1 42 42 HIS N N 15 116.525 0.400 . 1 . . . . . 46 HIS N . 27079 2 73 . 1 1 43 43 LYS H H 1 11.145 0.020 . 1 . . . . . 47 LYS H . 27079 2 74 . 1 1 43 43 LYS N N 15 129.933 0.400 . 1 . . . . . 47 LYS N . 27079 2 75 . 1 1 44 44 THR H H 1 8.593 0.020 . 1 . . . . . 48 THR H . 27079 2 76 . 1 1 44 44 THR N N 15 106.598 0.400 . 1 . . . . . 48 THR N . 27079 2 77 . 1 1 45 45 VAL H H 1 6.420 0.020 . 1 . . . . . 49 VAL H . 27079 2 78 . 1 1 45 45 VAL N N 15 119.723 0.400 . 1 . . . . . 49 VAL N . 27079 2 79 . 1 1 47 47 MET H H 1 8.494 0.020 . 1 . . . . . 51 MET H . 27079 2 80 . 1 1 47 47 MET N N 15 115.737 0.400 . 1 . . . . . 51 MET N . 27079 2 81 . 1 1 48 48 ALA H H 1 7.622 0.020 . 1 . . . . . 52 ALA H . 27079 2 82 . 1 1 48 48 ALA N N 15 118.911 0.400 . 1 . . . . . 52 ALA N . 27079 2 83 . 1 1 49 49 CYS H H 1 7.184 0.020 . 1 . . . . . 53 CYS H . 27079 2 84 . 1 1 49 49 CYS N N 15 111.111 0.400 . 1 . . . . . 53 CYS N . 27079 2 85 . 1 1 50 50 SER H H 1 7.774 0.020 . 1 . . . . . 54 SER H . 27079 2 86 . 1 1 50 50 SER N N 15 114.731 0.400 . 1 . . . . . 54 SER N . 27079 2 87 . 1 1 51 51 GLY H H 1 8.569 0.020 . 1 . . . . . 55 GLY H . 27079 2 88 . 1 1 51 51 GLY N N 15 118.242 0.400 . 1 . . . . . 55 GLY N . 27079 2 89 . 1 1 52 52 LEU H H 1 7.096 0.020 . 1 . . . . . 56 LEU H . 27079 2 90 . 1 1 52 52 LEU N N 15 122.270 0.400 . 1 . . . . . 56 LEU N . 27079 2 91 . 1 1 53 53 PHE H H 1 7.359 0.020 . 1 . . . . . 57 PHE H . 27079 2 92 . 1 1 53 53 PHE N N 15 116.062 0.400 . 1 . . . . . 57 PHE N . 27079 2 93 . 1 1 55 55 SER H H 1 7.901 0.020 . 1 . . . . . 59 SER H . 27079 2 94 . 1 1 55 55 SER N N 15 115.966 0.400 . 1 . . . . . 59 SER N . 27079 2 95 . 1 1 56 56 ILE H H 1 7.846 0.020 . 1 . . . . . 60 ILE H . 27079 2 96 . 1 1 56 56 ILE N N 15 122.059 0.400 . 1 . . . . . 60 ILE N . 27079 2 97 . 1 1 57 57 PHE H H 1 7.629 0.020 . 1 . . . . . 61 PHE H . 27079 2 98 . 1 1 57 57 PHE N N 15 111.458 0.400 . 1 . . . . . 61 PHE N . 27079 2 99 . 1 1 58 58 THR H H 1 7.207 0.020 . 1 . . . . . 62 THR H . 27079 2 100 . 1 1 58 58 THR N N 15 107.448 0.400 . 1 . . . . . 62 THR N . 27079 2 101 . 1 1 59 59 ASP H H 1 7.079 0.020 . 1 . . . . . 63 ASP H . 27079 2 102 . 1 1 59 59 ASP N N 15 125.413 0.400 . 1 . . . . . 63 ASP N . 27079 2 103 . 1 1 60 60 GLN H H 1 8.898 0.020 . 1 . . . . . 64 GLN H . 27079 2 104 . 1 1 60 60 GLN N N 15 126.870 0.400 . 1 . . . . . 64 GLN N . 27079 2 105 . 1 1 61 61 LEU H H 1 8.355 0.020 . 1 . . . . . 65 LEU H . 27079 2 106 . 1 1 61 61 LEU N N 15 118.051 0.400 . 1 . . . . . 65 LEU N . 27079 2 107 . 1 1 62 62 LYS H H 1 8.011 0.020 . 1 . . . . . 66 LYS H . 27079 2 108 . 1 1 62 62 LYS N N 15 119.354 0.400 . 1 . . . . . 66 LYS N . 27079 2 109 . 1 1 63 63 ARG H H 1 7.706 0.020 . 1 . . . . . 67 ARG H . 27079 2 110 . 1 1 63 63 ARG N N 15 118.202 0.400 . 1 . . . . . 67 ARG N . 27079 2 111 . 1 1 64 64 ASN H H 1 8.005 0.020 . 1 . . . . . 68 ASN H . 27079 2 112 . 1 1 64 64 ASN N N 15 114.289 0.400 . 1 . . . . . 68 ASN N . 27079 2 113 . 1 1 65 65 LEU H H 1 7.638 0.020 . 1 . . . . . 69 LEU H . 27079 2 114 . 1 1 65 65 LEU N N 15 122.389 0.400 . 1 . . . . . 69 LEU N . 27079 2 115 . 1 1 66 66 SER H H 1 8.720 0.020 . 1 . . . . . 70 SER H . 27079 2 116 . 1 1 66 66 SER N N 15 115.932 0.400 . 1 . . . . . 70 SER N . 27079 2 117 . 1 1 67 67 VAL H H 1 7.289 0.020 . 1 . . . . . 71 VAL H . 27079 2 118 . 1 1 67 67 VAL N N 15 123.644 0.400 . 1 . . . . . 71 VAL N . 27079 2 119 . 1 1 68 68 ILE H H 1 8.760 0.020 . 1 . . . . . 72 ILE H . 27079 2 120 . 1 1 68 68 ILE N N 15 126.075 0.400 . 1 . . . . . 72 ILE N . 27079 2 121 . 1 1 69 69 ASN H H 1 8.659 0.020 . 1 . . . . . 73 ASN H . 27079 2 122 . 1 1 69 69 ASN N N 15 125.934 0.400 . 1 . . . . . 73 ASN N . 27079 2 123 . 1 1 70 70 LEU H H 1 8.132 0.020 . 1 . . . . . 74 LEU H . 27079 2 124 . 1 1 70 70 LEU N N 15 121.597 0.400 . 1 . . . . . 74 LEU N . 27079 2 125 . 1 1 71 71 ASP H H 1 7.049 0.020 . 1 . . . . . 75 ASP H . 27079 2 126 . 1 1 71 71 ASP N N 15 121.260 0.400 . 1 . . . . . 75 ASP N . 27079 2 127 . 1 1 73 73 GLU H H 1 8.609 0.020 . 1 . . . . . 77 GLU H . 27079 2 128 . 1 1 73 73 GLU N N 15 117.621 0.400 . 1 . . . . . 77 GLU N . 27079 2 129 . 1 1 74 74 ILE H H 1 7.391 0.020 . 1 . . . . . 78 ILE H . 27079 2 130 . 1 1 74 74 ILE N N 15 121.242 0.400 . 1 . . . . . 78 ILE N . 27079 2 131 . 1 1 75 75 ASN H H 1 8.742 0.020 . 1 . . . . . 79 ASN H . 27079 2 132 . 1 1 75 75 ASN N N 15 128.080 0.400 . 1 . . . . . 79 ASN N . 27079 2 133 . 1 1 77 77 GLU H H 1 7.982 0.020 . 1 . . . . . 81 GLU H . 27079 2 134 . 1 1 77 77 GLU N N 15 119.495 0.400 . 1 . . . . . 81 GLU N . 27079 2 135 . 1 1 78 78 GLY H H 1 8.099 0.020 . 1 . . . . . 82 GLY H . 27079 2 136 . 1 1 78 78 GLY N N 15 105.769 0.400 . 1 . . . . . 82 GLY N . 27079 2 137 . 1 1 79 79 PHE H H 1 7.911 0.020 . 1 . . . . . 83 PHE H . 27079 2 138 . 1 1 79 79 PHE N N 15 119.542 0.400 . 1 . . . . . 83 PHE N . 27079 2 139 . 1 1 80 80 ASN H H 1 8.515 0.020 . 1 . . . . . 84 ASN H . 27079 2 140 . 1 1 80 80 ASN N N 15 118.658 0.400 . 1 . . . . . 84 ASN N . 27079 2 141 . 1 1 81 81 ILE H H 1 7.718 0.020 . 1 . . . . . 85 ILE H . 27079 2 142 . 1 1 81 81 ILE N N 15 118.239 0.400 . 1 . . . . . 85 ILE N . 27079 2 143 . 1 1 85 85 PHE H H 1 8.358 0.020 . 1 . . . . . 89 PHE H . 27079 2 144 . 1 1 85 85 PHE N N 15 120.440 0.400 . 1 . . . . . 89 PHE N . 27079 2 145 . 1 1 86 86 MET H H 1 9.359 0.020 . 1 . . . . . 90 MET H . 27079 2 146 . 1 1 86 86 MET N N 15 127.884 0.400 . 1 . . . . . 90 MET N . 27079 2 147 . 1 1 89 89 SER H H 1 8.600 0.020 . 1 . . . . . 93 SER H . 27079 2 148 . 1 1 89 89 SER N N 15 117.215 0.400 . 1 . . . . . 93 SER N . 27079 2 149 . 1 1 90 90 ARG H H 1 7.899 0.020 . 1 . . . . . 94 ARG H . 27079 2 150 . 1 1 90 90 ARG N N 15 121.126 0.400 . 1 . . . . . 94 ARG N . 27079 2 151 . 1 1 91 91 LEU H H 1 9.146 0.020 . 1 . . . . . 95 LEU H . 27079 2 152 . 1 1 91 91 LEU N N 15 127.643 0.400 . 1 . . . . . 95 LEU N . 27079 2 153 . 1 1 92 92 ASN H H 1 8.082 0.020 . 1 . . . . . 96 ASN H . 27079 2 154 . 1 1 92 92 ASN N N 15 127.909 0.400 . 1 . . . . . 96 ASN N . 27079 2 155 . 1 1 93 93 LEU H H 1 7.750 0.020 . 1 . . . . . 97 LEU H . 27079 2 156 . 1 1 93 93 LEU N N 15 122.981 0.400 . 1 . . . . . 97 LEU N . 27079 2 157 . 1 1 94 94 ARG H H 1 8.403 0.020 . 1 . . . . . 98 ARG H . 27079 2 158 . 1 1 94 94 ARG N N 15 120.260 0.400 . 1 . . . . . 98 ARG N . 27079 2 159 . 1 1 95 95 GLU H H 1 8.980 0.020 . 1 . . . . . 99 GLU H . 27079 2 160 . 1 1 95 95 GLU N N 15 123.080 0.400 . 1 . . . . . 99 GLU N . 27079 2 161 . 1 1 97 97 ASN H H 1 7.616 0.020 . 1 . . . . . 101 ASN H . 27079 2 162 . 1 1 97 97 ASN N N 15 116.189 0.400 . 1 . . . . . 101 ASN N . 27079 2 163 . 1 1 98 98 ILE H H 1 7.423 0.020 . 1 . . . . . 102 ILE H . 27079 2 164 . 1 1 98 98 ILE N N 15 120.795 0.400 . 1 . . . . . 102 ILE N . 27079 2 165 . 1 1 99 99 MET H H 1 7.980 0.020 . 1 . . . . . 103 MET H . 27079 2 166 . 1 1 99 99 MET N N 15 125.711 0.400 . 1 . . . . . 103 MET N . 27079 2 167 . 1 1 100 100 ALA H H 1 7.923 0.020 . 1 . . . . . 104 ALA H . 27079 2 168 . 1 1 100 100 ALA N N 15 124.176 0.400 . 1 . . . . . 104 ALA N . 27079 2 169 . 1 1 101 101 VAL H H 1 8.537 0.020 . 1 . . . . . 105 VAL H . 27079 2 170 . 1 1 101 101 VAL N N 15 123.337 0.400 . 1 . . . . . 105 VAL N . 27079 2 171 . 1 1 102 102 MET H H 1 8.767 0.020 . 1 . . . . . 106 MET H . 27079 2 172 . 1 1 102 102 MET N N 15 121.229 0.400 . 1 . . . . . 106 MET N . 27079 2 173 . 1 1 103 103 ALA H H 1 8.210 0.020 . 1 . . . . . 107 ALA H . 27079 2 174 . 1 1 103 103 ALA N N 15 119.991 0.400 . 1 . . . . . 107 ALA N . 27079 2 175 . 1 1 104 104 THR H H 1 7.873 0.020 . 1 . . . . . 108 THR H . 27079 2 176 . 1 1 104 104 THR N N 15 116.666 0.400 . 1 . . . . . 108 THR N . 27079 2 177 . 1 1 105 105 ALA H H 1 8.795 0.020 . 1 . . . . . 109 ALA H . 27079 2 178 . 1 1 105 105 ALA N N 15 125.853 0.400 . 1 . . . . . 109 ALA N . 27079 2 179 . 1 1 106 106 MET H H 1 8.120 0.020 . 1 . . . . . 110 MET H . 27079 2 180 . 1 1 106 106 MET N N 15 118.960 0.400 . 1 . . . . . 110 MET N . 27079 2 181 . 1 1 107 107 TYR H H 1 7.510 0.020 . 1 . . . . . 111 TYR H . 27079 2 182 . 1 1 107 107 TYR N N 15 123.408 0.400 . 1 . . . . . 111 TYR N . 27079 2 183 . 1 1 109 109 GLN H H 1 7.829 0.020 . 1 . . . . . 113 GLN H . 27079 2 184 . 1 1 109 109 GLN N N 15 119.869 0.400 . 1 . . . . . 113 GLN N . 27079 2 185 . 1 1 110 110 MET H H 1 7.882 0.020 . 1 . . . . . 114 MET H . 27079 2 186 . 1 1 110 110 MET N N 15 122.745 0.400 . 1 . . . . . 114 MET N . 27079 2 187 . 1 1 111 111 GLU H H 1 8.415 0.020 . 1 . . . . . 115 GLU H . 27079 2 188 . 1 1 111 111 GLU N N 15 123.436 0.400 . 1 . . . . . 115 GLU N . 27079 2 189 . 1 1 113 113 VAL H H 1 7.107 0.020 . 1 . . . . . 117 VAL H . 27079 2 190 . 1 1 113 113 VAL N N 15 122.450 0.400 . 1 . . . . . 117 VAL N . 27079 2 191 . 1 1 114 114 VAL H H 1 7.614 0.020 . 1 . . . . . 118 VAL H . 27079 2 192 . 1 1 114 114 VAL N N 15 122.383 0.400 . 1 . . . . . 118 VAL N . 27079 2 193 . 1 1 115 115 ASP H H 1 8.167 0.020 . 1 . . . . . 119 ASP H . 27079 2 194 . 1 1 115 115 ASP N N 15 118.141 0.400 . 1 . . . . . 119 ASP N . 27079 2 195 . 1 1 116 116 THR H H 1 7.471 0.020 . 1 . . . . . 120 THR H . 27079 2 196 . 1 1 116 116 THR N N 15 116.687 0.400 . 1 . . . . . 120 THR N . 27079 2 197 . 1 1 117 117 CYS H H 1 8.149 0.020 . 1 . . . . . 121 CYS H . 27079 2 198 . 1 1 117 117 CYS N N 15 120.103 0.400 . 1 . . . . . 121 CYS N . 27079 2 199 . 1 1 118 118 ARG H H 1 8.226 0.020 . 1 . . . . . 122 ARG H . 27079 2 200 . 1 1 118 118 ARG N N 15 118.774 0.400 . 1 . . . . . 122 ARG N . 27079 2 201 . 1 1 119 119 LYS H H 1 7.423 0.020 . 1 . . . . . 123 LYS H . 27079 2 202 . 1 1 119 119 LYS N N 15 117.918 0.400 . 1 . . . . . 123 LYS N . 27079 2 203 . 1 1 120 120 PHE H H 1 7.677 0.020 . 1 . . . . . 124 PHE H . 27079 2 204 . 1 1 120 120 PHE N N 15 119.588 0.400 . 1 . . . . . 124 PHE N . 27079 2 205 . 1 1 121 121 ILE H H 1 7.555 0.020 . 1 . . . . . 125 ILE H . 27079 2 206 . 1 1 121 121 ILE N N 15 119.331 0.400 . 1 . . . . . 125 ILE N . 27079 2 207 . 1 1 122 122 LYS H H 1 7.818 0.020 . 1 . . . . . 126 LYS H . 27079 2 208 . 1 1 122 122 LYS N N 15 123.181 0.400 . 1 . . . . . 126 LYS N . 27079 2 209 . 1 1 123 123 ALA H H 1 7.858 0.020 . 1 . . . . . 127 ALA H . 27079 2 210 . 1 1 123 123 ALA N N 15 125.013 0.400 . 1 . . . . . 127 ALA N . 27079 2 211 . 1 1 124 124 SER H H 1 7.617 0.020 . 1 . . . . . 128 SER H . 27079 2 212 . 1 1 124 124 SER N N 15 121.301 0.400 . 1 . . . . . 128 SER N . 27079 2 stop_ save_