data_27837 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27837 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for RepA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-15 _Entry.Accession_date 2019-03-15 _Entry.Last_release_date 2019-03-15 _Entry.Original_release_date 2019-03-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 David Pantoja-Uceda . . . . 27837 2 Javier Oroz . . . . 27837 3 Douglas Laurents . . . . 27837 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'LMR, IQFR,CSIC' . 27837 2 . CIB,CSIC . 27837 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27837 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 27837 '15N chemical shifts' 126 27837 '1H chemical shifts' 126 27837 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 . . 2020-03-31 2019-03-15 update BMRB 'update entry citation' 27837 1 . . 2019-12-17 2019-03-15 original author 'original release' 27837 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27837 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31918960 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conformational Priming of RepA-WH1 for Functional Amyloid Conversion Detected by NMR Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 3 _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 336 _Citation.Page_last 347 _Citation.Year 2020 _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 David Pantoja-Uceda . . . . 27837 1 2 Javier Oroz . . . . 27837 1 3 Cristina Fernandez . . . . 27837 1 4 Eva 'de Alba' . . . . 27837 1 5 Rafael Giraldo . . . . 27837 1 6 Douglas Laurents . . . . 27837 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27837 _Assembly.ID 1 _Assembly.Name 'RepA dimer' _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 'RepA chain 1' 1 $RepA A . yes native no no . . . 27837 1 2 'RepA chain 2' 1 $RepA B . yes native no no . . . 27837 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1hkq . . . . . . 27837 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RepA _Entity.Sf_category entity _Entity.Sf_framecode RepA _Entity.Entry_ID 27837 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RepA _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 ; MVENQVTQSNKLIESSHTLT LNEKRLVLCAASLIDSRKPL PKDGYLTIRADTFAEVFGID VKHAYAALDDAATKLFNRDI RRYVKGKVVERMRWVFHVKY REGQGCVELGFSPTIIPHLT MLHKEFTSYQLK ; _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 132 _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 . MET . 27837 1 2 . VAL . 27837 1 3 . GLU . 27837 1 4 . ASN . 27837 1 5 . GLN . 27837 1 6 . VAL . 27837 1 7 . THR . 27837 1 8 . GLN . 27837 1 9 . SER . 27837 1 10 . ASN . 27837 1 11 . LYS . 27837 1 12 . LEU . 27837 1 13 . ILE . 27837 1 14 . GLU . 27837 1 15 . SER . 27837 1 16 . SER . 27837 1 17 . HIS . 27837 1 18 . THR . 27837 1 19 . LEU . 27837 1 20 . THR . 27837 1 21 . LEU . 27837 1 22 . ASN . 27837 1 23 . GLU . 27837 1 24 . LYS . 27837 1 25 . ARG . 27837 1 26 . LEU . 27837 1 27 . VAL . 27837 1 28 . LEU . 27837 1 29 . CYS . 27837 1 30 . ALA . 27837 1 31 . ALA . 27837 1 32 . SER . 27837 1 33 . LEU . 27837 1 34 . ILE . 27837 1 35 . ASP . 27837 1 36 . SER . 27837 1 37 . ARG . 27837 1 38 . LYS . 27837 1 39 . PRO . 27837 1 40 . LEU . 27837 1 41 . PRO . 27837 1 42 . LYS . 27837 1 43 . ASP . 27837 1 44 . GLY . 27837 1 45 . TYR . 27837 1 46 . LEU . 27837 1 47 . THR . 27837 1 48 . ILE . 27837 1 49 . ARG . 27837 1 50 . ALA . 27837 1 51 . ASP . 27837 1 52 . THR . 27837 1 53 . PHE . 27837 1 54 . ALA . 27837 1 55 . GLU . 27837 1 56 . VAL . 27837 1 57 . PHE . 27837 1 58 . GLY . 27837 1 59 . ILE . 27837 1 60 . ASP . 27837 1 61 . VAL . 27837 1 62 . LYS . 27837 1 63 . HIS . 27837 1 64 . ALA . 27837 1 65 . TYR . 27837 1 66 . ALA . 27837 1 67 . ALA . 27837 1 68 . LEU . 27837 1 69 . ASP . 27837 1 70 . ASP . 27837 1 71 . ALA . 27837 1 72 . ALA . 27837 1 73 . THR . 27837 1 74 . LYS . 27837 1 75 . LEU . 27837 1 76 . PHE . 27837 1 77 . ASN . 27837 1 78 . ARG . 27837 1 79 . ASP . 27837 1 80 . ILE . 27837 1 81 . ARG . 27837 1 82 . ARG . 27837 1 83 . TYR . 27837 1 84 . VAL . 27837 1 85 . LYS . 27837 1 86 . GLY . 27837 1 87 . LYS . 27837 1 88 . VAL . 27837 1 89 . VAL . 27837 1 90 . GLU . 27837 1 91 . ARG . 27837 1 92 . MET . 27837 1 93 . ARG . 27837 1 94 . TRP . 27837 1 95 . VAL . 27837 1 96 . PHE . 27837 1 97 . HIS . 27837 1 98 . VAL . 27837 1 99 . LYS . 27837 1 100 . TYR . 27837 1 101 . ARG . 27837 1 102 . GLU . 27837 1 103 . GLY . 27837 1 104 . GLN . 27837 1 105 . GLY . 27837 1 106 . CYS . 27837 1 107 . VAL . 27837 1 108 . GLU . 27837 1 109 . LEU . 27837 1 110 . GLY . 27837 1 111 . PHE . 27837 1 112 . SER . 27837 1 113 . PRO . 27837 1 114 . THR . 27837 1 115 . ILE . 27837 1 116 . ILE . 27837 1 117 . PRO . 27837 1 118 . HIS . 27837 1 119 . LEU . 27837 1 120 . THR . 27837 1 121 . MET . 27837 1 122 . LEU . 27837 1 123 . HIS . 27837 1 124 . LYS . 27837 1 125 . GLU . 27837 1 126 . PHE . 27837 1 127 . THR . 27837 1 128 . SER . 27837 1 129 . TYR . 27837 1 130 . GLN . 27837 1 131 . LEU . 27837 1 132 . LYS . 27837 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27837 1 . VAL 2 2 27837 1 . GLU 3 3 27837 1 . ASN 4 4 27837 1 . GLN 5 5 27837 1 . VAL 6 6 27837 1 . THR 7 7 27837 1 . GLN 8 8 27837 1 . SER 9 9 27837 1 . ASN 10 10 27837 1 . LYS 11 11 27837 1 . LEU 12 12 27837 1 . ILE 13 13 27837 1 . GLU 14 14 27837 1 . SER 15 15 27837 1 . SER 16 16 27837 1 . HIS 17 17 27837 1 . THR 18 18 27837 1 . LEU 19 19 27837 1 . THR 20 20 27837 1 . LEU 21 21 27837 1 . ASN 22 22 27837 1 . GLU 23 23 27837 1 . LYS 24 24 27837 1 . ARG 25 25 27837 1 . LEU 26 26 27837 1 . VAL 27 27 27837 1 . LEU 28 28 27837 1 . CYS 29 29 27837 1 . ALA 30 30 27837 1 . ALA 31 31 27837 1 . SER 32 32 27837 1 . LEU 33 33 27837 1 . ILE 34 34 27837 1 . ASP 35 35 27837 1 . SER 36 36 27837 1 . ARG 37 37 27837 1 . LYS 38 38 27837 1 . PRO 39 39 27837 1 . LEU 40 40 27837 1 . PRO 41 41 27837 1 . LYS 42 42 27837 1 . ASP 43 43 27837 1 . GLY 44 44 27837 1 . TYR 45 45 27837 1 . LEU 46 46 27837 1 . THR 47 47 27837 1 . ILE 48 48 27837 1 . ARG 49 49 27837 1 . ALA 50 50 27837 1 . ASP 51 51 27837 1 . THR 52 52 27837 1 . PHE 53 53 27837 1 . ALA 54 54 27837 1 . GLU 55 55 27837 1 . VAL 56 56 27837 1 . PHE 57 57 27837 1 . GLY 58 58 27837 1 . ILE 59 59 27837 1 . ASP 60 60 27837 1 . VAL 61 61 27837 1 . LYS 62 62 27837 1 . HIS 63 63 27837 1 . ALA 64 64 27837 1 . TYR 65 65 27837 1 . ALA 66 66 27837 1 . ALA 67 67 27837 1 . LEU 68 68 27837 1 . ASP 69 69 27837 1 . ASP 70 70 27837 1 . ALA 71 71 27837 1 . ALA 72 72 27837 1 . THR 73 73 27837 1 . LYS 74 74 27837 1 . LEU 75 75 27837 1 . PHE 76 76 27837 1 . ASN 77 77 27837 1 . ARG 78 78 27837 1 . ASP 79 79 27837 1 . ILE 80 80 27837 1 . ARG 81 81 27837 1 . ARG 82 82 27837 1 . TYR 83 83 27837 1 . VAL 84 84 27837 1 . LYS 85 85 27837 1 . GLY 86 86 27837 1 . LYS 87 87 27837 1 . VAL 88 88 27837 1 . VAL 89 89 27837 1 . GLU 90 90 27837 1 . ARG 91 91 27837 1 . MET 92 92 27837 1 . ARG 93 93 27837 1 . TRP 94 94 27837 1 . VAL 95 95 27837 1 . PHE 96 96 27837 1 . HIS 97 97 27837 1 . VAL 98 98 27837 1 . LYS 99 99 27837 1 . TYR 100 100 27837 1 . ARG 101 101 27837 1 . GLU 102 102 27837 1 . GLY 103 103 27837 1 . GLN 104 104 27837 1 . GLY 105 105 27837 1 . CYS 106 106 27837 1 . VAL 107 107 27837 1 . GLU 108 108 27837 1 . LEU 109 109 27837 1 . GLY 110 110 27837 1 . PHE 111 111 27837 1 . SER 112 112 27837 1 . PRO 113 113 27837 1 . THR 114 114 27837 1 . ILE 115 115 27837 1 . ILE 116 116 27837 1 . PRO 117 117 27837 1 . HIS 118 118 27837 1 . LEU 119 119 27837 1 . THR 120 120 27837 1 . MET 121 121 27837 1 . LEU 122 122 27837 1 . HIS 123 123 27837 1 . LYS 124 124 27837 1 . GLU 125 125 27837 1 . PHE 126 126 27837 1 . THR 127 127 27837 1 . SER 128 128 27837 1 . TYR 129 129 27837 1 . GLN 130 130 27837 1 . LEU 131 131 27837 1 . LYS 132 132 27837 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 27837 _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 $RepA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27837 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 27837 _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 $RepA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pRG-H6-WH1 . . . 27837 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27837 _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 RepA '[U-99% 13C; U-99% 15N]' . . 1 $RepA . . 1.0 . . mM . . . . 27837 1 2 'deuterated acetic acid' 'natural abundance' . . . . . . 1.0 . . mM . . . . 27837 1 3 mQ 'natural abundance' . . . . . . 85 . . % . . . . 27837 1 4 D2O 'natural abundance' . . . . . . 15 . . % . . . . 27837 1 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 27837 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27837 _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' 0.001 . M 27837 1 pH 4.0 . pH 27837 1 pressure 1 . atm 27837 1 temperature 323.15 . K 27837 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27837 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27837 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27837 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27837 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 3.0 _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' . . 27837 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27837 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27837 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version 5.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27837 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 27837 3 . 'peak picking' 27837 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 27837 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equiped with cryoprobe TCI' _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 27837 _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 . 800 'equiped with cryoprobe TCI' . . 27837 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 27837 _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 . . . . . . . . . . . . . . . . 27837 1 2 '3D HNCO trosy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27837 1 3 '3D HN(CA)CO trosy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27837 1 4 '3D HNCA trosy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27837 1 5 '3D HN(CO)CA trosy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27837 1 6 '3D CBCACONH trosy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27837 1 7 '3D HNCACB trosy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27837 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27837 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 27837 _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 . . . . . 27837 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27837 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27837 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 27837 _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 1 '2D 1H-15N HSQC' . . . 27837 1 2 '3D HNCO trosy' . . . 27837 1 3 '3D HN(CA)CO trosy' . . . 27837 1 4 '3D HNCA trosy' . . . 27837 1 5 '3D HN(CO)CA trosy' . . . 27837 1 6 '3D CBCACONH trosy' . . . 27837 1 7 '3D HNCACB trosy' . . . 27837 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.71 . . . . . . . . 1 MET H . 27837 1 2 . 1 . 1 1 1 MET C C 13 175.61 . . . . . . . . 1 MET C . 27837 1 3 . 1 . 1 1 1 MET CA C 13 55.91 . . . . . . . . 1 MET CA . 27837 1 4 . 1 . 1 1 1 MET CB C 13 33.01 . . . . . . . . 1 MET CB . 27837 1 5 . 1 . 1 1 1 MET N N 15 123.30 . . . . . . . . 1 MET N . 27837 1 6 . 1 . 1 2 2 VAL H H 1 8.29 . . . . . . . . 2 VAL H . 27837 1 7 . 1 . 1 2 2 VAL C C 13 175.47 . . . . . . . . 2 VAL C . 27837 1 8 . 1 . 1 2 2 VAL CA C 13 62.60 . . . . . . . . 2 VAL CA . 27837 1 9 . 1 . 1 2 2 VAL CB C 13 32.86 . . . . . . . . 2 VAL CB . 27837 1 10 . 1 . 1 2 2 VAL N N 15 121.71 . . . . . . . . 2 VAL N . 27837 1 11 . 1 . 1 3 3 GLU H H 1 8.55 . . . . . . . . 3 GLU H . 27837 1 12 . 1 . 1 3 3 GLU C C 13 175.43 . . . . . . . . 3 GLU C . 27837 1 13 . 1 . 1 3 3 GLU CA C 13 56.37 . . . . . . . . 3 GLU CA . 27837 1 14 . 1 . 1 3 3 GLU CB C 13 30.21 . . . . . . . . 3 GLU CB . 27837 1 15 . 1 . 1 3 3 GLU N N 15 124.81 . . . . . . . . 3 GLU N . 27837 1 16 . 1 . 1 4 4 ASN H H 1 8.60 . . . . . . . . 4 ASN H . 27837 1 17 . 1 . 1 4 4 ASN C C 13 174.62 . . . . . . . . 4 ASN C . 27837 1 18 . 1 . 1 4 4 ASN CA C 13 53.28 . . . . . . . . 4 ASN CA . 27837 1 19 . 1 . 1 4 4 ASN CB C 13 39.10 . . . . . . . . 4 ASN CB . 27837 1 20 . 1 . 1 4 4 ASN N N 15 121.13 . . . . . . . . 4 ASN N . 27837 1 21 . 1 . 1 5 5 GLN H H 1 8.46 . . . . . . . . 5 GLN H . 27837 1 22 . 1 . 1 5 5 GLN C C 13 176.25 . . . . . . . . 5 GLN C . 27837 1 23 . 1 . 1 5 5 GLN CA C 13 56.87 . . . . . . . . 5 GLN CA . 27837 1 24 . 1 . 1 5 5 GLN CB C 13 32.91 . . . . . . . . 5 GLN CB . 27837 1 25 . 1 . 1 5 5 GLN N N 15 122.37 . . . . . . . . 5 GLN N . 27837 1 26 . 1 . 1 6 6 VAL H H 1 8.33 . . . . . . . . 6 VAL H . 27837 1 27 . 1 . 1 6 6 VAL C C 13 175.99 . . . . . . . . 6 VAL C . 27837 1 28 . 1 . 1 6 6 VAL CA C 13 63.03 . . . . . . . . 6 VAL CA . 27837 1 29 . 1 . 1 6 6 VAL CB C 13 32.68 . . . . . . . . 6 VAL CB . 27837 1 30 . 1 . 1 6 6 VAL N N 15 121.62 . . . . . . . . 6 VAL N . 27837 1 31 . 1 . 1 7 7 THR H H 1 8.31 . . . . . . . . 7 THR H . 27837 1 32 . 1 . 1 7 7 THR C C 13 174.39 . . . . . . . . 7 THR C . 27837 1 33 . 1 . 1 7 7 THR CA C 13 62.38 . . . . . . . . 7 THR CA . 27837 1 34 . 1 . 1 7 7 THR CB C 13 69.84 . . . . . . . . 7 THR CB . 27837 1 35 . 1 . 1 7 7 THR N N 15 117.70 . . . . . . . . 7 THR N . 27837 1 36 . 1 . 1 8 8 GLN H H 1 8.53 . . . . . . . . 8 GLN H . 27837 1 37 . 1 . 1 8 8 GLN C C 13 175.98 . . . . . . . . 8 GLN C . 27837 1 38 . 1 . 1 8 8 GLN CA C 13 56.61 . . . . . . . . 8 GLN CA . 27837 1 39 . 1 . 1 8 8 GLN CB C 13 29.37 . . . . . . . . 8 GLN CB . 27837 1 40 . 1 . 1 8 8 GLN N N 15 122.80 . . . . . . . . 8 GLN N . 27837 1 41 . 1 . 1 9 9 SER H H 1 8.50 . . . . . . . . 9 SER H . 27837 1 42 . 1 . 1 9 9 SER C C 13 174.23 . . . . . . . . 9 SER C . 27837 1 43 . 1 . 1 9 9 SER CA C 13 59.37 . . . . . . . . 9 SER CA . 27837 1 44 . 1 . 1 9 9 SER CB C 13 63.69 . . . . . . . . 9 SER CB . 27837 1 45 . 1 . 1 9 9 SER N N 15 116.92 . . . . . . . . 9 SER N . 27837 1 46 . 1 . 1 10 10 ASN H H 1 8.56 . . . . . . . . 10 ASN H . 27837 1 47 . 1 . 1 10 10 ASN C C 13 175.86 . . . . . . . . 10 ASN C . 27837 1 48 . 1 . 1 10 10 ASN CA C 13 54.36 . . . . . . . . 10 ASN CA . 27837 1 49 . 1 . 1 10 10 ASN CB C 13 38.77 . . . . . . . . 10 ASN CB . 27837 1 50 . 1 . 1 10 10 ASN N N 15 121.61 . . . . . . . . 10 ASN N . 27837 1 51 . 1 . 1 11 11 LYS H H 1 8.55 . . . . . . . . 11 LYS H . 27837 1 52 . 1 . 1 11 11 LYS C C 13 177.57 . . . . . . . . 11 LYS C . 27837 1 53 . 1 . 1 11 11 LYS CA C 13 57.91 . . . . . . . . 11 LYS CA . 27837 1 54 . 1 . 1 11 11 LYS CB C 13 31.55 . . . . . . . . 11 LYS CB . 27837 1 55 . 1 . 1 11 11 LYS N N 15 122.30 . . . . . . . . 11 LYS N . 27837 1 56 . 1 . 1 12 12 LEU H H 1 8.27 . . . . . . . . 12 LEU H . 27837 1 57 . 1 . 1 12 12 LEU C C 13 178.12 . . . . . . . . 12 LEU C . 27837 1 58 . 1 . 1 12 12 LEU CA C 13 57.40 . . . . . . . . 12 LEU CA . 27837 1 59 . 1 . 1 12 12 LEU CB C 13 41.80 . . . . . . . . 12 LEU CB . 27837 1 60 . 1 . 1 12 12 LEU N N 15 122.10 . . . . . . . . 12 LEU N . 27837 1 61 . 1 . 1 13 13 ILE H H 1 8.13 . . . . . . . . 13 ILE H . 27837 1 62 . 1 . 1 13 13 ILE C C 13 178.22 . . . . . . . . 13 ILE C . 27837 1 63 . 1 . 1 13 13 ILE CA C 13 63.63 . . . . . . . . 13 ILE CA . 27837 1 64 . 1 . 1 13 13 ILE CB C 13 37.19 . . . . . . . . 13 ILE CB . 27837 1 65 . 1 . 1 13 13 ILE N N 15 120.52 . . . . . . . . 13 ILE N . 27837 1 66 . 1 . 1 14 14 GLU H H 1 8.56 . . . . . . . . 14 GLU H . 27837 1 67 . 1 . 1 14 14 GLU C C 13 178.42 . . . . . . . . 14 GLU C . 27837 1 68 . 1 . 1 14 14 GLU CA C 13 59.20 . . . . . . . . 14 GLU CA . 27837 1 69 . 1 . 1 14 14 GLU CB C 13 29.62 . . . . . . . . 14 GLU CB . 27837 1 70 . 1 . 1 14 14 GLU N N 15 122.56 . . . . . . . . 14 GLU N . 27837 1 71 . 1 . 1 15 15 SER H H 1 8.47 . . . . . . . . 15 SER H . 27837 1 72 . 1 . 1 15 15 SER C C 13 176.31 . . . . . . . . 15 SER C . 27837 1 73 . 1 . 1 15 15 SER CA C 13 61.27 . . . . . . . . 15 SER CA . 27837 1 74 . 1 . 1 15 15 SER CB C 13 63.91 . . . . . . . . 15 SER CB . 27837 1 75 . 1 . 1 15 15 SER N N 15 115.47 . . . . . . . . 15 SER N . 27837 1 76 . 1 . 1 16 16 SER H H 1 8.73 . . . . . . . . 16 SER H . 27837 1 77 . 1 . 1 16 16 SER C C 13 174.72 . . . . . . . . 16 SER C . 27837 1 78 . 1 . 1 16 16 SER CA C 13 61.34 . . . . . . . . 16 SER CA . 27837 1 79 . 1 . 1 16 16 SER CB C 13 63.41 . . . . . . . . 16 SER CB . 27837 1 80 . 1 . 1 16 16 SER N N 15 118.78 . . . . . . . . 16 SER N . 27837 1 81 . 1 . 1 17 17 HIS C C 13 175.30 . . . . . . . . 17 HIS C . 27837 1 82 . 1 . 1 17 17 HIS CA C 13 57.07 . . . . . . . . 17 HIS CA . 27837 1 83 . 1 . 1 17 17 HIS CB C 13 29.03 . . . . . . . . 17 HIS CB . 27837 1 84 . 1 . 1 18 18 THR H H 1 8.13 . . . . . . . . 18 THR H . 27837 1 85 . 1 . 1 18 18 THR C C 13 173.75 . . . . . . . . 18 THR C . 27837 1 86 . 1 . 1 18 18 THR CA C 13 62.28 . . . . . . . . 18 THR CA . 27837 1 87 . 1 . 1 18 18 THR CB C 13 70.19 . . . . . . . . 18 THR CB . 27837 1 88 . 1 . 1 18 18 THR N N 15 110.81 . . . . . . . . 18 THR N . 27837 1 89 . 1 . 1 19 19 LEU H H 1 7.35 . . . . . . . . 19 LEU H . 27837 1 90 . 1 . 1 19 19 LEU C C 13 177.20 . . . . . . . . 19 LEU C . 27837 1 91 . 1 . 1 19 19 LEU CA C 13 55.18 . . . . . . . . 19 LEU CA . 27837 1 92 . 1 . 1 19 19 LEU CB C 13 43.01 . . . . . . . . 19 LEU CB . 27837 1 93 . 1 . 1 19 19 LEU N N 15 121.20 . . . . . . . . 19 LEU N . 27837 1 94 . 1 . 1 20 20 THR H H 1 8.45 . . . . . . . . 20 THR H . 27837 1 95 . 1 . 1 20 20 THR C C 13 175.26 . . . . . . . . 20 THR C . 27837 1 96 . 1 . 1 20 20 THR CA C 13 62.24 . . . . . . . . 20 THR CA . 27837 1 97 . 1 . 1 20 20 THR CB C 13 27.09 . . . . . . . . 20 THR CB . 27837 1 98 . 1 . 1 20 20 THR N N 15 112.59 . . . . . . . . 20 THR N . 27837 1 99 . 1 . 1 21 21 LEU H H 1 8.91 . . . . . . . . 21 LEU H . 27837 1 100 . 1 . 1 21 21 LEU C C 13 178.42 . . . . . . . . 21 LEU C . 27837 1 101 . 1 . 1 21 21 LEU CA C 13 59.32 . . . . . . . . 21 LEU CA . 27837 1 102 . 1 . 1 21 21 LEU CB C 13 41.56 . . . . . . . . 21 LEU CB . 27837 1 103 . 1 . 1 21 21 LEU N N 15 123.46 . . . . . . . . 21 LEU N . 27837 1 104 . 1 . 1 22 22 ASN H H 1 9.10 . . . . . . . . 22 ASN H . 27837 1 105 . 1 . 1 22 22 ASN C C 13 177.85 . . . . . . . . 22 ASN C . 27837 1 106 . 1 . 1 22 22 ASN CA C 13 56.04 . . . . . . . . 22 ASN CA . 27837 1 107 . 1 . 1 22 22 ASN CB C 13 37.08 . . . . . . . . 22 ASN CB . 27837 1 108 . 1 . 1 22 22 ASN N N 15 114.75 . . . . . . . . 22 ASN N . 27837 1 109 . 1 . 1 23 23 GLU H H 1 7.43 . . . . . . . . 23 GLU H . 27837 1 110 . 1 . 1 23 23 GLU C C 13 177.17 . . . . . . . . 23 GLU C . 27837 1 111 . 1 . 1 23 23 GLU CA C 13 60.73 . . . . . . . . 23 GLU CA . 27837 1 112 . 1 . 1 23 23 GLU CB C 13 32.83 . . . . . . . . 23 GLU CB . 27837 1 113 . 1 . 1 23 23 GLU N N 15 119.80 . . . . . . . . 23 GLU N . 27837 1 114 . 1 . 1 24 24 LYS H H 1 8.62 . . . . . . . . 24 LYS H . 27837 1 115 . 1 . 1 24 24 LYS C C 13 178.00 . . . . . . . . 24 LYS C . 27837 1 116 . 1 . 1 24 24 LYS CA C 13 60.86 . . . . . . . . 24 LYS CA . 27837 1 117 . 1 . 1 24 24 LYS CB C 13 32.75 . . . . . . . . 24 LYS CB . 27837 1 118 . 1 . 1 24 24 LYS N N 15 120.17 . . . . . . . . 24 LYS N . 27837 1 119 . 1 . 1 25 25 ARG H H 1 8.42 . . . . . . . . 25 ARG H . 27837 1 120 . 1 . 1 25 25 ARG C C 13 177.25 . . . . . . . . 25 ARG C . 27837 1 121 . 1 . 1 25 25 ARG CA C 13 59.67 . . . . . . . . 25 ARG CA . 27837 1 122 . 1 . 1 25 25 ARG CB C 13 30.11 . . . . . . . . 25 ARG CB . 27837 1 123 . 1 . 1 25 25 ARG N N 15 117.39 . . . . . . . . 25 ARG N . 27837 1 124 . 1 . 1 26 26 LEU H H 1 8.16 . . . . . . . . 26 LEU H . 27837 1 125 . 1 . 1 26 26 LEU C C 13 177.69 . . . . . . . . 26 LEU C . 27837 1 126 . 1 . 1 26 26 LEU CA C 13 59.66 . . . . . . . . 26 LEU CA . 27837 1 127 . 1 . 1 26 26 LEU CB C 13 42.29 . . . . . . . . 26 LEU CB . 27837 1 128 . 1 . 1 26 26 LEU N N 15 121.47 . . . . . . . . 26 LEU N . 27837 1 129 . 1 . 1 27 27 VAL H H 1 8.45 . . . . . . . . 27 VAL H . 27837 1 130 . 1 . 1 27 27 VAL C C 13 176.98 . . . . . . . . 27 VAL C . 27837 1 131 . 1 . 1 27 27 VAL CA C 13 67.66 . . . . . . . . 27 VAL CA . 27837 1 132 . 1 . 1 27 27 VAL CB C 13 30.90 . . . . . . . . 27 VAL CB . 27837 1 133 . 1 . 1 27 27 VAL N N 15 119.57 . . . . . . . . 27 VAL N . 27837 1 134 . 1 . 1 28 28 LEU H H 1 8.75 . . . . . . . . 28 LEU H . 27837 1 135 . 1 . 1 28 28 LEU C C 13 179.15 . . . . . . . . 28 LEU C . 27837 1 136 . 1 . 1 28 28 LEU CA C 13 58.67 . . . . . . . . 28 LEU CA . 27837 1 137 . 1 . 1 28 28 LEU CB C 13 41.69 . . . . . . . . 28 LEU CB . 27837 1 138 . 1 . 1 28 28 LEU N N 15 121.36 . . . . . . . . 28 LEU N . 27837 1 139 . 1 . 1 29 29 CYS H H 1 8.89 . . . . . . . . 29 CYS H . 27837 1 140 . 1 . 1 29 29 CYS C C 13 177.10 . . . . . . . . 29 CYS C . 27837 1 141 . 1 . 1 29 29 CYS CA C 13 64.05 . . . . . . . . 29 CYS CA . 27837 1 142 . 1 . 1 29 29 CYS CB C 13 27.13 . . . . . . . . 29 CYS CB . 27837 1 143 . 1 . 1 29 29 CYS N N 15 120.02 . . . . . . . . 29 CYS N . 27837 1 144 . 1 . 1 30 30 ALA H H 1 8.81 . . . . . . . . 30 ALA H . 27837 1 145 . 1 . 1 30 30 ALA C C 13 177.74 . . . . . . . . 30 ALA C . 27837 1 146 . 1 . 1 30 30 ALA CA C 13 55.38 . . . . . . . . 30 ALA CA . 27837 1 147 . 1 . 1 30 30 ALA CB C 13 18.57 . . . . . . . . 30 ALA CB . 27837 1 148 . 1 . 1 30 30 ALA N N 15 123.35 . . . . . . . . 30 ALA N . 27837 1 149 . 1 . 1 31 31 ALA H H 1 8.81 . . . . . . . . 31 ALA H . 27837 1 150 . 1 . 1 31 31 ALA C C 13 179.04 . . . . . . . . 31 ALA C . 27837 1 151 . 1 . 1 31 31 ALA CA C 13 54.62 . . . . . . . . 31 ALA CA . 27837 1 152 . 1 . 1 31 31 ALA CB C 13 18.82 . . . . . . . . 31 ALA CB . 27837 1 153 . 1 . 1 31 31 ALA N N 15 118.12 . . . . . . . . 31 ALA N . 27837 1 154 . 1 . 1 32 32 SER H H 1 8.20 . . . . . . . . 32 SER H . 27837 1 155 . 1 . 1 32 32 SER C C 13 174.48 . . . . . . . . 32 SER C . 27837 1 156 . 1 . 1 32 32 SER CA C 13 61.09 . . . . . . . . 32 SER CA . 27837 1 157 . 1 . 1 32 32 SER CB C 13 63.61 . . . . . . . . 32 SER CB . 27837 1 158 . 1 . 1 32 32 SER N N 15 113.42 . . . . . . . . 32 SER N . 27837 1 159 . 1 . 1 33 33 LEU H H 1 7.80 . . . . . . . . 33 LEU H . 27837 1 160 . 1 . 1 33 33 LEU C C 13 177.43 . . . . . . . . 33 LEU C . 27837 1 161 . 1 . 1 33 33 LEU CA C 13 56.07 . . . . . . . . 33 LEU CA . 27837 1 162 . 1 . 1 33 33 LEU CB C 13 42.68 . . . . . . . . 33 LEU CB . 27837 1 163 . 1 . 1 33 33 LEU N N 15 121.78 . . . . . . . . 33 LEU N . 27837 1 164 . 1 . 1 34 34 ILE H H 1 7.59 . . . . . . . . 34 ILE H . 27837 1 165 . 1 . 1 34 34 ILE C C 13 174.64 . . . . . . . . 34 ILE C . 27837 1 166 . 1 . 1 34 34 ILE CA C 13 61.21 . . . . . . . . 34 ILE CA . 27837 1 167 . 1 . 1 34 34 ILE CB C 13 37.96 . . . . . . . . 34 ILE CB . 27837 1 168 . 1 . 1 34 34 ILE N N 15 119.84 . . . . . . . . 34 ILE N . 27837 1 169 . 1 . 1 35 35 ASP H H 1 8.28 . . . . . . . . 35 ASP H . 27837 1 170 . 1 . 1 35 35 ASP C C 13 176.42 . . . . . . . . 35 ASP C . 27837 1 171 . 1 . 1 35 35 ASP CA C 13 53.28 . . . . . . . . 35 ASP CA . 27837 1 172 . 1 . 1 35 35 ASP CB C 13 42.22 . . . . . . . . 35 ASP CB . 27837 1 173 . 1 . 1 35 35 ASP N N 15 125.20 . . . . . . . . 35 ASP N . 27837 1 174 . 1 . 1 36 36 SER H H 1 8.57 . . . . . . . . 36 SER H . 27837 1 175 . 1 . 1 36 36 SER C C 13 174.32 . . . . . . . . 36 SER C . 27837 1 176 . 1 . 1 36 36 SER CA C 13 60.22 . . . . . . . . 36 SER CA . 27837 1 177 . 1 . 1 36 36 SER CB C 13 63.82 . . . . . . . . 36 SER CB . 27837 1 178 . 1 . 1 36 36 SER N N 15 119.22 . . . . . . . . 36 SER N . 27837 1 179 . 1 . 1 37 37 ARG H H 1 8.70 . . . . . . . . 37 ARG H . 27837 1 180 . 1 . 1 37 37 ARG C C 13 175.58 . . . . . . . . 37 ARG C . 27837 1 181 . 1 . 1 37 37 ARG CA C 13 56.84 . . . . . . . . 37 ARG CA . 27837 1 182 . 1 . 1 37 37 ARG CB C 13 30.16 . . . . . . . . 37 ARG CB . 27837 1 183 . 1 . 1 37 37 ARG N N 15 120.36 . . . . . . . . 37 ARG N . 27837 1 184 . 1 . 1 38 38 LYS H H 1 8.05 . . . . . . . . 38 LYS H . 27837 1 185 . 1 . 1 38 38 LYS C C 13 173.12 . . . . . . . . 38 LYS C . 27837 1 186 . 1 . 1 38 38 LYS CA C 13 54.03 . . . . . . . . 38 LYS CA . 27837 1 187 . 1 . 1 38 38 LYS CB C 13 33.09 . . . . . . . . 38 LYS CB . 27837 1 188 . 1 . 1 38 38 LYS N N 15 121.31 . . . . . . . . 38 LYS N . 27837 1 189 . 1 . 1 39 39 PRO C C 13 176.49 . . . . . . . . 39 PRO C . 27837 1 190 . 1 . 1 39 39 PRO CA C 13 63.13 . . . . . . . . 39 PRO CA . 27837 1 191 . 1 . 1 39 39 PRO CB C 13 32.49 . . . . . . . . 39 PRO CB . 27837 1 192 . 1 . 1 40 40 LEU H H 1 8.53 . . . . . . . . 40 LEU H . 27837 1 193 . 1 . 1 40 40 LEU C C 13 174.96 . . . . . . . . 40 LEU C . 27837 1 194 . 1 . 1 40 40 LEU CA C 13 53.36 . . . . . . . . 40 LEU CA . 27837 1 195 . 1 . 1 40 40 LEU CB C 13 41.44 . . . . . . . . 40 LEU CB . 27837 1 196 . 1 . 1 40 40 LEU N N 15 124.94 . . . . . . . . 40 LEU N . 27837 1 197 . 1 . 1 41 41 PRO C C 13 177.35 . . . . . . . . 41 PRO C . 27837 1 198 . 1 . 1 41 41 PRO CA C 13 63.12 . . . . . . . . 41 PRO CA . 27837 1 199 . 1 . 1 41 41 PRO CB C 13 32.48 . . . . . . . . 41 PRO CB . 27837 1 200 . 1 . 1 42 42 LYS H H 1 8.76 . . . . . . . . 42 LYS H . 27837 1 201 . 1 . 1 42 42 LYS C C 13 176.81 . . . . . . . . 42 LYS C . 27837 1 202 . 1 . 1 42 42 LYS CA C 13 58.27 . . . . . . . . 42 LYS CA . 27837 1 203 . 1 . 1 42 42 LYS CB C 13 32.28 . . . . . . . . 42 LYS CB . 27837 1 204 . 1 . 1 42 42 LYS N N 15 125.06 . . . . . . . . 42 LYS N . 27837 1 205 . 1 . 1 43 43 ASP H H 1 8.90 . . . . . . . . 43 ASP H . 27837 1 206 . 1 . 1 43 43 ASP C C 13 174.74 . . . . . . . . 43 ASP C . 27837 1 207 . 1 . 1 43 43 ASP CA C 13 55.17 . . . . . . . . 43 ASP CA . 27837 1 208 . 1 . 1 43 43 ASP CB C 13 40.36 . . . . . . . . 43 ASP CB . 27837 1 209 . 1 . 1 43 43 ASP N N 15 120.21 . . . . . . . . 43 ASP N . 27837 1 210 . 1 . 1 44 44 GLY H H 1 8.26 . . . . . . . . 44 GLY H . 27837 1 211 . 1 . 1 44 44 GLY C C 13 173.69 . . . . . . . . 44 GLY C . 27837 1 212 . 1 . 1 44 44 GLY CA C 13 46.40 . . . . . . . . 44 GLY CA . 27837 1 213 . 1 . 1 44 44 GLY N N 15 104.84 . . . . . . . . 44 GLY N . 27837 1 214 . 1 . 1 45 45 TYR H H 1 7.75 . . . . . . . . 45 TYR H . 27837 1 215 . 1 . 1 45 45 TYR C C 13 175.63 . . . . . . . . 45 TYR C . 27837 1 216 . 1 . 1 45 45 TYR CA C 13 58.68 . . . . . . . . 45 TYR CA . 27837 1 217 . 1 . 1 45 45 TYR CB C 13 39.76 . . . . . . . . 45 TYR CB . 27837 1 218 . 1 . 1 45 45 TYR N N 15 119.07 . . . . . . . . 45 TYR N . 27837 1 219 . 1 . 1 46 46 LEU H H 1 9.19 . . . . . . . . 46 LEU H . 27837 1 220 . 1 . 1 46 46 LEU C C 13 175.27 . . . . . . . . 46 LEU C . 27837 1 221 . 1 . 1 46 46 LEU CA C 13 53.87 . . . . . . . . 46 LEU CA . 27837 1 222 . 1 . 1 46 46 LEU CB C 13 46.74 . . . . . . . . 46 LEU CB . 27837 1 223 . 1 . 1 46 46 LEU N N 15 122.43 . . . . . . . . 46 LEU N . 27837 1 224 . 1 . 1 47 47 THR H H 1 8.79 . . . . . . . . 47 THR H . 27837 1 225 . 1 . 1 47 47 THR C C 13 172.82 . . . . . . . . 47 THR C . 27837 1 226 . 1 . 1 47 47 THR CA C 13 62.91 . . . . . . . . 47 THR CA . 27837 1 227 . 1 . 1 47 47 THR CB C 13 69.59 . . . . . . . . 47 THR CB . 27837 1 228 . 1 . 1 47 47 THR N N 15 120.99 . . . . . . . . 47 THR N . 27837 1 229 . 1 . 1 48 48 ILE H H 1 9.15 . . . . . . . . 48 ILE H . 27837 1 230 . 1 . 1 48 48 ILE C C 13 174.32 . . . . . . . . 48 ILE C . 27837 1 231 . 1 . 1 48 48 ILE CA C 13 59.59 . . . . . . . . 48 ILE CA . 27837 1 232 . 1 . 1 48 48 ILE CB C 13 38.71 . . . . . . . . 48 ILE CB . 27837 1 233 . 1 . 1 48 48 ILE N N 15 127.76 . . . . . . . . 48 ILE N . 27837 1 234 . 1 . 1 49 49 ARG H H 1 8.89 . . . . . . . . 49 ARG H . 27837 1 235 . 1 . 1 49 49 ARG C C 13 176.80 . . . . . . . . 49 ARG C . 27837 1 236 . 1 . 1 49 49 ARG CA C 13 55.64 . . . . . . . . 49 ARG CA . 27837 1 237 . 1 . 1 49 49 ARG CB C 13 32.03 . . . . . . . . 49 ARG CB . 27837 1 238 . 1 . 1 49 49 ARG N N 15 126.93 . . . . . . . . 49 ARG N . 27837 1 239 . 1 . 1 50 50 ALA H H 1 9.31 . . . . . . . . 50 ALA H . 27837 1 240 . 1 . 1 50 50 ALA C C 13 178.04 . . . . . . . . 50 ALA C . 27837 1 241 . 1 . 1 50 50 ALA CA C 13 55.59 . . . . . . . . 50 ALA CA . 27837 1 242 . 1 . 1 50 50 ALA CB C 13 18.13 . . . . . . . . 50 ALA CB . 27837 1 243 . 1 . 1 50 50 ALA N N 15 125.89 . . . . . . . . 50 ALA N . 27837 1 244 . 1 . 1 51 51 ASP H H 1 9.21 . . . . . . . . 51 ASP H . 27837 1 245 . 1 . 1 51 51 ASP C C 13 178.15 . . . . . . . . 51 ASP C . 27837 1 246 . 1 . 1 51 51 ASP CA C 13 57.22 . . . . . . . . 51 ASP CA . 27837 1 247 . 1 . 1 51 51 ASP CB C 13 38.93 . . . . . . . . 51 ASP CB . 27837 1 248 . 1 . 1 51 51 ASP N N 15 116.85 . . . . . . . . 51 ASP N . 27837 1 249 . 1 . 1 52 52 THR H H 1 8.00 . . . . . . . . 52 THR H . 27837 1 250 . 1 . 1 52 52 THR C C 13 174.85 . . . . . . . . 52 THR C . 27837 1 251 . 1 . 1 52 52 THR CA C 13 66.30 . . . . . . . . 52 THR CA . 27837 1 252 . 1 . 1 52 52 THR CB C 13 69.33 . . . . . . . . 52 THR CB . 27837 1 253 . 1 . 1 52 52 THR N N 15 119.64 . . . . . . . . 52 THR N . 27837 1 254 . 1 . 1 53 53 PHE H H 1 8.22 . . . . . . . . 53 PHE H . 27837 1 255 . 1 . 1 53 53 PHE C C 13 176.17 . . . . . . . . 53 PHE C . 27837 1 256 . 1 . 1 53 53 PHE CA C 13 61.82 . . . . . . . . 53 PHE CA . 27837 1 257 . 1 . 1 53 53 PHE CB C 13 40.89 . . . . . . . . 53 PHE CB . 27837 1 258 . 1 . 1 53 53 PHE N N 15 123.32 . . . . . . . . 53 PHE N . 27837 1 259 . 1 . 1 54 54 ALA H H 1 8.84 . . . . . . . . 54 ALA H . 27837 1 260 . 1 . 1 54 54 ALA C C 13 179.43 . . . . . . . . 54 ALA C . 27837 1 261 . 1 . 1 54 54 ALA CA C 13 55.29 . . . . . . . . 54 ALA CA . 27837 1 262 . 1 . 1 54 54 ALA CB C 13 18.84 . . . . . . . . 54 ALA CB . 27837 1 263 . 1 . 1 54 54 ALA N N 15 119.13 . . . . . . . . 54 ALA N . 27837 1 264 . 1 . 1 55 55 GLU H H 1 8.15 . . . . . . . . 55 GLU H . 27837 1 265 . 1 . 1 55 55 GLU C C 13 178.50 . . . . . . . . 55 GLU C . 27837 1 266 . 1 . 1 55 55 GLU CA C 13 58.78 . . . . . . . . 55 GLU CA . 27837 1 267 . 1 . 1 55 55 GLU CB C 13 28.62 . . . . . . . . 55 GLU CB . 27837 1 268 . 1 . 1 55 55 GLU N N 15 117.39 . . . . . . . . 55 GLU N . 27837 1 269 . 1 . 1 56 56 VAL H H 1 8.42 . . . . . . . . 56 VAL H . 27837 1 270 . 1 . 1 56 56 VAL C C 13 177.00 . . . . . . . . 56 VAL C . 27837 1 271 . 1 . 1 56 56 VAL CA C 13 65.58 . . . . . . . . 56 VAL CA . 27837 1 272 . 1 . 1 56 56 VAL CB C 13 32.16 . . . . . . . . 56 VAL CB . 27837 1 273 . 1 . 1 56 56 VAL N N 15 118.58 . . . . . . . . 56 VAL N . 27837 1 274 . 1 . 1 57 57 PHE H H 1 7.41 . . . . . . . . 57 PHE H . 27837 1 275 . 1 . 1 57 57 PHE C C 13 174.87 . . . . . . . . 57 PHE C . 27837 1 276 . 1 . 1 57 57 PHE CA C 13 58.48 . . . . . . . . 57 PHE CA . 27837 1 277 . 1 . 1 57 57 PHE CB C 13 38.95 . . . . . . . . 57 PHE CB . 27837 1 278 . 1 . 1 57 57 PHE N N 15 113.53 . . . . . . . . 57 PHE N . 27837 1 279 . 1 . 1 58 58 GLY H H 1 8.03 . . . . . . . . 58 GLY H . 27837 1 280 . 1 . 1 58 58 GLY C C 13 174.35 . . . . . . . . 58 GLY C . 27837 1 281 . 1 . 1 58 58 GLY CA C 13 47.26 . . . . . . . . 58 GLY CA . 27837 1 282 . 1 . 1 58 58 GLY N N 15 110.76 . . . . . . . . 58 GLY N . 27837 1 283 . 1 . 1 59 59 ILE H H 1 7.92 . . . . . . . . 59 ILE H . 27837 1 284 . 1 . 1 59 59 ILE C C 13 174.23 . . . . . . . . 59 ILE C . 27837 1 285 . 1 . 1 59 59 ILE CA C 13 60.02 . . . . . . . . 59 ILE CA . 27837 1 286 . 1 . 1 59 59 ILE CB C 13 41.26 . . . . . . . . 59 ILE CB . 27837 1 287 . 1 . 1 59 59 ILE N N 15 118.63 . . . . . . . . 59 ILE N . 27837 1 288 . 1 . 1 60 60 ASP H H 1 8.45 . . . . . . . . 60 ASP H . 27837 1 289 . 1 . 1 60 60 ASP C C 13 177.73 . . . . . . . . 60 ASP C . 27837 1 290 . 1 . 1 60 60 ASP CA C 13 54.53 . . . . . . . . 60 ASP CA . 27837 1 291 . 1 . 1 60 60 ASP CB C 13 42.32 . . . . . . . . 60 ASP CB . 27837 1 292 . 1 . 1 60 60 ASP N N 15 123.71 . . . . . . . . 60 ASP N . 27837 1 293 . 1 . 1 61 61 VAL H H 1 8.80 . . . . . . . . 61 VAL H . 27837 1 294 . 1 . 1 61 61 VAL C C 13 177.28 . . . . . . . . 61 VAL C . 27837 1 295 . 1 . 1 61 61 VAL CA C 13 65.98 . . . . . . . . 61 VAL CA . 27837 1 296 . 1 . 1 61 61 VAL CB C 13 31.95 . . . . . . . . 61 VAL CB . 27837 1 297 . 1 . 1 61 61 VAL N N 15 124.41 . . . . . . . . 61 VAL N . 27837 1 298 . 1 . 1 62 62 LYS H H 1 8.53 . . . . . . . . 62 LYS H . 27837 1 299 . 1 . 1 62 62 LYS C C 13 177.86 . . . . . . . . 62 LYS C . 27837 1 300 . 1 . 1 62 62 LYS CA C 13 58.92 . . . . . . . . 62 LYS CA . 27837 1 301 . 1 . 1 62 62 LYS CB C 13 31.48 . . . . . . . . 62 LYS CB . 27837 1 302 . 1 . 1 62 62 LYS N N 15 120.89 . . . . . . . . 62 LYS N . 27837 1 303 . 1 . 1 63 63 HIS H H 1 8.31 . . . . . . . . 63 HIS H . 27837 1 304 . 1 . 1 63 63 HIS C C 13 175.23 . . . . . . . . 63 HIS C . 27837 1 305 . 1 . 1 63 63 HIS CA C 13 56.52 . . . . . . . . 63 HIS CA . 27837 1 306 . 1 . 1 63 63 HIS CB C 13 29.21 . . . . . . . . 63 HIS CB . 27837 1 307 . 1 . 1 63 63 HIS N N 15 116.05 . . . . . . . . 63 HIS N . 27837 1 308 . 1 . 1 64 64 ALA H H 1 8.18 . . . . . . . . 64 ALA H . 27837 1 309 . 1 . 1 64 64 ALA C C 13 177.74 . . . . . . . . 64 ALA C . 27837 1 310 . 1 . 1 64 64 ALA CA C 13 56.15 . . . . . . . . 64 ALA CA . 27837 1 311 . 1 . 1 64 64 ALA CB C 13 20.10 . . . . . . . . 64 ALA CB . 27837 1 312 . 1 . 1 64 64 ALA N N 15 124.71 . . . . . . . . 64 ALA N . 27837 1 313 . 1 . 1 65 65 TYR H H 1 9.10 . . . . . . . . 65 TYR H . 27837 1 314 . 1 . 1 65 65 TYR C C 13 175.98 . . . . . . . . 65 TYR C . 27837 1 315 . 1 . 1 65 65 TYR CA C 13 63.41 . . . . . . . . 65 TYR CA . 27837 1 316 . 1 . 1 65 65 TYR CB C 13 37.40 . . . . . . . . 65 TYR CB . 27837 1 317 . 1 . 1 65 65 TYR N N 15 119.10 . . . . . . . . 65 TYR N . 27837 1 318 . 1 . 1 66 66 ALA H H 1 8.32 . . . . . . . . 66 ALA H . 27837 1 319 . 1 . 1 66 66 ALA C C 13 180.08 . . . . . . . . 66 ALA C . 27837 1 320 . 1 . 1 66 66 ALA CA C 13 55.15 . . . . . . . . 66 ALA CA . 27837 1 321 . 1 . 1 66 66 ALA CB C 13 17.68 . . . . . . . . 66 ALA CB . 27837 1 322 . 1 . 1 66 66 ALA N N 15 121.90 . . . . . . . . 66 ALA N . 27837 1 323 . 1 . 1 67 67 ALA H H 1 7.89 . . . . . . . . 67 ALA H . 27837 1 324 . 1 . 1 67 67 ALA C C 13 178.82 . . . . . . . . 67 ALA C . 27837 1 325 . 1 . 1 67 67 ALA CA C 13 54.74 . . . . . . . . 67 ALA CA . 27837 1 326 . 1 . 1 67 67 ALA CB C 13 18.20 . . . . . . . . 67 ALA CB . 27837 1 327 . 1 . 1 67 67 ALA N N 15 120.92 . . . . . . . . 67 ALA N . 27837 1 328 . 1 . 1 68 68 LEU H H 1 7.99 . . . . . . . . 68 LEU H . 27837 1 329 . 1 . 1 68 68 LEU C C 13 176.97 . . . . . . . . 68 LEU C . 27837 1 330 . 1 . 1 68 68 LEU CA C 13 57.77 . . . . . . . . 68 LEU CA . 27837 1 331 . 1 . 1 68 68 LEU CB C 13 42.50 . . . . . . . . 68 LEU CB . 27837 1 332 . 1 . 1 68 68 LEU N N 15 121.81 . . . . . . . . 68 LEU N . 27837 1 333 . 1 . 1 69 69 ASP H H 1 8.75 . . . . . . . . 69 ASP H . 27837 1 334 . 1 . 1 69 69 ASP C C 13 177.78 . . . . . . . . 69 ASP C . 27837 1 335 . 1 . 1 69 69 ASP CA C 13 57.37 . . . . . . . . 69 ASP CA . 27837 1 336 . 1 . 1 69 69 ASP CB C 13 40.76 . . . . . . . . 69 ASP CB . 27837 1 337 . 1 . 1 69 69 ASP N N 15 119.70 . . . . . . . . 69 ASP N . 27837 1 338 . 1 . 1 70 70 ASP H H 1 8.14 . . . . . . . . 70 ASP H . 27837 1 339 . 1 . 1 70 70 ASP C C 13 176.98 . . . . . . . . 70 ASP C . 27837 1 340 . 1 . 1 70 70 ASP CA C 13 58.04 . . . . . . . . 70 ASP CA . 27837 1 341 . 1 . 1 70 70 ASP CB C 13 42.67 . . . . . . . . 70 ASP CB . 27837 1 342 . 1 . 1 70 70 ASP N N 15 120.46 . . . . . . . . 70 ASP N . 27837 1 343 . 1 . 1 71 71 ALA H H 1 8.50 . . . . . . . . 71 ALA H . 27837 1 344 . 1 . 1 71 71 ALA C C 13 178.18 . . . . . . . . 71 ALA C . 27837 1 345 . 1 . 1 71 71 ALA CA C 13 55.03 . . . . . . . . 71 ALA CA . 27837 1 346 . 1 . 1 71 71 ALA CB C 13 19.47 . . . . . . . . 71 ALA CB . 27837 1 347 . 1 . 1 71 71 ALA N N 15 120.55 . . . . . . . . 71 ALA N . 27837 1 348 . 1 . 1 72 72 ALA H H 1 8.91 . . . . . . . . 72 ALA H . 27837 1 349 . 1 . 1 72 72 ALA C C 13 178.15 . . . . . . . . 72 ALA C . 27837 1 350 . 1 . 1 72 72 ALA CA C 13 54.99 . . . . . . . . 72 ALA CA . 27837 1 351 . 1 . 1 72 72 ALA CB C 13 18.77 . . . . . . . . 72 ALA CB . 27837 1 352 . 1 . 1 72 72 ALA N N 15 120.02 . . . . . . . . 72 ALA N . 27837 1 353 . 1 . 1 73 73 THR H H 1 8.42 . . . . . . . . 73 THR H . 27837 1 354 . 1 . 1 73 73 THR C C 13 175.38 . . . . . . . . 73 THR C . 27837 1 355 . 1 . 1 73 73 THR CA C 13 67.26 . . . . . . . . 73 THR CA . 27837 1 356 . 1 . 1 73 73 THR CB C 13 69.23 . . . . . . . . 73 THR CB . 27837 1 357 . 1 . 1 73 73 THR N N 15 115.71 . . . . . . . . 73 THR N . 27837 1 358 . 1 . 1 74 74 LYS H H 1 8.60 . . . . . . . . 74 LYS H . 27837 1 359 . 1 . 1 74 74 LYS C C 13 179.55 . . . . . . . . 74 LYS C . 27837 1 360 . 1 . 1 74 74 LYS CA C 13 60.79 . . . . . . . . 74 LYS CA . 27837 1 361 . 1 . 1 74 74 LYS CB C 13 32.98 . . . . . . . . 74 LYS CB . 27837 1 362 . 1 . 1 74 74 LYS N N 15 122.12 . . . . . . . . 74 LYS N . 27837 1 363 . 1 . 1 75 75 LEU H H 1 8.76 . . . . . . . . 75 LEU H . 27837 1 364 . 1 . 1 75 75 LEU C C 13 180.04 . . . . . . . . 75 LEU C . 27837 1 365 . 1 . 1 75 75 LEU CA C 13 58.01 . . . . . . . . 75 LEU CA . 27837 1 366 . 1 . 1 75 75 LEU CB C 13 42.55 . . . . . . . . 75 LEU CB . 27837 1 367 . 1 . 1 75 75 LEU N N 15 121.66 . . . . . . . . 75 LEU N . 27837 1 368 . 1 . 1 76 76 PHE H H 1 8.53 . . . . . . . . 76 PHE H . 27837 1 369 . 1 . 1 76 76 PHE C C 13 176.14 . . . . . . . . 76 PHE C . 27837 1 370 . 1 . 1 76 76 PHE CA C 13 61.36 . . . . . . . . 76 PHE CA . 27837 1 371 . 1 . 1 76 76 PHE CB C 13 39.31 . . . . . . . . 76 PHE CB . 27837 1 372 . 1 . 1 76 76 PHE N N 15 120.72 . . . . . . . . 76 PHE N . 27837 1 373 . 1 . 1 77 77 ASN H H 1 8.05 . . . . . . . . 77 ASN H . 27837 1 374 . 1 . 1 77 77 ASN C C 13 174.99 . . . . . . . . 77 ASN C . 27837 1 375 . 1 . 1 77 77 ASN CA C 13 53.88 . . . . . . . . 77 ASN CA . 27837 1 376 . 1 . 1 77 77 ASN CB C 13 39.35 . . . . . . . . 77 ASN CB . 27837 1 377 . 1 . 1 77 77 ASN N N 15 117.62 . . . . . . . . 77 ASN N . 27837 1 378 . 1 . 1 78 78 ARG H H 1 7.65 . . . . . . . . 78 ARG H . 27837 1 379 . 1 . 1 78 78 ARG C C 13 176.99 . . . . . . . . 78 ARG C . 27837 1 380 . 1 . 1 78 78 ARG CA C 13 56.19 . . . . . . . . 78 ARG CA . 27837 1 381 . 1 . 1 78 78 ARG CB C 13 31.95 . . . . . . . . 78 ARG CB . 27837 1 382 . 1 . 1 78 78 ARG N N 15 119.27 . . . . . . . . 78 ARG N . 27837 1 383 . 1 . 1 79 79 ASP H H 1 9.16 . . . . . . . . 79 ASP H . 27837 1 384 . 1 . 1 79 79 ASP C C 13 173.71 . . . . . . . . 79 ASP C . 27837 1 385 . 1 . 1 79 79 ASP CA C 13 52.91 . . . . . . . . 79 ASP CA . 27837 1 386 . 1 . 1 79 79 ASP CB C 13 44.12 . . . . . . . . 79 ASP CB . 27837 1 387 . 1 . 1 79 79 ASP N N 15 123.01 . . . . . . . . 79 ASP N . 27837 1 388 . 1 . 1 80 80 ILE H H 1 9.38 . . . . . . . . 80 ILE H . 27837 1 389 . 1 . 1 80 80 ILE C C 13 174.94 . . . . . . . . 80 ILE C . 27837 1 390 . 1 . 1 80 80 ILE CA C 13 61.75 . . . . . . . . 80 ILE CA . 27837 1 391 . 1 . 1 80 80 ILE CB C 13 39.98 . . . . . . . . 80 ILE CB . 27837 1 392 . 1 . 1 80 80 ILE N N 15 125.24 . . . . . . . . 80 ILE N . 27837 1 393 . 1 . 1 81 81 ARG H H 1 8.84 . . . . . . . . 81 ARG H . 27837 1 394 . 1 . 1 81 81 ARG C C 13 174.55 . . . . . . . . 81 ARG C . 27837 1 395 . 1 . 1 81 81 ARG CA C 13 54.64 . . . . . . . . 81 ARG CA . 27837 1 396 . 1 . 1 81 81 ARG CB C 13 34.59 . . . . . . . . 81 ARG CB . 27837 1 397 . 1 . 1 81 81 ARG N N 15 126.60 . . . . . . . . 81 ARG N . 27837 1 398 . 1 . 1 82 82 ARG H H 1 8.24 . . . . . . . . 82 ARG H . 27837 1 399 . 1 . 1 82 82 ARG C C 13 174.09 . . . . . . . . 82 ARG C . 27837 1 400 . 1 . 1 82 82 ARG CA C 13 55.17 . . . . . . . . 82 ARG CA . 27837 1 401 . 1 . 1 82 82 ARG CB C 13 34.20 . . . . . . . . 82 ARG CB . 27837 1 402 . 1 . 1 82 82 ARG N N 15 121.15 . . . . . . . . 82 ARG N . 27837 1 403 . 1 . 1 83 83 TYR H H 1 9.25 . . . . . . . . 83 TYR H . 27837 1 404 . 1 . 1 83 83 TYR C C 13 176.15 . . . . . . . . 83 TYR C . 27837 1 405 . 1 . 1 83 83 TYR CA C 13 57.14 . . . . . . . . 83 TYR CA . 27837 1 406 . 1 . 1 83 83 TYR CB C 13 42.30 . . . . . . . . 83 TYR CB . 27837 1 407 . 1 . 1 83 83 TYR N N 15 126.17 . . . . . . . . 83 TYR N . 27837 1 408 . 1 . 1 84 84 VAL H H 1 9.25 . . . . . . . . 84 VAL H . 27837 1 409 . 1 . 1 84 84 VAL C C 13 175.77 . . . . . . . . 84 VAL C . 27837 1 410 . 1 . 1 84 84 VAL CA C 13 63.15 . . . . . . . . 84 VAL CA . 27837 1 411 . 1 . 1 84 84 VAL CB C 13 35.00 . . . . . . . . 84 VAL CB . 27837 1 412 . 1 . 1 84 84 VAL N N 15 122.34 . . . . . . . . 84 VAL N . 27837 1 413 . 1 . 1 85 85 LYS H H 1 9.76 . . . . . . . . 85 LYS H . 27837 1 414 . 1 . 1 85 85 LYS C C 13 175.95 . . . . . . . . 85 LYS C . 27837 1 415 . 1 . 1 85 85 LYS CA C 13 57.56 . . . . . . . . 85 LYS CA . 27837 1 416 . 1 . 1 85 85 LYS CB C 13 30.36 . . . . . . . . 85 LYS CB . 27837 1 417 . 1 . 1 85 85 LYS N N 15 128.91 . . . . . . . . 85 LYS N . 27837 1 418 . 1 . 1 86 86 GLY H H 1 8.79 . . . . . . . . 86 GLY H . 27837 1 419 . 1 . 1 86 86 GLY C C 13 173.29 . . . . . . . . 86 GLY C . 27837 1 420 . 1 . 1 86 86 GLY CA C 13 45.62 . . . . . . . . 86 GLY CA . 27837 1 421 . 1 . 1 86 86 GLY N N 15 104.14 . . . . . . . . 86 GLY N . 27837 1 422 . 1 . 1 87 87 LYS H H 1 8.19 . . . . . . . . 87 LYS H . 27837 1 423 . 1 . 1 87 87 LYS C C 13 175.09 . . . . . . . . 87 LYS C . 27837 1 424 . 1 . 1 87 87 LYS CA C 13 54.37 . . . . . . . . 87 LYS CA . 27837 1 425 . 1 . 1 87 87 LYS CB C 13 34.88 . . . . . . . . 87 LYS CB . 27837 1 426 . 1 . 1 87 87 LYS N N 15 121.80 . . . . . . . . 87 LYS N . 27837 1 427 . 1 . 1 88 88 VAL H H 1 8.77 . . . . . . . . 88 VAL H . 27837 1 428 . 1 . 1 88 88 VAL C C 13 176.03 . . . . . . . . 88 VAL C . 27837 1 429 . 1 . 1 88 88 VAL CA C 13 63.51 . . . . . . . . 88 VAL CA . 27837 1 430 . 1 . 1 88 88 VAL CB C 13 31.87 . . . . . . . . 88 VAL CB . 27837 1 431 . 1 . 1 88 88 VAL N N 15 124.61 . . . . . . . . 88 VAL N . 27837 1 432 . 1 . 1 89 89 VAL H H 1 8.96 . . . . . . . . 89 VAL H . 27837 1 433 . 1 . 1 89 89 VAL C C 13 175.96 . . . . . . . . 89 VAL C . 27837 1 434 . 1 . 1 89 89 VAL CA C 13 61.84 . . . . . . . . 89 VAL CA . 27837 1 435 . 1 . 1 89 89 VAL CB C 13 33.08 . . . . . . . . 89 VAL CB . 27837 1 436 . 1 . 1 89 89 VAL N N 15 120.03 . . . . . . . . 89 VAL N . 27837 1 437 . 1 . 1 90 90 GLU H H 1 7.93 . . . . . . . . 90 GLU H . 27837 1 438 . 1 . 1 90 90 GLU C C 13 173.69 . . . . . . . . 90 GLU C . 27837 1 439 . 1 . 1 90 90 GLU CA C 13 56.02 . . . . . . . . 90 GLU CA . 27837 1 440 . 1 . 1 90 90 GLU CB C 13 34.71 . . . . . . . . 90 GLU CB . 27837 1 441 . 1 . 1 90 90 GLU N N 15 122.88 . . . . . . . . 90 GLU N . 27837 1 442 . 1 . 1 91 91 ARG H H 1 8.92 . . . . . . . . 91 ARG H . 27837 1 443 . 1 . 1 91 91 ARG C C 13 174.21 . . . . . . . . 91 ARG C . 27837 1 444 . 1 . 1 91 91 ARG CA C 13 54.70 . . . . . . . . 91 ARG CA . 27837 1 445 . 1 . 1 91 91 ARG CB C 13 34.31 . . . . . . . . 91 ARG CB . 27837 1 446 . 1 . 1 91 91 ARG N N 15 120.98 . . . . . . . . 91 ARG N . 27837 1 447 . 1 . 1 92 92 MET H H 1 9.59 . . . . . . . . 92 MET H . 27837 1 448 . 1 . 1 92 92 MET C C 13 173.54 . . . . . . . . 92 MET C . 27837 1 449 . 1 . 1 92 92 MET CA C 13 54.82 . . . . . . . . 92 MET CA . 27837 1 450 . 1 . 1 92 92 MET CB C 13 38.62 . . . . . . . . 92 MET CB . 27837 1 451 . 1 . 1 92 92 MET N N 15 123.53 . . . . . . . . 92 MET N . 27837 1 452 . 1 . 1 93 93 ARG H H 1 8.71 . . . . . . . . 93 ARG H . 27837 1 453 . 1 . 1 93 93 ARG C C 13 177.76 . . . . . . . . 93 ARG C . 27837 1 454 . 1 . 1 93 93 ARG CA C 13 52.33 . . . . . . . . 93 ARG CA . 27837 1 455 . 1 . 1 93 93 ARG CB C 13 33.13 . . . . . . . . 93 ARG CB . 27837 1 456 . 1 . 1 93 93 ARG N N 15 120.61 . . . . . . . . 93 ARG N . 27837 1 457 . 1 . 1 94 94 TRP H H 1 9.92 . . . . . . . . 94 TRP H . 27837 1 458 . 1 . 1 94 94 TRP C C 13 176.21 . . . . . . . . 94 TRP C . 27837 1 459 . 1 . 1 94 94 TRP CA C 13 61.27 . . . . . . . . 94 TRP CA . 27837 1 460 . 1 . 1 94 94 TRP CB C 13 30.62 . . . . . . . . 94 TRP CB . 27837 1 461 . 1 . 1 94 94 TRP N N 15 122.73 . . . . . . . . 94 TRP N . 27837 1 462 . 1 . 1 95 95 VAL H H 1 7.05 . . . . . . . . 95 VAL H . 27837 1 463 . 1 . 1 95 95 VAL C C 13 173.36 . . . . . . . . 95 VAL C . 27837 1 464 . 1 . 1 95 95 VAL CA C 13 57.75 . . . . . . . . 95 VAL CA . 27837 1 465 . 1 . 1 95 95 VAL CB C 13 35.91 . . . . . . . . 95 VAL CB . 27837 1 466 . 1 . 1 95 95 VAL N N 15 106.19 . . . . . . . . 95 VAL N . 27837 1 467 . 1 . 1 96 96 PHE H H 1 8.73 . . . . . . . . 96 PHE H . 27837 1 468 . 1 . 1 96 96 PHE C C 13 173.40 . . . . . . . . 96 PHE C . 27837 1 469 . 1 . 1 96 96 PHE CA C 13 55.50 . . . . . . . . 96 PHE CA . 27837 1 470 . 1 . 1 96 96 PHE CB C 13 41.32 . . . . . . . . 96 PHE CB . 27837 1 471 . 1 . 1 96 96 PHE N N 15 116.73 . . . . . . . . 96 PHE N . 27837 1 472 . 1 . 1 97 97 HIS H H 1 7.19 . . . . . . . . 97 HIS H . 27837 1 473 . 1 . 1 97 97 HIS C C 13 172.73 . . . . . . . . 97 HIS C . 27837 1 474 . 1 . 1 97 97 HIS CA C 13 53.83 . . . . . . . . 97 HIS CA . 27837 1 475 . 1 . 1 97 97 HIS CB C 13 36.93 . . . . . . . . 97 HIS CB . 27837 1 476 . 1 . 1 97 97 HIS N N 15 124.35 . . . . . . . . 97 HIS N . 27837 1 477 . 1 . 1 98 98 VAL H H 1 9.48 . . . . . . . . 98 VAL H . 27837 1 478 . 1 . 1 98 98 VAL C C 13 172.70 . . . . . . . . 98 VAL C . 27837 1 479 . 1 . 1 98 98 VAL CA C 13 60.88 . . . . . . . . 98 VAL CA . 27837 1 480 . 1 . 1 98 98 VAL CB C 13 35.55 . . . . . . . . 98 VAL CB . 27837 1 481 . 1 . 1 98 98 VAL N N 15 126.95 . . . . . . . . 98 VAL N . 27837 1 482 . 1 . 1 99 99 LYS H H 1 8.95 . . . . . . . . 99 LYS H . 27837 1 483 . 1 . 1 99 99 LYS C C 13 174.03 . . . . . . . . 99 LYS C . 27837 1 484 . 1 . 1 99 99 LYS CA C 13 54.91 . . . . . . . . 99 LYS CA . 27837 1 485 . 1 . 1 99 99 LYS CB C 13 34.48 . . . . . . . . 99 LYS CB . 27837 1 486 . 1 . 1 99 99 LYS N N 15 125.83 . . . . . . . . 99 LYS N . 27837 1 487 . 1 . 1 100 100 TYR H H 1 8.83 . . . . . . . . 100 TYR H . 27837 1 488 . 1 . 1 100 100 TYR C C 13 175.48 . . . . . . . . 100 TYR C . 27837 1 489 . 1 . 1 100 100 TYR CA C 13 57.99 . . . . . . . . 100 TYR CA . 27837 1 490 . 1 . 1 100 100 TYR CB C 13 38.42 . . . . . . . . 100 TYR CB . 27837 1 491 . 1 . 1 100 100 TYR N N 15 125.28 . . . . . . . . 100 TYR N . 27837 1 492 . 1 . 1 101 101 ARG H H 1 8.56 . . . . . . . . 101 ARG H . 27837 1 493 . 1 . 1 101 101 ARG C C 13 175.66 . . . . . . . . 101 ARG C . 27837 1 494 . 1 . 1 101 101 ARG CA C 13 53.66 . . . . . . . . 101 ARG CA . 27837 1 495 . 1 . 1 101 101 ARG CB C 13 29.16 . . . . . . . . 101 ARG CB . 27837 1 496 . 1 . 1 101 101 ARG N N 15 127.66 . . . . . . . . 101 ARG N . 27837 1 497 . 1 . 1 102 102 GLU H H 1 8.70 . . . . . . . . 102 GLU H . 27837 1 498 . 1 . 1 102 102 GLU C C 13 178.94 . . . . . . . . 102 GLU C . 27837 1 499 . 1 . 1 102 102 GLU CA C 13 60.26 . . . . . . . . 102 GLU CA . 27837 1 500 . 1 . 1 102 102 GLU CB C 13 29.18 . . . . . . . . 102 GLU CB . 27837 1 501 . 1 . 1 102 102 GLU N N 15 127.04 . . . . . . . . 102 GLU N . 27837 1 502 . 1 . 1 103 103 GLY H H 1 9.11 . . . . . . . . 103 GLY H . 27837 1 503 . 1 . 1 103 103 GLY C C 13 174.60 . . . . . . . . 103 GLY C . 27837 1 504 . 1 . 1 103 103 GLY CA C 13 46.49 . . . . . . . . 103 GLY CA . 27837 1 505 . 1 . 1 103 103 GLY N N 15 108.09 . . . . . . . . 103 GLY N . 27837 1 506 . 1 . 1 104 104 GLN H H 1 7.53 . . . . . . . . 104 GLN H . 27837 1 507 . 1 . 1 104 104 GLN C C 13 175.69 . . . . . . . . 104 GLN C . 27837 1 508 . 1 . 1 104 104 GLN CA C 13 55.35 . . . . . . . . 104 GLN CA . 27837 1 509 . 1 . 1 104 104 GLN CB C 13 30.19 . . . . . . . . 104 GLN CB . 27837 1 510 . 1 . 1 104 104 GLN N N 15 117.62 . . . . . . . . 104 GLN N . 27837 1 511 . 1 . 1 105 105 GLY H H 1 8.16 . . . . . . . . 105 GLY H . 27837 1 512 . 1 . 1 105 105 GLY C C 13 173.96 . . . . . . . . 105 GLY C . 27837 1 513 . 1 . 1 105 105 GLY CA C 13 47.40 . . . . . . . . 105 GLY CA . 27837 1 514 . 1 . 1 105 105 GLY N N 15 109.83 . . . . . . . . 105 GLY N . 27837 1 515 . 1 . 1 106 106 CYS H H 1 8.40 . . . . . . . . 106 CYS H . 27837 1 516 . 1 . 1 106 106 CYS C C 13 171.33 . . . . . . . . 106 CYS C . 27837 1 517 . 1 . 1 106 106 CYS CA C 13 56.29 . . . . . . . . 106 CYS CA . 27837 1 518 . 1 . 1 106 106 CYS CB C 13 32.40 . . . . . . . . 106 CYS CB . 27837 1 519 . 1 . 1 106 106 CYS N N 15 114.55 . . . . . . . . 106 CYS N . 27837 1 520 . 1 . 1 107 107 VAL H H 1 8.62 . . . . . . . . 107 VAL H . 27837 1 521 . 1 . 1 107 107 VAL C C 13 172.94 . . . . . . . . 107 VAL C . 27837 1 522 . 1 . 1 107 107 VAL CA C 13 60.33 . . . . . . . . 107 VAL CA . 27837 1 523 . 1 . 1 107 107 VAL CB C 13 35.36 . . . . . . . . 107 VAL CB . 27837 1 524 . 1 . 1 107 107 VAL N N 15 114.99 . . . . . . . . 107 VAL N . 27837 1 525 . 1 . 1 108 108 GLU H H 1 9.11 . . . . . . . . 108 GLU H . 27837 1 526 . 1 . 1 108 108 GLU C C 13 174.37 . . . . . . . . 108 GLU C . 27837 1 527 . 1 . 1 108 108 GLU CA C 13 54.20 . . . . . . . . 108 GLU CA . 27837 1 528 . 1 . 1 108 108 GLU CB C 13 31.71 . . . . . . . . 108 GLU CB . 27837 1 529 . 1 . 1 108 108 GLU N N 15 124.96 . . . . . . . . 108 GLU N . 27837 1 530 . 1 . 1 109 109 LEU H H 1 9.30 . . . . . . . . 109 LEU H . 27837 1 531 . 1 . 1 109 109 LEU C C 13 174.16 . . . . . . . . 109 LEU C . 27837 1 532 . 1 . 1 109 109 LEU CA C 13 53.46 . . . . . . . . 109 LEU CA . 27837 1 533 . 1 . 1 109 109 LEU CB C 13 45.69 . . . . . . . . 109 LEU CB . 27837 1 534 . 1 . 1 109 109 LEU N N 15 124.86 . . . . . . . . 109 LEU N . 27837 1 535 . 1 . 1 110 110 GLY H H 1 8.87 . . . . . . . . 110 GLY H . 27837 1 536 . 1 . 1 110 110 GLY C C 13 172.61 . . . . . . . . 110 GLY C . 27837 1 537 . 1 . 1 110 110 GLY CA C 13 45.32 . . . . . . . . 110 GLY CA . 27837 1 538 . 1 . 1 110 110 GLY N N 15 110.53 . . . . . . . . 110 GLY N . 27837 1 539 . 1 . 1 111 111 PHE H H 1 9.06 . . . . . . . . 111 PHE H . 27837 1 540 . 1 . 1 111 111 PHE C C 13 174.81 . . . . . . . . 111 PHE C . 27837 1 541 . 1 . 1 111 111 PHE CA C 13 59.09 . . . . . . . . 111 PHE CA . 27837 1 542 . 1 . 1 111 111 PHE CB C 13 40.43 . . . . . . . . 111 PHE CB . 27837 1 543 . 1 . 1 111 111 PHE N N 15 126.43 . . . . . . . . 111 PHE N . 27837 1 544 . 1 . 1 112 112 SER H H 1 8.57 . . . . . . . . 112 SER H . 27837 1 545 . 1 . 1 112 112 SER C C 13 173.54 . . . . . . . . 112 SER C . 27837 1 546 . 1 . 1 112 112 SER CA C 13 57.40 . . . . . . . . 112 SER CA . 27837 1 547 . 1 . 1 112 112 SER CB C 13 63.42 . . . . . . . . 112 SER CB . 27837 1 548 . 1 . 1 112 112 SER N N 15 118.27 . . . . . . . . 112 SER N . 27837 1 549 . 1 . 1 113 113 PRO C C 13 176.84 . . . . . . . . 113 PRO C . 27837 1 550 . 1 . 1 113 113 PRO CA C 13 65.51 . . . . . . . . 113 PRO CA . 27837 1 551 . 1 . 1 113 113 PRO CB C 13 31.93 . . . . . . . . 113 PRO CB . 27837 1 552 . 1 . 1 114 114 THR H H 1 7.12 . . . . . . . . 114 THR H . 27837 1 553 . 1 . 1 114 114 THR C C 13 174.89 . . . . . . . . 114 THR C . 27837 1 554 . 1 . 1 114 114 THR CA C 13 62.39 . . . . . . . . 114 THR CA . 27837 1 555 . 1 . 1 114 114 THR CB C 13 68.99 . . . . . . . . 114 THR CB . 27837 1 556 . 1 . 1 114 114 THR N N 15 103.96 . . . . . . . . 114 THR N . 27837 1 557 . 1 . 1 115 115 ILE H H 1 8.01 . . . . . . . . 115 ILE H . 27837 1 558 . 1 . 1 115 115 ILE C C 13 176.62 . . . . . . . . 115 ILE C . 27837 1 559 . 1 . 1 115 115 ILE CA C 13 60.34 . . . . . . . . 115 ILE CA . 27837 1 560 . 1 . 1 115 115 ILE CB C 13 38.52 . . . . . . . . 115 ILE CB . 27837 1 561 . 1 . 1 115 115 ILE N N 15 121.25 . . . . . . . . 115 ILE N . 27837 1 562 . 1 . 1 116 116 ILE H H 1 7.43 . . . . . . . . 116 ILE H . 27837 1 563 . 1 . 1 116 116 ILE C C 13 173.85 . . . . . . . . 116 ILE C . 27837 1 564 . 1 . 1 116 116 ILE CA C 13 65.78 . . . . . . . . 116 ILE CA . 27837 1 565 . 1 . 1 116 116 ILE CB C 13 35.96 . . . . . . . . 116 ILE CB . 27837 1 566 . 1 . 1 116 116 ILE N N 15 120.67 . . . . . . . . 116 ILE N . 27837 1 567 . 1 . 1 117 117 PRO C C 13 176.92 . . . . . . . . 117 PRO C . 27837 1 568 . 1 . 1 117 117 PRO CA C 13 65.41 . . . . . . . . 117 PRO CA . 27837 1 569 . 1 . 1 117 117 PRO CB C 13 31.15 . . . . . . . . 117 PRO CB . 27837 1 570 . 1 . 1 118 118 HIS H H 1 7.93 . . . . . . . . 118 HIS H . 27837 1 571 . 1 . 1 118 118 HIS C C 13 175.77 . . . . . . . . 118 HIS C . 27837 1 572 . 1 . 1 118 118 HIS CA C 13 55.85 . . . . . . . . 118 HIS CA . 27837 1 573 . 1 . 1 118 118 HIS CB C 13 30.32 . . . . . . . . 118 HIS CB . 27837 1 574 . 1 . 1 118 118 HIS N N 15 114.11 . . . . . . . . 118 HIS N . 27837 1 575 . 1 . 1 119 119 LEU C C 13 178.15 . . . . . . . . 119 LEU C . 27837 1 576 . 1 . 1 119 119 LEU CA C 13 58.70 . . . . . . . . 119 LEU CA . 27837 1 577 . 1 . 1 119 119 LEU CB C 13 41.88 . . . . . . . . 119 LEU CB . 27837 1 578 . 1 . 1 120 120 THR H H 1 8.55 . . . . . . . . 120 THR H . 27837 1 579 . 1 . 1 120 120 THR C C 13 176.33 . . . . . . . . 120 THR C . 27837 1 580 . 1 . 1 120 120 THR CA C 13 66.03 . . . . . . . . 120 THR CA . 27837 1 581 . 1 . 1 120 120 THR CB C 13 68.67 . . . . . . . . 120 THR CB . 27837 1 582 . 1 . 1 120 120 THR N N 15 113.07 . . . . . . . . 120 THR N . 27837 1 583 . 1 . 1 121 121 MET H H 1 7.84 . . . . . . . . 121 MET H . 27837 1 584 . 1 . 1 121 121 MET C C 13 178.05 . . . . . . . . 121 MET C . 27837 1 585 . 1 . 1 121 121 MET CA C 13 58.14 . . . . . . . . 121 MET CA . 27837 1 586 . 1 . 1 121 121 MET CB C 13 32.40 . . . . . . . . 121 MET CB . 27837 1 587 . 1 . 1 121 121 MET N N 15 122.67 . . . . . . . . 121 MET N . 27837 1 588 . 1 . 1 122 122 LEU H H 1 8.15 . . . . . . . . 122 LEU H . 27837 1 589 . 1 . 1 122 122 LEU C C 13 177.40 . . . . . . . . 122 LEU C . 27837 1 590 . 1 . 1 122 122 LEU CA C 13 57.38 . . . . . . . . 122 LEU CA . 27837 1 591 . 1 . 1 122 122 LEU CB C 13 41.35 . . . . . . . . 122 LEU CB . 27837 1 592 . 1 . 1 122 122 LEU N N 15 120.66 . . . . . . . . 122 LEU N . 27837 1 593 . 1 . 1 123 123 HIS H H 1 8.45 . . . . . . . . 123 HIS H . 27837 1 594 . 1 . 1 123 123 HIS C C 13 175.72 . . . . . . . . 123 HIS C . 27837 1 595 . 1 . 1 123 123 HIS CA C 13 58.81 . . . . . . . . 123 HIS CA . 27837 1 596 . 1 . 1 123 123 HIS CB C 13 28.58 . . . . . . . . 123 HIS CB . 27837 1 597 . 1 . 1 123 123 HIS N N 15 117.84 . . . . . . . . 123 HIS N . 27837 1 598 . 1 . 1 124 124 LYS H H 1 7.90 . . . . . . . . 124 LYS H . 27837 1 599 . 1 . 1 124 124 LYS C C 13 177.58 . . . . . . . . 124 LYS C . 27837 1 600 . 1 . 1 124 124 LYS CA C 13 58.57 . . . . . . . . 124 LYS CA . 27837 1 601 . 1 . 1 124 124 LYS CB C 13 32.56 . . . . . . . . 124 LYS CB . 27837 1 602 . 1 . 1 124 124 LYS N N 15 118.87 . . . . . . . . 124 LYS N . 27837 1 603 . 1 . 1 125 125 GLU H H 1 8.12 . . . . . . . . 125 GLU H . 27837 1 604 . 1 . 1 125 125 GLU C C 13 177.15 . . . . . . . . 125 GLU C . 27837 1 605 . 1 . 1 125 125 GLU CA C 13 58.05 . . . . . . . . 125 GLU CA . 27837 1 606 . 1 . 1 125 125 GLU CB C 13 29.26 . . . . . . . . 125 GLU CB . 27837 1 607 . 1 . 1 125 125 GLU N N 15 119.49 . . . . . . . . 125 GLU N . 27837 1 608 . 1 . 1 126 126 PHE H H 1 8.29 . . . . . . . . 126 PHE H . 27837 1 609 . 1 . 1 126 126 PHE C C 13 175.87 . . . . . . . . 126 PHE C . 27837 1 610 . 1 . 1 126 126 PHE CA C 13 57.38 . . . . . . . . 126 PHE CA . 27837 1 611 . 1 . 1 126 126 PHE CB C 13 39.09 . . . . . . . . 126 PHE CB . 27837 1 612 . 1 . 1 126 126 PHE N N 15 117.75 . . . . . . . . 126 PHE N . 27837 1 613 . 1 . 1 127 127 THR H H 1 8.00 . . . . . . . . 127 THR H . 27837 1 614 . 1 . 1 127 127 THR C C 13 174.75 . . . . . . . . 127 THR C . 27837 1 615 . 1 . 1 127 127 THR CA C 13 63.21 . . . . . . . . 127 THR CA . 27837 1 616 . 1 . 1 127 127 THR CB C 13 70.24 . . . . . . . . 127 THR CB . 27837 1 617 . 1 . 1 127 127 THR N N 15 112.49 . . . . . . . . 127 THR N . 27837 1 618 . 1 . 1 128 128 SER H H 1 8.21 . . . . . . . . 128 SER H . 27837 1 619 . 1 . 1 128 128 SER C C 13 173.90 . . . . . . . . 128 SER C . 27837 1 620 . 1 . 1 128 128 SER CA C 13 59.88 . . . . . . . . 128 SER CA . 27837 1 621 . 1 . 1 128 128 SER CB C 13 63.71 . . . . . . . . 128 SER CB . 27837 1 622 . 1 . 1 128 128 SER N N 15 117.27 . . . . . . . . 128 SER N . 27837 1 623 . 1 . 1 129 129 TYR H H 1 7.95 . . . . . . . . 129 TYR H . 27837 1 624 . 1 . 1 129 129 TYR C C 13 174.99 . . . . . . . . 129 TYR C . 27837 1 625 . 1 . 1 129 129 TYR CA C 13 57.99 . . . . . . . . 129 TYR CA . 27837 1 626 . 1 . 1 129 129 TYR CB C 13 38.47 . . . . . . . . 129 TYR CB . 27837 1 627 . 1 . 1 129 129 TYR N N 15 120.96 . . . . . . . . 129 TYR N . 27837 1 628 . 1 . 1 130 130 GLN H H 1 8.25 . . . . . . . . 130 GLN H . 27837 1 629 . 1 . 1 130 130 GLN C C 13 175.03 . . . . . . . . 130 GLN C . 27837 1 630 . 1 . 1 130 130 GLN CA C 13 56.10 . . . . . . . . 130 GLN CA . 27837 1 631 . 1 . 1 130 130 GLN CB C 13 29.28 . . . . . . . . 130 GLN CB . 27837 1 632 . 1 . 1 130 130 GLN N N 15 120.67 . . . . . . . . 130 GLN N . 27837 1 633 . 1 . 1 131 131 LEU H H 1 8.30 . . . . . . . . 131 LEU H . 27837 1 634 . 1 . 1 131 131 LEU C C 13 175.15 . . . . . . . . 131 LEU C . 27837 1 635 . 1 . 1 131 131 LEU CA C 13 54.99 . . . . . . . . 131 LEU CA . 27837 1 636 . 1 . 1 131 131 LEU CB C 13 42.46 . . . . . . . . 131 LEU CB . 27837 1 637 . 1 . 1 131 131 LEU N N 15 124.10 . . . . . . . . 131 LEU N . 27837 1 638 . 1 . 1 132 132 LYS H H 1 7.90 . . . . . . . . 132 LYS H . 27837 1 639 . 1 . 1 132 132 LYS C C 13 179.79 . . . . . . . . 132 LYS C . 27837 1 640 . 1 . 1 132 132 LYS CA C 13 57.57 . . . . . . . . 132 LYS CA . 27837 1 641 . 1 . 1 132 132 LYS CB C 13 33.80 . . . . . . . . 132 LYS CB . 27837 1 642 . 1 . 1 132 132 LYS N N 15 126.92 . . . . . . . . 132 LYS N . 27837 1 stop_ save_