data_27601 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27601 _Entry.Title ; RXDP2ext(1-73) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-09 _Entry.Accession_date 2018-09-09 _Entry.Last_release_date 2018-09-10 _Entry.Original_release_date 2018-09-10 _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 RXDP2ext(1-73) _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 Ashish Sethi . . . . 27601 2 Paul Gooley . R. . . 27601 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Melbourne' . 27601 2 . 'University of Melbourne' . 27601 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27601 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 27601 '15N chemical shifts' 125 27601 '1H chemical shifts' 125 27601 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 . . 2019-02-15 2018-09-09 update BMRB 'update entry citation' 27601 1 . . 2018-10-09 2018-09-09 original author 'original release' 27601 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26721 RXFP1-LDLa-linker 27601 BMRB 27019 RXFP2-LDLa-linker 27601 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27601 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30594862 _Citation.Full_citation . _Citation.Title ; Multi-Component Mechanism of H2 Relaxin Binding to RXFP1 through NanoBRET Kinetic Analysis. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev iScience _Citation.Journal_name_full iScience _Citation.Journal_volume 11 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2589-0042 _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 93 _Citation.Page_last 9113 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bradley Hoare B. L. . . 27601 1 2 Shoni Bruell S. . . . 27601 1 3 Ashish Sethi A. . . . 27601 1 4 Paul Gooley P. R. . . 27601 1 5 Michael Lew M. J. . . 27601 1 6 Mohammed Hossain M. A. . . 27601 1 7 Asuka Inoue A. . . . 27601 1 8 Daniel Scott D. J. . . 27601 1 9 Ross Bathgate . . . . 27601 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27601 _Assembly.ID 1 _Assembly.Name RXFP2ext _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 RXFP2ext 1 $RXFP2ext A . yes native no no . . . 27601 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RXFP2ext _Entity.Sf_category entity _Entity.Sf_framecode RXFP2ext _Entity.Entry_ID 27601 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RXFP2ext _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 ; MITFSCQKGYFPCGNLTKCL PRAFHCDGKDDCGNGADEEN CGDTSGWATIFGKYFASYYT VHGNANSVALTQEQYKLALN GKTLKGETTTEAVDAATAEK VFKQYANDNGVDGEWTYDDA TKTFTVTE ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . 27601 1 2 . ILE . 27601 1 3 . THR . 27601 1 4 . PHE . 27601 1 5 . SER . 27601 1 6 . CYS . 27601 1 7 . GLN . 27601 1 8 . LYS . 27601 1 9 . GLY . 27601 1 10 . TYR . 27601 1 11 . PHE . 27601 1 12 . PRO . 27601 1 13 . CYS . 27601 1 14 . GLY . 27601 1 15 . ASN . 27601 1 16 . LEU . 27601 1 17 . THR . 27601 1 18 . LYS . 27601 1 19 . CYS . 27601 1 20 . LEU . 27601 1 21 . PRO . 27601 1 22 . ARG . 27601 1 23 . ALA . 27601 1 24 . PHE . 27601 1 25 . HIS . 27601 1 26 . CYS . 27601 1 27 . ASP . 27601 1 28 . GLY . 27601 1 29 . LYS . 27601 1 30 . ASP . 27601 1 31 . ASP . 27601 1 32 . CYS . 27601 1 33 . GLY . 27601 1 34 . ASN . 27601 1 35 . GLY . 27601 1 36 . ALA . 27601 1 37 . ASP . 27601 1 38 . GLU . 27601 1 39 . GLU . 27601 1 40 . ASN . 27601 1 41 . CYS . 27601 1 42 . GLY . 27601 1 43 . ASP . 27601 1 44 . THR . 27601 1 45 . SER . 27601 1 46 . GLY . 27601 1 47 . TRP . 27601 1 48 . ALA . 27601 1 49 . THR . 27601 1 50 . ILE . 27601 1 51 . PHE . 27601 1 52 . GLY . 27601 1 53 . LYS . 27601 1 54 . TYR . 27601 1 55 . PHE . 27601 1 56 . ALA . 27601 1 57 . SER . 27601 1 58 . TYR . 27601 1 59 . TYR . 27601 1 60 . THR . 27601 1 61 . VAL . 27601 1 62 . HIS . 27601 1 63 . GLY . 27601 1 64 . ASN . 27601 1 65 . ALA . 27601 1 66 . ASN . 27601 1 67 . SER . 27601 1 68 . VAL . 27601 1 69 . ALA . 27601 1 70 . LEU . 27601 1 71 . THR . 27601 1 72 . GLN . 27601 1 73 . GLU . 27601 1 74 . GLN . 27601 1 75 . TYR . 27601 1 76 . LYS . 27601 1 77 . LEU . 27601 1 78 . ALA . 27601 1 79 . LEU . 27601 1 80 . ASN . 27601 1 81 . GLY . 27601 1 82 . LYS . 27601 1 83 . THR . 27601 1 84 . LEU . 27601 1 85 . LYS . 27601 1 86 . GLY . 27601 1 87 . GLU . 27601 1 88 . THR . 27601 1 89 . THR . 27601 1 90 . THR . 27601 1 91 . GLU . 27601 1 92 . ALA . 27601 1 93 . VAL . 27601 1 94 . ASP . 27601 1 95 . ALA . 27601 1 96 . ALA . 27601 1 97 . THR . 27601 1 98 . ALA . 27601 1 99 . GLU . 27601 1 100 . LYS . 27601 1 101 . VAL . 27601 1 102 . PHE . 27601 1 103 . LYS . 27601 1 104 . GLN . 27601 1 105 . TYR . 27601 1 106 . ALA . 27601 1 107 . ASN . 27601 1 108 . ASP . 27601 1 109 . ASN . 27601 1 110 . GLY . 27601 1 111 . VAL . 27601 1 112 . ASP . 27601 1 113 . GLY . 27601 1 114 . GLU . 27601 1 115 . TRP . 27601 1 116 . THR . 27601 1 117 . TYR . 27601 1 118 . ASP . 27601 1 119 . ASP . 27601 1 120 . ALA . 27601 1 121 . THR . 27601 1 122 . LYS . 27601 1 123 . THR . 27601 1 124 . PHE . 27601 1 125 . THR . 27601 1 126 . VAL . 27601 1 127 . THR . 27601 1 128 . GLU . 27601 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 27601 1 . ILE 2 2 27601 1 . THR 3 3 27601 1 . PHE 4 4 27601 1 . SER 5 5 27601 1 . CYS 6 6 27601 1 . GLN 7 7 27601 1 . LYS 8 8 27601 1 . GLY 9 9 27601 1 . TYR 10 10 27601 1 . PHE 11 11 27601 1 . PRO 12 12 27601 1 . CYS 13 13 27601 1 . GLY 14 14 27601 1 . ASN 15 15 27601 1 . LEU 16 16 27601 1 . THR 17 17 27601 1 . LYS 18 18 27601 1 . CYS 19 19 27601 1 . LEU 20 20 27601 1 . PRO 21 21 27601 1 . ARG 22 22 27601 1 . ALA 23 23 27601 1 . PHE 24 24 27601 1 . HIS 25 25 27601 1 . CYS 26 26 27601 1 . ASP 27 27 27601 1 . GLY 28 28 27601 1 . LYS 29 29 27601 1 . ASP 30 30 27601 1 . ASP 31 31 27601 1 . CYS 32 32 27601 1 . GLY 33 33 27601 1 . ASN 34 34 27601 1 . GLY 35 35 27601 1 . ALA 36 36 27601 1 . ASP 37 37 27601 1 . GLU 38 38 27601 1 . GLU 39 39 27601 1 . ASN 40 40 27601 1 . CYS 41 41 27601 1 . GLY 42 42 27601 1 . ASP 43 43 27601 1 . THR 44 44 27601 1 . SER 45 45 27601 1 . GLY 46 46 27601 1 . TRP 47 47 27601 1 . ALA 48 48 27601 1 . THR 49 49 27601 1 . ILE 50 50 27601 1 . PHE 51 51 27601 1 . GLY 52 52 27601 1 . LYS 53 53 27601 1 . TYR 54 54 27601 1 . PHE 55 55 27601 1 . ALA 56 56 27601 1 . SER 57 57 27601 1 . TYR 58 58 27601 1 . TYR 59 59 27601 1 . THR 60 60 27601 1 . VAL 61 61 27601 1 . HIS 62 62 27601 1 . GLY 63 63 27601 1 . ASN 64 64 27601 1 . ALA 65 65 27601 1 . ASN 66 66 27601 1 . SER 67 67 27601 1 . VAL 68 68 27601 1 . ALA 69 69 27601 1 . LEU 70 70 27601 1 . THR 71 71 27601 1 . GLN 72 72 27601 1 . GLU 73 73 27601 1 . GLN 74 74 27601 1 . TYR 75 75 27601 1 . LYS 76 76 27601 1 . LEU 77 77 27601 1 . ALA 78 78 27601 1 . LEU 79 79 27601 1 . ASN 80 80 27601 1 . GLY 81 81 27601 1 . LYS 82 82 27601 1 . THR 83 83 27601 1 . LEU 84 84 27601 1 . LYS 85 85 27601 1 . GLY 86 86 27601 1 . GLU 87 87 27601 1 . THR 88 88 27601 1 . THR 89 89 27601 1 . THR 90 90 27601 1 . GLU 91 91 27601 1 . ALA 92 92 27601 1 . VAL 93 93 27601 1 . ASP 94 94 27601 1 . ALA 95 95 27601 1 . ALA 96 96 27601 1 . THR 97 97 27601 1 . ALA 98 98 27601 1 . GLU 99 99 27601 1 . LYS 100 100 27601 1 . VAL 101 101 27601 1 . PHE 102 102 27601 1 . LYS 103 103 27601 1 . GLN 104 104 27601 1 . TYR 105 105 27601 1 . ALA 106 106 27601 1 . ASN 107 107 27601 1 . ASP 108 108 27601 1 . ASN 109 109 27601 1 . GLY 110 110 27601 1 . VAL 111 111 27601 1 . ASP 112 112 27601 1 . GLY 113 113 27601 1 . GLU 114 114 27601 1 . TRP 115 115 27601 1 . THR 116 116 27601 1 . TYR 117 117 27601 1 . ASP 118 118 27601 1 . ASP 119 119 27601 1 . ALA 120 120 27601 1 . THR 121 121 27601 1 . LYS 122 122 27601 1 . THR 123 123 27601 1 . PHE 124 124 27601 1 . THR 125 125 27601 1 . VAL 126 126 27601 1 . THR 127 127 27601 1 . GLU 128 128 27601 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 27601 _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 $RXFP2ext . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27601 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 27601 _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 $RXFP2ext . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 27601 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27601 _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 RXFP2ext '[U-100% 13C; U-100% 15N]' . . 1 $RXFP2ext . . 65 . . uM . . . . 27601 1 2 imidazole 'natural abundance' . . . . . . 50 . . mM . . . . 27601 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 27601 _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' 50 . mM 27601 1 pH 6.8 . pH 27601 1 pressure 1 . atm 27601 1 temperature 298 . K 27601 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27601 _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 . . 27601 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27601 1 'data analysis' 27601 1 'peak picking' 27601 1 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 27601 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27601 _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 . 700 . . . 27601 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 27601 _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 . . . . . . . . . . . . . . . . 27601 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27601 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27601 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27601 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 27601 _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 water 'methyl carbon' . . . . ppm 45.731 internal indirect 0.25144953 . . . . . 27601 1 H 1 water protons . . . . ppm 4.773 internal indirect 1.0 . . . . . 27601 1 N 15 water nitrogen . . . . ppm 119.587 internal indirect 0.101329118 . . . . . 27601 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 27601 _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' . . . 27601 1 2 '3D CBCA(CO)NH' . . . 27601 1 3 '3D HNCACB' . . . 27601 1 4 '3D C(CO)NH' . . . 27601 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 27601 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 52.674 . . . . . . . . 1 M CA . 27601 1 2 . 1 1 1 1 MET CB C 13 30.348 . . . . . . . . 1 M CB . 27601 1 3 . 1 1 2 2 ILE H H 1 8.227 . . . . . . . . 2 I H . 27601 1 4 . 1 1 2 2 ILE CA C 13 58.305 . . . . . . . . 2 I CA . 27601 1 5 . 1 1 2 2 ILE CB C 13 36.393 . . . . . . . . 2 I CB . 27601 1 6 . 1 1 2 2 ILE N N 15 122.842 . . . . . . . . 2 I N . 27601 1 7 . 1 1 3 3 THR H H 1 8.167 . . . . . . . . 3 T H . 27601 1 8 . 1 1 3 3 THR CA C 13 63.656 . . . . . . . . 3 T CA . 27601 1 9 . 1 1 3 3 THR CB C 13 67.018 . . . . . . . . 3 T CB . 27601 1 10 . 1 1 3 3 THR CG2 C 13 19.046 . . . . . . . . 3 T CG . 27601 1 11 . 1 1 3 3 THR N N 15 118.818 . . . . . . . . 3 T N . 27601 1 12 . 1 1 4 4 PHE H H 1 8.248 . . . . . . . . 4 F H . 27601 1 13 . 1 1 4 4 PHE N N 15 124.34 . . . . . . . . 4 F N . 27601 1 14 . 1 1 5 5 SER H H 1 7.638 . . . . . . . . 5 S H . 27601 1 15 . 1 1 5 5 SER N N 15 118.821 . . . . . . . . 5 S N . 27601 1 16 . 1 1 6 6 CYS H H 1 8.344 . . . . . . . . 6 C H . 27601 1 17 . 1 1 6 6 CYS CA C 13 58.336 . . . . . . . . 6 C CA . 27601 1 18 . 1 1 6 6 CYS CB C 13 38.726 . . . . . . . . 6 C CB . 27601 1 19 . 1 1 6 6 CYS N N 15 118.129 . . . . . . . . 6 C N . 27601 1 20 . 1 1 7 7 GLN H H 1 8.734 . . . . . . . . 7 Q H . 27601 1 21 . 1 1 7 7 GLN CA C 13 52.88 . . . . . . . . 7 Q CA . 27601 1 22 . 1 1 7 7 GLN CB C 13 27.439 . . . . . . . . 7 Q CB . 27601 1 23 . 1 1 7 7 GLN N N 15 121.369 . . . . . . . . 7 Q N . 27601 1 24 . 1 1 8 8 LYS H H 1 8.258 . . . . . . . . 8 K H . 27601 1 25 . 1 1 8 8 LYS CA C 13 55.624 . . . . . . . . 8 K CA . 27601 1 26 . 1 1 8 8 LYS CB C 13 29.784 . . . . . . . . 8 K CB . 27601 1 27 . 1 1 8 8 LYS N N 15 121.01 . . . . . . . . 8 K N . 27601 1 28 . 1 1 9 9 GLY H H 1 8.706 . . . . . . . . 9 G H . 27601 1 29 . 1 1 9 9 GLY CA C 13 42.49 . . . . . . . . 9 G CA . 27601 1 30 . 1 1 9 9 GLY N N 15 109.595 . . . . . . . . 9 G N . 27601 1 31 . 1 1 10 10 TYR H H 1 8.405 . . . . . . . . 10 Y H . 27601 1 32 . 1 1 10 10 TYR CA C 13 53.455 . . . . . . . . 10 Y CA . 27601 1 33 . 1 1 10 10 TYR CB C 13 38.38 . . . . . . . . 10 Y CB . 27601 1 34 . 1 1 10 10 TYR N N 15 122.122 . . . . . . . . 10 Y N . 27601 1 35 . 1 1 11 11 PHE H H 1 9.387 . . . . . . . . 11 F H . 27601 1 36 . 1 1 11 11 PHE CA C 13 56.594 . . . . . . . . 11 F CA . 27601 1 37 . 1 1 11 11 PHE CB C 13 37.889 . . . . . . . . 11 F CB . 27601 1 38 . 1 1 11 11 PHE N N 15 118.851 . . . . . . . . 11 F N . 27601 1 39 . 1 1 13 13 CYS H H 1 8.197 . . . . . . . . 13 C H . 27601 1 40 . 1 1 13 13 CYS CA C 13 57.417 . . . . . . . . 13 C CA . 27601 1 41 . 1 1 13 13 CYS CB C 13 39.059 . . . . . . . . 13 C CB . 27601 1 42 . 1 1 13 13 CYS N N 15 119.883 . . . . . . . . 13 C N . 27601 1 43 . 1 1 14 14 GLY H H 1 8.057 . . . . . . . . 14 G H . 27601 1 44 . 1 1 14 14 GLY CA C 13 44.761 . . . . . . . . 14 G CA . 27601 1 45 . 1 1 14 14 GLY N N 15 112.694 . . . . . . . . 14 G N . 27601 1 46 . 1 1 15 15 ASN H H 1 8.631 . . . . . . . . 15 N H . 27601 1 47 . 1 1 15 15 ASN CA C 13 50.927 . . . . . . . . 15 N CA . 27601 1 48 . 1 1 15 15 ASN CB C 13 35.191 . . . . . . . . 15 N CB . 27601 1 49 . 1 1 15 15 ASN N N 15 123.977 . . . . . . . . 15 N N . 27601 1 50 . 1 1 16 16 LEU H H 1 7.585 . . . . . . . . 16 L H . 27601 1 51 . 1 1 16 16 LEU CA C 13 51.29 . . . . . . . . 16 L CA . 27601 1 52 . 1 1 16 16 LEU CB C 13 40.358 . . . . . . . . 16 L CB . 27601 1 53 . 1 1 16 16 LEU N N 15 120.352 . . . . . . . . 16 L N . 27601 1 54 . 1 1 17 17 THR H H 1 7.931 . . . . . . . . 17 T H . 27601 1 55 . 1 1 17 17 THR CA C 13 64.261 . . . . . . . . 17 T CA . 27601 1 56 . 1 1 17 17 THR CB C 13 66.091 . . . . . . . . 17 T CB . 27601 1 57 . 1 1 17 17 THR N N 15 114.594 . . . . . . . . 17 T N . 27601 1 58 . 1 1 18 18 LYS H H 1 7.604 . . . . . . . . 18 K H . 27601 1 59 . 1 1 18 18 LYS CA C 13 53.121 . . . . . . . . 18 K CA . 27601 1 60 . 1 1 18 18 LYS CB C 13 33.19 . . . . . . . . 18 K CB . 27601 1 61 . 1 1 18 18 LYS N N 15 123.738 . . . . . . . . 18 K N . 27601 1 62 . 1 1 19 19 CYS H H 1 8.628 . . . . . . . . 19 C H . 27601 1 63 . 1 1 19 19 CYS CA C 13 58.26 . . . . . . . . 19 C CA . 27601 1 64 . 1 1 19 19 CYS CB C 13 43.297 . . . . . . . . 19 C CB . 27601 1 65 . 1 1 19 19 CYS N N 15 123.049 . . . . . . . . 19 C N . 27601 1 66 . 1 1 20 20 LEU H H 1 8.793 . . . . . . . . 20 L H . 27601 1 67 . 1 1 20 20 LEU CA C 13 54.17 . . . . . . . . 20 L CA . 27601 1 68 . 1 1 20 20 LEU CB C 13 42.215 . . . . . . . . 20 L CB . 27601 1 69 . 1 1 20 20 LEU N N 15 122.692 . . . . . . . . 20 L N . 27601 1 70 . 1 1 22 22 ARG H H 1 7.919 . . . . . . . . 22 R H . 27601 1 71 . 1 1 22 22 ARG CA C 13 56.986 . . . . . . . . 22 R CA . 27601 1 72 . 1 1 22 22 ARG CB C 13 27.225 . . . . . . . . 22 R CB . 27601 1 73 . 1 1 22 22 ARG N N 15 120.935 . . . . . . . . 22 R N . 27601 1 74 . 1 1 23 23 ALA H H 1 8.422 . . . . . . . . 23 A H . 27601 1 75 . 1 1 23 23 ALA CA C 13 51.831 . . . . . . . . 23 A CA . 27601 1 76 . 1 1 23 23 ALA CB C 13 15.666 . . . . . . . . 23 A CB . 27601 1 77 . 1 1 23 23 ALA N N 15 120.913 . . . . . . . . 23 A N . 27601 1 78 . 1 1 24 24 PHE H H 1 7.871 . . . . . . . . 24 F H . 27601 1 79 . 1 1 24 24 PHE CA C 13 53.46 . . . . . . . . 24 F CA . 27601 1 80 . 1 1 24 24 PHE CB C 13 35.029 . . . . . . . . 24 F CB . 27601 1 81 . 1 1 24 24 PHE N N 15 112.211 . . . . . . . . 24 F N . 27601 1 82 . 1 1 25 25 HIS H H 1 8.428 . . . . . . . . 25 H H . 27601 1 83 . 1 1 25 25 HIS CA C 13 53.951 . . . . . . . . 25 H CA . 27601 1 84 . 1 1 25 25 HIS CB C 13 28.13 . . . . . . . . 25 H CB . 27601 1 85 . 1 1 25 25 HIS N N 15 126.572 . . . . . . . . 25 H N . 27601 1 86 . 1 1 26 26 CYS H H 1 9.028 . . . . . . . . 26 C H . 27601 1 87 . 1 1 26 26 CYS CA C 13 51.542 . . . . . . . . 26 C CA . 27601 1 88 . 1 1 26 26 CYS CB C 13 40.1 . . . . . . . . 26 C CB . 27601 1 89 . 1 1 26 26 CYS N N 15 125.559 . . . . . . . . 26 C N . 27601 1 90 . 1 1 27 27 ASP H H 1 9.496 . . . . . . . . 27 D H . 27601 1 91 . 1 1 27 27 ASP CA C 13 49.551 . . . . . . . . 27 D CA . 27601 1 92 . 1 1 27 27 ASP CB C 13 38.797 . . . . . . . . 27 D CB . 27601 1 93 . 1 1 27 27 ASP N N 15 120.445 . . . . . . . . 27 D N . 27601 1 94 . 1 1 28 28 GLY H H 1 9.264 . . . . . . . . 28 G H . 27601 1 95 . 1 1 28 28 GLY CA C 13 42.896 . . . . . . . . 28 G CA . 27601 1 96 . 1 1 28 28 GLY N N 15 110.175 . . . . . . . . 28 G N . 27601 1 97 . 1 1 29 29 LYS H H 1 7.229 . . . . . . . . 29 K H . 27601 1 98 . 1 1 29 29 LYS CA C 13 56.246 . . . . . . . . 29 K CA . 27601 1 99 . 1 1 29 29 LYS CB C 13 32.113 . . . . . . . . 29 K CB . 27601 1 100 . 1 1 29 29 LYS N N 15 115.325 . . . . . . . . 29 K N . 27601 1 101 . 1 1 30 30 ASP H H 1 8.982 . . . . . . . . 30 D H . 27601 1 102 . 1 1 30 30 ASP CA C 13 52.57 . . . . . . . . 30 D CA . 27601 1 103 . 1 1 30 30 ASP CB C 13 37.059 . . . . . . . . 30 D CB . 27601 1 104 . 1 1 30 30 ASP N N 15 125.82 . . . . . . . . 30 D N . 27601 1 105 . 1 1 31 31 ASP H H 1 10.638 . . . . . . . . 31 D H . 27601 1 106 . 1 1 31 31 ASP CA C 13 52.729 . . . . . . . . 31 D CA . 27601 1 107 . 1 1 31 31 ASP CB C 13 42.043 . . . . . . . . 31 D CB . 27601 1 108 . 1 1 31 31 ASP N N 15 128.475 . . . . . . . . 31 D N . 27601 1 109 . 1 1 32 32 CYS H H 1 8.826 . . . . . . . . 32 C H . 27601 1 110 . 1 1 32 32 CYS CA C 13 55.652 . . . . . . . . 32 C CA . 27601 1 111 . 1 1 32 32 CYS CB C 13 38.642 . . . . . . . . 32 C CB . 27601 1 112 . 1 1 32 32 CYS N N 15 119.534 . . . . . . . . 32 C N . 27601 1 113 . 1 1 33 33 GLY H H 1 9.578 . . . . . . . . 33 G H . 27601 1 114 . 1 1 33 33 GLY CA C 13 42.117 . . . . . . . . 33 G CA . 27601 1 115 . 1 1 33 33 GLY N N 15 110.978 . . . . . . . . 33 G N . 27601 1 116 . 1 1 34 34 ASN H H 1 7.218 . . . . . . . . 34 N H . 27601 1 117 . 1 1 34 34 ASN CA C 13 48.459 . . . . . . . . 34 N CA . 27601 1 118 . 1 1 34 34 ASN CB C 13 36.558 . . . . . . . . 34 N CB . 27601 1 119 . 1 1 34 34 ASN N N 15 115.95 . . . . . . . . 34 N N . 27601 1 120 . 1 1 35 35 GLY H H 1 9.128 . . . . . . . . 35 G H . 27601 1 121 . 1 1 35 35 GLY CA C 13 43.013 . . . . . . . . 35 G CA . 27601 1 122 . 1 1 35 35 GLY N N 15 110.066 . . . . . . . . 35 G N . 27601 1 123 . 1 1 36 36 ALA H H 1 7.847 . . . . . . . . 36 A H . 27601 1 124 . 1 1 36 36 ALA CA C 13 53.008 . . . . . . . . 36 A CA . 27601 1 125 . 1 1 36 36 ALA CB C 13 16.265 . . . . . . . . 36 A CB . 27601 1 126 . 1 1 36 36 ALA N N 15 122.614 . . . . . . . . 36 A N . 27601 1 127 . 1 1 37 37 ASP H H 1 10.245 . . . . . . . . 37 D H . 27601 1 128 . 1 1 37 37 ASP CA C 13 51.666 . . . . . . . . 37 D CA . 27601 1 129 . 1 1 37 37 ASP CB C 13 36.904 . . . . . . . . 37 D CB . 27601 1 130 . 1 1 37 37 ASP N N 15 109.877 . . . . . . . . 37 D N . 27601 1 131 . 1 1 38 38 GLU H H 1 7.538 . . . . . . . . 38 E H . 27601 1 132 . 1 1 38 38 GLU CA C 13 56.319 . . . . . . . . 38 E CA . 27601 1 133 . 1 1 38 38 GLU CB C 13 27.665 . . . . . . . . 38 E CB . 27601 1 134 . 1 1 38 38 GLU CG C 13 29.057 . . . . . . . . 38 E CG . 27601 1 135 . 1 1 38 38 GLU N N 15 116.863 . . . . . . . . 38 E N . 27601 1 136 . 1 1 39 39 GLU H H 1 6.932 . . . . . . . . 39 E H . 27601 1 137 . 1 1 39 39 GLU CA C 13 53.316 . . . . . . . . 39 E CA . 27601 1 138 . 1 1 39 39 GLU CB C 13 28.964 . . . . . . . . 39 E CB . 27601 1 139 . 1 1 39 39 GLU N N 15 120.181 . . . . . . . . 39 E N . 27601 1 140 . 1 1 40 40 ASN H H 1 8.919 . . . . . . . . 40 N H . 27601 1 141 . 1 1 40 40 ASN CA C 13 53.086 . . . . . . . . 40 N CA . 27601 1 142 . 1 1 40 40 ASN CB C 13 34.698 . . . . . . . . 40 N CB . 27601 1 143 . 1 1 40 40 ASN N N 15 117.837 . . . . . . . . 40 N N . 27601 1 144 . 1 1 41 41 CYS H H 1 8.247 . . . . . . . . 41 C H . 27601 1 145 . 1 1 41 41 CYS CA C 13 52.965 . . . . . . . . 41 C CA . 27601 1 146 . 1 1 41 41 CYS CB C 13 38.929 . . . . . . . . 41 C CB . 27601 1 147 . 1 1 41 41 CYS N N 15 116.682 . . . . . . . . 41 C N . 27601 1 148 . 1 1 42 42 GLY H H 1 8.545 . . . . . . . . 42 G H . 27601 1 149 . 1 1 42 42 GLY CA C 13 42.91 . . . . . . . . 42 G CA . 27601 1 150 . 1 1 42 42 GLY N N 15 109.481 . . . . . . . . 42 G N . 27601 1 151 . 1 1 43 43 ASP H H 1 7.97 . . . . . . . . 43 D H . 27601 1 152 . 1 1 43 43 ASP CA C 13 52.165 . . . . . . . . 43 D CA . 27601 1 153 . 1 1 43 43 ASP CB C 13 38.184 . . . . . . . . 43 D CB . 27601 1 154 . 1 1 43 43 ASP N N 15 120.345 . . . . . . . . 43 D N . 27601 1 155 . 1 1 44 44 THR H H 1 8.159 . . . . . . . . 44 T H . 27601 1 156 . 1 1 44 44 THR CA C 13 61.781 . . . . . . . . 44 T CA . 27601 1 157 . 1 1 44 44 THR CB C 13 66.542 . . . . . . . . 44 T CB . 27601 1 158 . 1 1 44 44 THR N N 15 114.811 . . . . . . . . 44 T N . 27601 1 159 . 1 1 45 45 SER H H 1 8.302 . . . . . . . . 45 S H . 27601 1 160 . 1 1 45 45 SER CA C 13 61.294 . . . . . . . . 45 S CA . 27601 1 161 . 1 1 45 45 SER CB C 13 65.634 . . . . . . . . 45 S CB . 27601 1 162 . 1 1 45 45 SER N N 15 118.53 . . . . . . . . 45 S N . 27601 1 163 . 1 1 46 46 GLY H H 1 8.307 . . . . . . . . 46 G H . 27601 1 164 . 1 1 46 46 GLY CA C 13 43.492 . . . . . . . . 46 G CA . 27601 1 165 . 1 1 46 46 GLY N N 15 110.861 . . . . . . . . 46 G N . 27601 1 166 . 1 1 47 47 TRP H H 1 7.951 . . . . . . . . 47 W H . 27601 1 167 . 1 1 47 47 TRP CA C 13 59.403 . . . . . . . . 47 W CA . 27601 1 168 . 1 1 47 47 TRP CB C 13 29.964 . . . . . . . . 47 W CB . 27601 1 169 . 1 1 47 47 TRP N N 15 121.128 . . . . . . . . 47 W N . 27601 1 170 . 1 1 48 48 ALA H H 1 8.55 . . . . . . . . 48 A H . 27601 1 171 . 1 1 48 48 ALA CA C 13 51.134 . . . . . . . . 48 A CA . 27601 1 172 . 1 1 48 48 ALA CB C 13 15.873 . . . . . . . . 48 A CB . 27601 1 173 . 1 1 48 48 ALA N N 15 125.738 . . . . . . . . 48 A N . 27601 1 174 . 1 1 49 49 THR H H 1 7.781 . . . . . . . . 49 T H . 27601 1 175 . 1 1 49 49 THR CA C 13 66.993 . . . . . . . . 49 T CA . 27601 1 176 . 1 1 49 49 THR CB C 13 68.447 . . . . . . . . 49 T CB . 27601 1 177 . 1 1 49 49 THR N N 15 112.415 . . . . . . . . 49 T N . 27601 1 178 . 1 1 50 50 ILE H H 1 7.763 . . . . . . . . 50 I H . 27601 1 179 . 1 1 50 50 ILE CA C 13 60.442 . . . . . . . . 50 I CA . 27601 1 180 . 1 1 50 50 ILE CB C 13 35.511 . . . . . . . . 50 I CB . 27601 1 181 . 1 1 50 50 ILE N N 15 121.577 . . . . . . . . 50 I N . 27601 1 182 . 1 1 51 51 PHE H H 1 8.423 . . . . . . . . 51 F H . 27601 1 183 . 1 1 51 51 PHE CA C 13 49.802 . . . . . . . . 51 F CA . 27601 1 184 . 1 1 51 51 PHE CB C 13 40.748 . . . . . . . . 51 F CB . 27601 1 185 . 1 1 51 51 PHE N N 15 127.271 . . . . . . . . 51 F N . 27601 1 186 . 1 1 52 52 GLY H H 1 7.993 . . . . . . . . 52 G H . 27601 1 187 . 1 1 52 52 GLY CA C 13 42.574 . . . . . . . . 52 G CA . 27601 1 188 . 1 1 52 52 GLY N N 15 107.712 . . . . . . . . 52 G N . 27601 1 189 . 1 1 53 53 LYS H H 1 7.902 . . . . . . . . 53 K H . 27601 1 190 . 1 1 53 53 LYS CA C 13 56.814 . . . . . . . . 53 K CA . 27601 1 191 . 1 1 53 53 LYS CB C 13 32.633 . . . . . . . . 53 K CB . 27601 1 192 . 1 1 53 53 LYS N N 15 118.901 . . . . . . . . 53 K N . 27601 1 193 . 1 1 54 54 TYR H H 1 9.024 . . . . . . . . 54 Y H . 27601 1 194 . 1 1 54 54 TYR CA C 13 57.171 . . . . . . . . 54 Y CA . 27601 1 195 . 1 1 54 54 TYR CB C 13 40.493 . . . . . . . . 54 Y CB . 27601 1 196 . 1 1 54 54 TYR N N 15 123.688 . . . . . . . . 54 Y N . 27601 1 197 . 1 1 55 55 PHE H H 1 8.723 . . . . . . . . 55 F H . 27601 1 198 . 1 1 55 55 PHE CA C 13 55.175 . . . . . . . . 55 F CA . 27601 1 199 . 1 1 55 55 PHE CB C 13 40.054 . . . . . . . . 55 F CB . 27601 1 200 . 1 1 55 55 PHE N N 15 125.088 . . . . . . . . 55 F N . 27601 1 201 . 1 1 56 56 ALA H H 1 7.073 . . . . . . . . 56 A H . 27601 1 202 . 1 1 56 56 ALA CA C 13 52.252 . . . . . . . . 56 A CA . 27601 1 203 . 1 1 56 56 ALA CB C 13 18.488 . . . . . . . . 56 A CB . 27601 1 204 . 1 1 56 56 ALA N N 15 123.842 . . . . . . . . 56 A N . 27601 1 205 . 1 1 57 57 SER H H 1 8.107 . . . . . . . . 57 S H . 27601 1 206 . 1 1 57 57 SER CA C 13 60.898 . . . . . . . . 57 S CA . 27601 1 207 . 1 1 57 57 SER CB C 13 65.597 . . . . . . . . 57 S CB . 27601 1 208 . 1 1 57 57 SER N N 15 120.366 . . . . . . . . 57 S N . 27601 1 209 . 1 1 58 58 TYR H H 1 7.859 . . . . . . . . 58 Y H . 27601 1 210 . 1 1 58 58 TYR CA C 13 55.717 . . . . . . . . 58 Y CA . 27601 1 211 . 1 1 58 58 TYR CB C 13 36.038 . . . . . . . . 58 Y CB . 27601 1 212 . 1 1 58 58 TYR N N 15 121.282 . . . . . . . . 58 Y N . 27601 1 213 . 1 1 59 59 TYR H H 1 7.865 . . . . . . . . 59 Y H . 27601 1 214 . 1 1 59 59 TYR CA C 13 57.081 . . . . . . . . 59 Y CA . 27601 1 215 . 1 1 59 59 TYR CB C 13 36.274 . . . . . . . . 59 Y CB . 27601 1 216 . 1 1 59 59 TYR N N 15 119.748 . . . . . . . . 59 Y N . 27601 1 217 . 1 1 60 60 THR H H 1 7.989 . . . . . . . . 60 T H . 27601 1 218 . 1 1 60 60 THR CA C 13 63.627 . . . . . . . . 60 T CA . 27601 1 219 . 1 1 60 60 THR CB C 13 66.981 . . . . . . . . 60 T CB . 27601 1 220 . 1 1 60 60 THR N N 15 113.593 . . . . . . . . 60 T N . 27601 1 221 . 1 1 61 61 VAL H H 1 7.318 . . . . . . . . 61 V H . 27601 1 222 . 1 1 61 61 VAL CA C 13 62.649 . . . . . . . . 61 V CA . 27601 1 223 . 1 1 61 61 VAL CB C 13 32.822 . . . . . . . . 61 V CB . 27601 1 224 . 1 1 61 61 VAL N N 15 124.532 . . . . . . . . 61 V N . 27601 1 225 . 1 1 62 62 HIS H H 1 8.457 . . . . . . . . 62 H H . 27601 1 226 . 1 1 62 62 HIS CA C 13 52.473 . . . . . . . . 62 H CA . 27601 1 227 . 1 1 62 62 HIS CB C 13 26.711 . . . . . . . . 62 H CB . 27601 1 228 . 1 1 62 62 HIS N N 15 122.116 . . . . . . . . 62 H N . 27601 1 229 . 1 1 63 63 GLY H H 1 8.311 . . . . . . . . 63 G H . 27601 1 230 . 1 1 63 63 GLY CA C 13 42.665 . . . . . . . . 63 G CA . 27601 1 231 . 1 1 63 63 GLY N N 15 109.777 . . . . . . . . 63 G N . 27601 1 232 . 1 1 64 64 ASN H H 1 8.283 . . . . . . . . 64 N H . 27601 1 233 . 1 1 64 64 ASN CA C 13 50.169 . . . . . . . . 64 N CA . 27601 1 234 . 1 1 64 64 ASN CB C 13 36.394 . . . . . . . . 64 N CB . 27601 1 235 . 1 1 64 64 ASN N N 15 118.598 . . . . . . . . 64 N N . 27601 1 236 . 1 1 65 65 ALA H H 1 8.293 . . . . . . . . 65 A H . 27601 1 237 . 1 1 65 65 ALA CA C 13 50.43 . . . . . . . . 65 A CA . 27601 1 238 . 1 1 65 65 ALA CB C 13 16.345 . . . . . . . . 65 A CB . 27601 1 239 . 1 1 65 65 ALA N N 15 124.314 . . . . . . . . 65 A N . 27601 1 240 . 1 1 66 66 ASN H H 1 8.298 . . . . . . . . 66 N H . 27601 1 241 . 1 1 66 66 ASN CA C 13 50.825 . . . . . . . . 66 N CA . 27601 1 242 . 1 1 66 66 ASN CB C 13 36.371 . . . . . . . . 66 N CB . 27601 1 243 . 1 1 66 66 ASN N N 15 116.925 . . . . . . . . 66 N N . 27601 1 244 . 1 1 67 67 SER H H 1 8.056 . . . . . . . . 67 S H . 27601 1 245 . 1 1 67 67 SER CA C 13 55.847 . . . . . . . . 67 S CA . 27601 1 246 . 1 1 67 67 SER CB C 13 61.089 . . . . . . . . 67 S CB . 27601 1 247 . 1 1 67 67 SER N N 15 115.672 . . . . . . . . 67 S N . 27601 1 248 . 1 1 68 68 VAL H H 1 7.957 . . . . . . . . 68 V H . 27601 1 249 . 1 1 68 68 VAL CA C 13 59.45 . . . . . . . . 68 V CA . 27601 1 250 . 1 1 68 68 VAL CB C 13 29.984 . . . . . . . . 68 V CB . 27601 1 251 . 1 1 68 68 VAL N N 15 121.159 . . . . . . . . 68 V N . 27601 1 252 . 1 1 69 69 ALA H H 1 8.182 . . . . . . . . 69 A H . 27601 1 253 . 1 1 69 69 ALA CA C 13 49.612 . . . . . . . . 69 A CA . 27601 1 254 . 1 1 69 69 ALA CB C 13 16.489 . . . . . . . . 69 A CB . 27601 1 255 . 1 1 69 69 ALA N N 15 127.127 . . . . . . . . 69 A N . 27601 1 256 . 1 1 70 70 LEU H H 1 8.087 . . . . . . . . 70 L H . 27601 1 257 . 1 1 70 70 LEU CA C 13 52.447 . . . . . . . . 70 L CA . 27601 1 258 . 1 1 70 70 LEU CB C 13 39.874 . . . . . . . . 70 L CB . 27601 1 259 . 1 1 70 70 LEU N N 15 121.534 . . . . . . . . 70 L N . 27601 1 260 . 1 1 71 71 THR H H 1 8.068 . . . . . . . . 71 T H . 27601 1 261 . 1 1 71 71 THR CA C 13 59.164 . . . . . . . . 71 T CA . 27601 1 262 . 1 1 71 71 THR CB C 13 67.192 . . . . . . . . 71 T CB . 27601 1 263 . 1 1 71 71 THR CG2 C 13 19.04 . . . . . . . . 71 T CG . 27601 1 264 . 1 1 71 71 THR N N 15 115.443 . . . . . . . . 71 T N . 27601 1 265 . 1 1 72 72 GLN H H 1 8.288 . . . . . . . . 72 Q H . 27601 1 266 . 1 1 72 72 GLN CA C 13 52.599 . . . . . . . . 72 Q CA . 27601 1 267 . 1 1 72 72 GLN CB C 13 27.903 . . . . . . . . 72 Q CB . 27601 1 268 . 1 1 72 72 GLN N N 15 121.651 . . . . . . . . 72 Q N . 27601 1 269 . 1 1 73 73 GLU H H 1 8.288 . . . . . . . . 73 E H . 27601 1 270 . 1 1 73 73 GLU CA C 13 56.447 . . . . . . . . 73 E CA . 27601 1 271 . 1 1 73 73 GLU CB C 13 29.74 . . . . . . . . 73 E CB . 27601 1 272 . 1 1 73 73 GLU N N 15 121.097 . . . . . . . . 73 E N . 27601 1 273 . 1 1 74 74 GLN H H 1 8.265 . . . . . . . . 74 Q H . 27601 1 274 . 1 1 74 74 GLN CA C 13 53.016 . . . . . . . . 74 Q CA . 27601 1 275 . 1 1 74 74 GLN CB C 13 28.113 . . . . . . . . 74 Q CB . 27601 1 276 . 1 1 74 74 GLN N N 15 119.514 . . . . . . . . 74 Q N . 27601 1 277 . 1 1 75 75 TYR H H 1 9.123 . . . . . . . . 75 Y H . 27601 1 278 . 1 1 75 75 TYR CA C 13 54.455 . . . . . . . . 75 Y CA . 27601 1 279 . 1 1 75 75 TYR CB C 13 40.379 . . . . . . . . 75 Y CB . 27601 1 280 . 1 1 75 75 TYR N N 15 124.561 . . . . . . . . 75 Y N . 27601 1 281 . 1 1 76 76 LYS H H 1 9.109 . . . . . . . . 76 K H . 27601 1 282 . 1 1 76 76 LYS CA C 13 52.819 . . . . . . . . 76 K CA . 27601 1 283 . 1 1 76 76 LYS CB C 13 33.367 . . . . . . . . 76 K CB . 27601 1 284 . 1 1 76 76 LYS N N 15 121.812 . . . . . . . . 76 K N . 27601 1 285 . 1 1 77 77 LEU H H 1 8.465 . . . . . . . . 77 L H . 27601 1 286 . 1 1 77 77 LEU CA C 13 49.928 . . . . . . . . 77 L CA . 27601 1 287 . 1 1 77 77 LEU CB C 13 39.701 . . . . . . . . 77 L CB . 27601 1 288 . 1 1 77 77 LEU CG C 13 23.117 . . . . . . . . 77 L CG . 27601 1 289 . 1 1 77 77 LEU N N 15 125.513 . . . . . . . . 77 L N . 27601 1 290 . 1 1 78 78 ALA H H 1 9.212 . . . . . . . . 78 A H . 27601 1 291 . 1 1 78 78 ALA CA C 13 48.324 . . . . . . . . 78 A CA . 27601 1 292 . 1 1 78 78 ALA CB C 13 16.73 . . . . . . . . 78 A CB . 27601 1 293 . 1 1 78 78 ALA N N 15 130.019 . . . . . . . . 78 A N . 27601 1 294 . 1 1 79 79 LEU H H 1 8.485 . . . . . . . . 79 L H . 27601 1 295 . 1 1 79 79 LEU CA C 13 51.843 . . . . . . . . 79 L CA . 27601 1 296 . 1 1 79 79 LEU CB C 13 39.541 . . . . . . . . 79 L CB . 27601 1 297 . 1 1 79 79 LEU N N 15 122.626 . . . . . . . . 79 L N . 27601 1 298 . 1 1 80 80 ASN H H 1 8.786 . . . . . . . . 80 N H . 27601 1 299 . 1 1 80 80 ASN CA C 13 48.573 . . . . . . . . 80 N CA . 27601 1 300 . 1 1 80 80 ASN CB C 13 35.377 . . . . . . . . 80 N CB . 27601 1 301 . 1 1 80 80 ASN N N 15 126.755 . . . . . . . . 80 N N . 27601 1 302 . 1 1 81 81 GLY H H 1 7.88 . . . . . . . . 81 G H . 27601 1 303 . 1 1 81 81 GLY CA C 13 42.069 . . . . . . . . 81 G CA . 27601 1 304 . 1 1 81 81 GLY N N 15 109.812 . . . . . . . . 81 G N . 27601 1 305 . 1 1 82 82 LYS H H 1 9.331 . . . . . . . . 82 K H . 27601 1 306 . 1 1 82 82 LYS CA C 13 56.406 . . . . . . . . 82 K CA . 27601 1 307 . 1 1 82 82 LYS CB C 13 29.92 . . . . . . . . 82 K CB . 27601 1 308 . 1 1 82 82 LYS N N 15 120.886 . . . . . . . . 82 K N . 27601 1 309 . 1 1 83 83 THR H H 1 8.714 . . . . . . . . 83 T H . 27601 1 310 . 1 1 83 83 THR CA C 13 59.41 . . . . . . . . 83 T CA . 27601 1 311 . 1 1 83 83 THR CB C 13 67.156 . . . . . . . . 83 T CB . 27601 1 312 . 1 1 83 83 THR CG2 C 13 18.922 . . . . . . . . 83 T CG . 27601 1 313 . 1 1 83 83 THR N N 15 108.702 . . . . . . . . 83 T N . 27601 1 314 . 1 1 84 84 LEU H H 1 7.302 . . . . . . . . 84 L H . 27601 1 315 . 1 1 84 84 LEU CA C 13 52.684 . . . . . . . . 84 L CA . 27601 1 316 . 1 1 84 84 LEU CB C 13 40.811 . . . . . . . . 84 L CB . 27601 1 317 . 1 1 84 84 LEU N N 15 125.128 . . . . . . . . 84 L N . 27601 1 318 . 1 1 85 85 LYS H H 1 8.051 . . . . . . . . 85 K H . 27601 1 319 . 1 1 85 85 LYS CA C 13 51.293 . . . . . . . . 85 K CA . 27601 1 320 . 1 1 85 85 LYS CB C 13 32.45 . . . . . . . . 85 K CB . 27601 1 321 . 1 1 85 85 LYS N N 15 123.585 . . . . . . . . 85 K N . 27601 1 322 . 1 1 86 86 GLY H H 1 8.364 . . . . . . . . 86 G H . 27601 1 323 . 1 1 86 86 GLY CA C 13 42.463 . . . . . . . . 86 G CA . 27601 1 324 . 1 1 86 86 GLY N N 15 109.458 . . . . . . . . 86 G N . 27601 1 325 . 1 1 87 87 GLU H H 1 8.374 . . . . . . . . 87 E H . 27601 1 326 . 1 1 87 87 GLU CA C 13 52.216 . . . . . . . . 87 E CA . 27601 1 327 . 1 1 87 87 GLU CB C 13 31.201 . . . . . . . . 87 E CB . 27601 1 328 . 1 1 87 87 GLU CG C 13 33.537 . . . . . . . . 87 E CG . 27601 1 329 . 1 1 87 87 GLU N N 15 119.446 . . . . . . . . 87 E N . 27601 1 330 . 1 1 88 88 THR H H 1 8.506 . . . . . . . . 88 T H . 27601 1 331 . 1 1 88 88 THR CA C 13 57.827 . . . . . . . . 88 T CA . 27601 1 332 . 1 1 88 88 THR CB C 13 67.022 . . . . . . . . 88 T CB . 27601 1 333 . 1 1 88 88 THR CG2 C 13 16.77 . . . . . . . . 88 T CG . 27601 1 334 . 1 1 88 88 THR N N 15 115.764 . . . . . . . . 88 T N . 27601 1 335 . 1 1 89 89 THR H H 1 8.038 . . . . . . . . 89 T H . 27601 1 336 . 1 1 89 89 THR CA C 13 57.409 . . . . . . . . 89 T CA . 27601 1 337 . 1 1 89 89 THR CB C 13 70.436 . . . . . . . . 89 T CB . 27601 1 338 . 1 1 89 89 THR CG2 C 13 19.017 . . . . . . . . 89 T CG . 27601 1 339 . 1 1 89 89 THR N N 15 112.321 . . . . . . . . 89 T N . 27601 1 340 . 1 1 90 90 THR H H 1 8.912 . . . . . . . . 90 T H . 27601 1 341 . 1 1 90 90 THR CA C 13 59.565 . . . . . . . . 90 T CA . 27601 1 342 . 1 1 90 90 THR CB C 13 67.386 . . . . . . . . 90 T CB . 27601 1 343 . 1 1 90 90 THR CG2 C 13 16.465 . . . . . . . . 90 T CG . 27601 1 344 . 1 1 90 90 THR N N 15 114.964 . . . . . . . . 90 T N . 27601 1 345 . 1 1 91 91 GLU H H 1 7.891 . . . . . . . . 91 E H . 27601 1 346 . 1 1 91 91 GLU CA C 13 52.603 . . . . . . . . 91 E CA . 27601 1 347 . 1 1 91 91 GLU CB C 13 28.584 . . . . . . . . 91 E CB . 27601 1 348 . 1 1 91 91 GLU N N 15 123.926 . . . . . . . . 91 E N . 27601 1 349 . 1 1 92 92 ALA H H 1 9.174 . . . . . . . . 92 A H . 27601 1 350 . 1 1 92 92 ALA CA C 13 48.532 . . . . . . . . 92 A CA . 27601 1 351 . 1 1 92 92 ALA CB C 13 21.084 . . . . . . . . 92 A CB . 27601 1 352 . 1 1 92 92 ALA N N 15 123.843 . . . . . . . . 92 A N . 27601 1 353 . 1 1 93 93 VAL H H 1 8.409 . . . . . . . . 93 V H . 27601 1 354 . 1 1 93 93 VAL CA C 13 60.603 . . . . . . . . 93 V CA . 27601 1 355 . 1 1 93 93 VAL CB C 13 29.404 . . . . . . . . 93 V CB . 27601 1 356 . 1 1 93 93 VAL N N 15 114.746 . . . . . . . . 93 V N . 27601 1 357 . 1 1 94 94 ASP H H 1 7.23 . . . . . . . . 94 D H . 27601 1 358 . 1 1 94 94 ASP CA C 13 49.946 . . . . . . . . 94 D CA . 27601 1 359 . 1 1 94 94 ASP CB C 13 39.296 . . . . . . . . 94 D CB . 27601 1 360 . 1 1 94 94 ASP N N 15 114.641 . . . . . . . . 94 D N . 27601 1 361 . 1 1 95 95 ALA H H 1 8.31 . . . . . . . . 95 A H . 27601 1 362 . 1 1 95 95 ALA CA C 13 51.957 . . . . . . . . 95 A CA . 27601 1 363 . 1 1 95 95 ALA CB C 13 14.988 . . . . . . . . 95 A CB . 27601 1 364 . 1 1 95 95 ALA N N 15 121.486 . . . . . . . . 95 A N . 27601 1 365 . 1 1 96 96 ALA H H 1 7.929 . . . . . . . . 96 A H . 27601 1 366 . 1 1 96 96 ALA CA C 13 52.211 . . . . . . . . 96 A CA . 27601 1 367 . 1 1 96 96 ALA CB C 13 14.922 . . . . . . . . 96 A CB . 27601 1 368 . 1 1 96 96 ALA N N 15 120.216 . . . . . . . . 96 A N . 27601 1 369 . 1 1 97 97 THR H H 1 8.251 . . . . . . . . 97 T H . 27601 1 370 . 1 1 97 97 THR CA C 13 60.955 . . . . . . . . 97 T CA . 27601 1 371 . 1 1 97 97 THR CB C 13 65.303 . . . . . . . . 97 T CB . 27601 1 372 . 1 1 97 97 THR N N 15 116.638 . . . . . . . . 97 T N . 27601 1 373 . 1 1 98 98 ALA H H 1 7.007 . . . . . . . . 98 A H . 27601 1 374 . 1 1 98 98 ALA CA C 13 52.312 . . . . . . . . 98 A CA . 27601 1 375 . 1 1 98 98 ALA CB C 13 14.805 . . . . . . . . 98 A CB . 27601 1 376 . 1 1 98 98 ALA N N 15 123.668 . . . . . . . . 98 A N . 27601 1 377 . 1 1 99 99 GLU H H 1 8.261 . . . . . . . . 99 E H . 27601 1 378 . 1 1 99 99 GLU CA C 13 57.073 . . . . . . . . 99 E CA . 27601 1 379 . 1 1 99 99 GLU CB C 13 26.422 . . . . . . . . 99 E CB . 27601 1 380 . 1 1 99 99 GLU CG C 13 33.162 . . . . . . . . 99 E CG . 27601 1 381 . 1 1 99 99 GLU N N 15 116.694 . . . . . . . . 99 E N . 27601 1 382 . 1 1 100 100 LYS H H 1 6.908 . . . . . . . . 100 K H . 27601 1 383 . 1 1 100 100 LYS CA C 13 57.18 . . . . . . . . 100 K CA . 27601 1 384 . 1 1 100 100 LYS CB C 13 29.427 . . . . . . . . 100 K CB . 27601 1 385 . 1 1 100 100 LYS N N 15 116.562 . . . . . . . . 100 K N . 27601 1 386 . 1 1 101 101 VAL H H 1 7.234 . . . . . . . . 101 V H . 27601 1 387 . 1 1 101 101 VAL CA C 13 63.583 . . . . . . . . 101 V CA . 27601 1 388 . 1 1 101 101 VAL CB C 13 28.974 . . . . . . . . 101 V CB . 27601 1 389 . 1 1 101 101 VAL N N 15 120.441 . . . . . . . . 101 V N . 27601 1 390 . 1 1 102 102 PHE H H 1 8.362 . . . . . . . . 102 F H . 27601 1 391 . 1 1 102 102 PHE CA C 13 54.397 . . . . . . . . 102 F CA . 27601 1 392 . 1 1 102 102 PHE CB C 13 34.876 . . . . . . . . 102 F CB . 27601 1 393 . 1 1 102 102 PHE N N 15 120.548 . . . . . . . . 102 F N . 27601 1 394 . 1 1 103 103 LYS H H 1 9.1 . . . . . . . . 103 K H . 27601 1 395 . 1 1 103 103 LYS CA C 13 57.116 . . . . . . . . 103 K CA . 27601 1 396 . 1 1 103 103 LYS CB C 13 28.995 . . . . . . . . 103 K CB . 27601 1 397 . 1 1 103 103 LYS N N 15 122.943 . . . . . . . . 103 K N . 27601 1 398 . 1 1 104 104 GLN H H 1 7.386 . . . . . . . . 104 Q H . 27601 1 399 . 1 1 104 104 GLN CA C 13 56.115 . . . . . . . . 104 Q CA . 27601 1 400 . 1 1 104 104 GLN CB C 13 25.505 . . . . . . . . 104 Q CB . 27601 1 401 . 1 1 104 104 GLN CG C 13 30.86 . . . . . . . . 104 Q CG . 27601 1 402 . 1 1 104 104 GLN N N 15 119.776 . . . . . . . . 104 Q N . 27601 1 403 . 1 1 105 105 TYR H H 1 8.136 . . . . . . . . 105 Y H . 27601 1 404 . 1 1 105 105 TYR CA C 13 59.214 . . . . . . . . 105 Y CA . 27601 1 405 . 1 1 105 105 TYR CB C 13 35.91 . . . . . . . . 105 Y CB . 27601 1 406 . 1 1 105 105 TYR N N 15 120.852 . . . . . . . . 105 Y N . 27601 1 407 . 1 1 106 106 ALA H H 1 9.126 . . . . . . . . 106 A H . 27601 1 408 . 1 1 106 106 ALA CA C 13 53.473 . . . . . . . . 106 A CA . 27601 1 409 . 1 1 106 106 ALA CB C 13 15.095 . . . . . . . . 106 A CB . 27601 1 410 . 1 1 106 106 ALA N N 15 122.746 . . . . . . . . 106 A N . 27601 1 411 . 1 1 107 107 ASN H H 1 8.194 . . . . . . . . 107 N H . 27601 1 412 . 1 1 107 107 ASN CA C 13 54.32 . . . . . . . . 107 N CA . 27601 1 413 . 1 1 107 107 ASN CB C 13 36.171 . . . . . . . . 107 N CB . 27601 1 414 . 1 1 107 107 ASN N N 15 117.611 . . . . . . . . 107 N N . 27601 1 415 . 1 1 108 108 ASP H H 1 8.816 . . . . . . . . 108 D H . 27601 1 416 . 1 1 108 108 ASP CA C 13 54.389 . . . . . . . . 108 D CA . 27601 1 417 . 1 1 108 108 ASP CB C 13 37.32 . . . . . . . . 108 D CB . 27601 1 418 . 1 1 108 108 ASP N N 15 121.291 . . . . . . . . 108 D N . 27601 1 419 . 1 1 109 109 ASN H H 1 7.327 . . . . . . . . 109 N H . 27601 1 420 . 1 1 109 109 ASN CA C 13 51.213 . . . . . . . . 109 N CA . 27601 1 421 . 1 1 109 109 ASN CB C 13 37.355 . . . . . . . . 109 N CB . 27601 1 422 . 1 1 109 109 ASN N N 15 115.281 . . . . . . . . 109 N N . 27601 1 423 . 1 1 110 110 GLY H H 1 7.714 . . . . . . . . 110 G H . 27601 1 424 . 1 1 110 110 GLY CA C 13 44.262 . . . . . . . . 110 G CA . 27601 1 425 . 1 1 110 110 GLY N N 15 108.277 . . . . . . . . 110 G N . 27601 1 426 . 1 1 111 111 VAL H H 1 8.036 . . . . . . . . 111 V H . 27601 1 427 . 1 1 111 111 VAL CA C 13 59.225 . . . . . . . . 111 V CA . 27601 1 428 . 1 1 111 111 VAL CB C 13 30.572 . . . . . . . . 111 V CB . 27601 1 429 . 1 1 111 111 VAL N N 15 120.975 . . . . . . . . 111 V N . 27601 1 430 . 1 1 112 112 ASP H H 1 8.535 . . . . . . . . 112 D H . 27601 1 431 . 1 1 112 112 ASP CA C 13 50.034 . . . . . . . . 112 D CA . 27601 1 432 . 1 1 112 112 ASP CB C 13 40.171 . . . . . . . . 112 D CB . 27601 1 433 . 1 1 112 112 ASP N N 15 127.963 . . . . . . . . 112 D N . 27601 1 434 . 1 1 113 113 GLY H H 1 7.75 . . . . . . . . 113 G H . 27601 1 435 . 1 1 113 113 GLY CA C 13 42.739 . . . . . . . . 113 G CA . 27601 1 436 . 1 1 113 113 GLY N N 15 107.202 . . . . . . . . 113 G N . 27601 1 437 . 1 1 114 114 GLU H H 1 8.101 . . . . . . . . 114 E H . 27601 1 438 . 1 1 114 114 GLU CA C 13 52.738 . . . . . . . . 114 E CA . 27601 1 439 . 1 1 114 114 GLU CB C 13 28.963 . . . . . . . . 114 E CB . 27601 1 440 . 1 1 114 114 GLU N N 15 120.569 . . . . . . . . 114 E N . 27601 1 441 . 1 1 115 115 TRP H H 1 9.24 . . . . . . . . 115 W H . 27601 1 442 . 1 1 115 115 TRP CA C 13 55.198 . . . . . . . . 115 W CA . 27601 1 443 . 1 1 115 115 TRP CB C 13 27.683 . . . . . . . . 115 W CB . 27601 1 444 . 1 1 115 115 TRP N N 15 128.222 . . . . . . . . 115 W N . 27601 1 445 . 1 1 116 116 THR H H 1 9.189 . . . . . . . . 116 T H . 27601 1 446 . 1 1 116 116 THR CA C 13 57.763 . . . . . . . . 116 T CA . 27601 1 447 . 1 1 116 116 THR CB C 13 69.704 . . . . . . . . 116 T CB . 27601 1 448 . 1 1 116 116 THR N N 15 114.574 . . . . . . . . 116 T N . 27601 1 449 . 1 1 117 117 TYR H H 1 8.525 . . . . . . . . 117 Y H . 27601 1 450 . 1 1 117 117 TYR CA C 13 54.393 . . . . . . . . 117 Y CA . 27601 1 451 . 1 1 117 117 TYR CB C 13 38.916 . . . . . . . . 117 Y CB . 27601 1 452 . 1 1 117 117 TYR N N 15 120.917 . . . . . . . . 117 Y N . 27601 1 453 . 1 1 118 118 ASP H H 1 7.481 . . . . . . . . 118 D H . 27601 1 454 . 1 1 118 118 ASP CA C 13 54.397 . . . . . . . . 118 D CA . 27601 1 455 . 1 1 118 118 ASP CB C 13 40.33 . . . . . . . . 118 D CB . 27601 1 456 . 1 1 118 118 ASP N N 15 128.337 . . . . . . . . 118 D N . 27601 1 457 . 1 1 119 119 ASP H H 1 8.417 . . . . . . . . 119 D H . 27601 1 458 . 1 1 119 119 ASP CA C 13 53.703 . . . . . . . . 119 D CA . 27601 1 459 . 1 1 119 119 ASP CB C 13 39.126 . . . . . . . . 119 D CB . 27601 1 460 . 1 1 119 119 ASP N N 15 124.745 . . . . . . . . 119 D N . 27601 1 461 . 1 1 120 120 ALA H H 1 8.195 . . . . . . . . 120 A H . 27601 1 462 . 1 1 120 120 ALA CA C 13 52.474 . . . . . . . . 120 A CA . 27601 1 463 . 1 1 120 120 ALA CB C 13 15.68 . . . . . . . . 120 A CB . 27601 1 464 . 1 1 120 120 ALA N N 15 119.896 . . . . . . . . 120 A N . 27601 1 465 . 1 1 121 121 THR H H 1 6.915 . . . . . . . . 121 T H . 27601 1 466 . 1 1 121 121 THR CA C 13 57.888 . . . . . . . . 121 T CA . 27601 1 467 . 1 1 121 121 THR CB C 13 67.445 . . . . . . . . 121 T CB . 27601 1 468 . 1 1 121 121 THR CG2 C 13 18.594 . . . . . . . . 121 T CG . 27601 1 469 . 1 1 121 121 THR N N 15 129.253 . . . . . . . . 121 T N . 27601 1 470 . 1 1 122 122 LYS H H 1 7.751 . . . . . . . . 122 K H . 27601 1 471 . 1 1 122 122 LYS CA C 13 54.463 . . . . . . . . 122 K CA . 27601 1 472 . 1 1 122 122 LYS CB C 13 27.261 . . . . . . . . 122 K CB . 27601 1 473 . 1 1 122 122 LYS N N 15 123.279 . . . . . . . . 122 K N . 27601 1 474 . 1 1 123 123 THR H H 1 7.231 . . . . . . . . 123 T H . 27601 1 475 . 1 1 123 123 THR CA C 13 59.432 . . . . . . . . 123 T CA . 27601 1 476 . 1 1 123 123 THR CB C 13 69.229 . . . . . . . . 123 T CB . 27601 1 477 . 1 1 123 123 THR CG2 C 13 17.474 . . . . . . . . 123 T CG . 27601 1 478 . 1 1 123 123 THR N N 15 110.649 . . . . . . . . 123 T N . 27601 1 479 . 1 1 124 124 PHE H H 1 10.208 . . . . . . . . 124 F H . 27601 1 480 . 1 1 124 124 PHE CA C 13 54.504 . . . . . . . . 124 F CA . 27601 1 481 . 1 1 124 124 PHE CB C 13 39.517 . . . . . . . . 124 F CB . 27601 1 482 . 1 1 124 124 PHE N N 15 131.049 . . . . . . . . 124 F N . 27601 1 483 . 1 1 125 125 THR H H 1 9.094 . . . . . . . . 125 T H . 27601 1 484 . 1 1 125 125 THR CA C 13 58.919 . . . . . . . . 125 T CA . 27601 1 485 . 1 1 125 125 THR CB C 13 68.114 . . . . . . . . 125 T CB . 27601 1 486 . 1 1 125 125 THR N N 15 118.278 . . . . . . . . 125 T N . 27601 1 487 . 1 1 126 126 VAL H H 1 7.977 . . . . . . . . 126 V H . 27601 1 488 . 1 1 126 126 VAL CA C 13 55.659 . . . . . . . . 126 V CA . 27601 1 489 . 1 1 126 126 VAL CB C 13 29.883 . . . . . . . . 126 V CB . 27601 1 490 . 1 1 126 126 VAL N N 15 123.636 . . . . . . . . 126 V N . 27601 1 491 . 1 1 127 127 THR H H 1 8.313 . . . . . . . . 127 T H . 27601 1 492 . 1 1 127 127 THR CA C 13 59.112 . . . . . . . . 127 T CA . 27601 1 493 . 1 1 127 127 THR CB C 13 68.083 . . . . . . . . 127 T CB . 27601 1 494 . 1 1 127 127 THR CG2 C 13 22.971 . . . . . . . . 127 T CG . 27601 1 495 . 1 1 127 127 THR N N 15 123.693 . . . . . . . . 127 T N . 27601 1 496 . 1 1 128 128 GLU H H 1 7.742 . . . . . . . . 128 E H . 27601 1 497 . 1 1 128 128 GLU CA C 13 55.645 . . . . . . . . 128 E CA . 27601 1 498 . 1 1 128 128 GLU CB C 13 29.927 . . . . . . . . 128 E CB . 27601 1 499 . 1 1 128 128 GLU N N 15 107.638 . . . . . . . . 128 E N . 27601 1 stop_ save_