data_27476 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27476 _Entry.Title ; Cardiac troponin I_135-209 chemical shift ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-05-10 _Entry.Accession_date 2018-05-10 _Entry.Last_release_date 2018-05-10 _Entry.Original_release_date 2018-05-10 _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 . _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 Zabed Mahmud . . . . 27476 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 Alberta' . 27476 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27476 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 307 27476 '15N chemical shifts' 74 27476 '1H chemical shifts' 367 27476 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-02-07 . original BMRB . 27476 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 27476 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.bbagen.2019.01.008 _Citation.PubMed_ID 30659884 _Citation.Full_citation . _Citation.Title ; Structure and proteolytic susceptibility of the inhibitory C-terminal tail of cardiac troponin I. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta Gen. Subj.' _Citation.Journal_name_full 'Biochimica et biophysica acta. General subjects' _Citation.Journal_volume 1863 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1872-8006 _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 661 _Citation.Page_last 671 _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 Zabed Mahmud . . . . 27476 1 2 Somaya Zahran . . . . 27476 1 3 Philip Liu . B. . . 27476 1 4 Bela Reiz . . . . 27476 1 5 Brandon Chan . Y.H . . 27476 1 6 Andrej Roczkowsky . . . . 27476 1 7 Christian-Scott McCartney . E. . . 27476 1 8 Peter Davies . . . . 27476 1 9 Liang Li . . . . 27476 1 10 Richard Schulz . . . . 27476 1 11 Peter Hwang . M. . . 27476 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 27476 _Assembly.ID 1 _Assembly.Name 'Cardiac troponin I' _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 'The actin_Dnase1 is denatured.' _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 cTnI135-209 1 $Cardiac_Troponin_I_135-209 A . yes 'intrinsically disordered' no no . . . 27476 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cardiac_Troponin_I_135-209 _Entity.Sf_category entity _Entity.Sf_framecode Cardiac_Troponin_I_135-209 _Entity.Entry_ID 27476 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cardiac_Troponin_I_[135-209] _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 ; MRGKFKRPTLRRVRISADAM MQALLGARAKESLDLRAHLK QVKKEDTEKENREVGDWRKN IDALSGMEGRKKKFES ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 27476 1 2 . ARG . 27476 1 3 . GLY . 27476 1 4 . LYS . 27476 1 5 . PHE . 27476 1 6 . LYS . 27476 1 7 . ARG . 27476 1 8 . PRO . 27476 1 9 . THR . 27476 1 10 . LEU . 27476 1 11 . ARG . 27476 1 12 . ARG . 27476 1 13 . VAL . 27476 1 14 . ARG . 27476 1 15 . ILE . 27476 1 16 . SER . 27476 1 17 . ALA . 27476 1 18 . ASP . 27476 1 19 . ALA . 27476 1 20 . MET . 27476 1 21 . MET . 27476 1 22 . GLN . 27476 1 23 . ALA . 27476 1 24 . LEU . 27476 1 25 . LEU . 27476 1 26 . GLY . 27476 1 27 . ALA . 27476 1 28 . ARG . 27476 1 29 . ALA . 27476 1 30 . LYS . 27476 1 31 . GLU . 27476 1 32 . SER . 27476 1 33 . LEU . 27476 1 34 . ASP . 27476 1 35 . LEU . 27476 1 36 . ARG . 27476 1 37 . ALA . 27476 1 38 . HIS . 27476 1 39 . LEU . 27476 1 40 . LYS . 27476 1 41 . GLN . 27476 1 42 . VAL . 27476 1 43 . LYS . 27476 1 44 . LYS . 27476 1 45 . GLU . 27476 1 46 . ASP . 27476 1 47 . THR . 27476 1 48 . GLU . 27476 1 49 . LYS . 27476 1 50 . GLU . 27476 1 51 . ASN . 27476 1 52 . ARG . 27476 1 53 . GLU . 27476 1 54 . VAL . 27476 1 55 . GLY . 27476 1 56 . ASP . 27476 1 57 . TRP . 27476 1 58 . ARG . 27476 1 59 . LYS . 27476 1 60 . ASN . 27476 1 61 . ILE . 27476 1 62 . ASP . 27476 1 63 . ALA . 27476 1 64 . LEU . 27476 1 65 . SER . 27476 1 66 . GLY . 27476 1 67 . MET . 27476 1 68 . GLU . 27476 1 69 . GLY . 27476 1 70 . ARG . 27476 1 71 . LYS . 27476 1 72 . LYS . 27476 1 73 . LYS . 27476 1 74 . PHE . 27476 1 75 . GLU . 27476 1 76 . SER . 27476 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 27476 1 . ARG 2 2 27476 1 . GLY 3 3 27476 1 . LYS 4 4 27476 1 . PHE 5 5 27476 1 . LYS 6 6 27476 1 . ARG 7 7 27476 1 . PRO 8 8 27476 1 . THR 9 9 27476 1 . LEU 10 10 27476 1 . ARG 11 11 27476 1 . ARG 12 12 27476 1 . VAL 13 13 27476 1 . ARG 14 14 27476 1 . ILE 15 15 27476 1 . SER 16 16 27476 1 . ALA 17 17 27476 1 . ASP 18 18 27476 1 . ALA 19 19 27476 1 . MET 20 20 27476 1 . MET 21 21 27476 1 . GLN 22 22 27476 1 . ALA 23 23 27476 1 . LEU 24 24 27476 1 . LEU 25 25 27476 1 . GLY 26 26 27476 1 . ALA 27 27 27476 1 . ARG 28 28 27476 1 . ALA 29 29 27476 1 . LYS 30 30 27476 1 . GLU 31 31 27476 1 . SER 32 32 27476 1 . LEU 33 33 27476 1 . ASP 34 34 27476 1 . LEU 35 35 27476 1 . ARG 36 36 27476 1 . ALA 37 37 27476 1 . HIS 38 38 27476 1 . LEU 39 39 27476 1 . LYS 40 40 27476 1 . GLN 41 41 27476 1 . VAL 42 42 27476 1 . LYS 43 43 27476 1 . LYS 44 44 27476 1 . GLU 45 45 27476 1 . ASP 46 46 27476 1 . THR 47 47 27476 1 . GLU 48 48 27476 1 . LYS 49 49 27476 1 . GLU 50 50 27476 1 . ASN 51 51 27476 1 . ARG 52 52 27476 1 . GLU 53 53 27476 1 . VAL 54 54 27476 1 . GLY 55 55 27476 1 . ASP 56 56 27476 1 . TRP 57 57 27476 1 . ARG 58 58 27476 1 . LYS 59 59 27476 1 . ASN 60 60 27476 1 . ILE 61 61 27476 1 . ASP 62 62 27476 1 . ALA 63 63 27476 1 . LEU 64 64 27476 1 . SER 65 65 27476 1 . GLY 66 66 27476 1 . MET 67 67 27476 1 . GLU 68 68 27476 1 . GLY 69 69 27476 1 . ARG 70 70 27476 1 . LYS 71 71 27476 1 . LYS 72 72 27476 1 . LYS 73 73 27476 1 . PHE 74 74 27476 1 . GLU 75 75 27476 1 . SER 76 76 27476 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 27476 _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 $Cardiac_Troponin_I_135-209 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27476 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 27476 _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 $Cardiac_Troponin_I_135-209 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pELECTRA-PagP-His6 . . . 27476 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27476 _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 'Cardiac Troponin I [135-209]' '[U-99% 15N]' . . 1 $Cardiac_Troponin_I_135-209 . . 250 . . uM . . . . 27476 1 2 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 27476 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27476 1 4 DSS [U-2H] . . . . . . 0.5 . . mM . . . . 27476 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 27476 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 27476 _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' 100 . mM 27476 1 pH 6.8 . pH 27476 1 pressure 1 . atm 27476 1 temperature 273 . K 27476 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 27476 _Software.ID 1 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27476 1 'Johnson, One Moon Scientific' . . 27476 1 Varian . . 27476 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27476 1 collection 27476 1 processing 27476 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 27476 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 27476 _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 Varian INOVA . 500 . . . 27476 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 27476 _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 . . . . . . . . . . . . . . . . 27476 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27476 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27476 1 4 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27476 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27476 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27476 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27476 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27476 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27476 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 27476 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27476 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27476 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27476 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 27476 _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' . . . 27476 1 2 '2D 1H-13C HSQC' . . . 27476 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 2 2 ARG H H 1 8.380 . . . . . . . . 2 ARG HN . 27476 1 2 . 1 1 2 2 ARG HA H 1 4.405 . . . . . . . . 2 ARG HA . 27476 1 3 . 1 1 2 2 ARG HB2 H 1 1.842 . . . . . . . . 2 ARG HB1 . 27476 1 4 . 1 1 2 2 ARG HG2 H 1 1.842 . . . . . . . . 2 ARG HG1 . 27476 1 5 . 1 1 2 2 ARG HD2 H 1 3.221 . . . . . . . . 2 ARG HD1 . 27476 1 6 . 1 1 2 2 ARG C C 13 176.388 . . . . . . . . 2 ARG C . 27476 1 7 . 1 1 2 2 ARG CA C 13 56.558 . . . . . . . . 2 ARG CA . 27476 1 8 . 1 1 2 2 ARG CB C 13 30.922 . . . . . . . . 2 ARG CB . 27476 1 9 . 1 1 2 2 ARG CG C 13 27.071 . . . . . . . . 2 ARG CG . 27476 1 10 . 1 1 2 2 ARG CD C 13 43.301 . . . . . . . . 2 ARG CD . 27476 1 11 . 1 1 2 2 ARG N N 15 121.434 . . . . . . . . 2 ARG N . 27476 1 12 . 1 1 3 3 GLY H H 1 8.544 . . . . . . . . 3 GLY HN . 27476 1 13 . 1 1 3 3 GLY HA2 H 1 3.942 . . . . . . . . 3 GLY HA1 . 27476 1 14 . 1 1 3 3 GLY C C 13 173.718 . . . . . . . . 3 GLY C . 27476 1 15 . 1 1 3 3 GLY CA C 13 45.223 . . . . . . . . 3 GLY CA . 27476 1 16 . 1 1 3 3 GLY N N 15 110.765 . . . . . . . . 3 GLY N . 27476 1 17 . 1 1 4 4 LYS H H 1 8.149 . . . . . . . . 4 LYS HN . 27476 1 18 . 1 1 4 4 LYS HA H 1 4.246 . . . . . . . . 4 LYS HA . 27476 1 19 . 1 1 4 4 LYS HB2 H 1 1.823 . . . . . . . . 4 LYS HB1 . 27476 1 20 . 1 1 4 4 LYS HG2 H 1 1.372 . . . . . . . . 4 LYS HG1 . 27476 1 21 . 1 1 4 4 LYS HD2 H 1 1.668 . . . . . . . . 4 LYS HD1 . 27476 1 22 . 1 1 4 4 LYS C C 13 176.232 . . . . . . . . 4 LYS C . 27476 1 23 . 1 1 4 4 LYS CA C 13 56.260 . . . . . . . . 4 LYS CA . 27476 1 24 . 1 1 4 4 LYS CB C 13 33.197 . . . . . . . . 4 LYS CB . 27476 1 25 . 1 1 4 4 LYS CG C 13 24.769 . . . . . . . . 4 LYS CG . 27476 1 26 . 1 1 4 4 LYS CD C 13 29.093 . . . . . . . . 4 LYS CD . 27476 1 27 . 1 1 4 4 LYS CE C 13 42.357 . . . . . . . . 4 LYS CE . 27476 1 28 . 1 1 4 4 LYS N N 15 120.736 . . . . . . . . 4 LYS N . 27476 1 29 . 1 1 5 5 PHE H H 1 8.244 . . . . . . . . 5 PHE HN . 27476 1 30 . 1 1 5 5 PHE HA H 1 3.120 . . . . . . . . 5 PHE HA . 27476 1 31 . 1 1 5 5 PHE HB2 H 1 3.017 . . . . . . . . 5 PHE HB1 . 27476 1 32 . 1 1 5 5 PHE C C 13 175.293 . . . . . . . . 5 PHE C . 27476 1 33 . 1 1 5 5 PHE CA C 13 57.468 . . . . . . . . 5 PHE CA . 27476 1 34 . 1 1 5 5 PHE CB C 13 39.798 . . . . . . . . 5 PHE CB . 27476 1 35 . 1 1 5 5 PHE N N 15 122.582 . . . . . . . . 5 PHE N . 27476 1 36 . 1 1 6 6 LYS H H 1 8.220 . . . . . . . . 6 LYS HN . 27476 1 37 . 1 1 6 6 LYS HA H 1 4.290 . . . . . . . . 6 LYS HA . 27476 1 38 . 1 1 6 6 LYS HB2 H 1 1.747 . . . . . . . . 6 LYS HB1 . 27476 1 39 . 1 1 6 6 LYS HG2 H 1 1.366 . . . . . . . . 6 LYS HG1 . 27476 1 40 . 1 1 6 6 LYS HD2 H 1 1.671 . . . . . . . . 6 LYS HD1 . 27476 1 41 . 1 1 6 6 LYS HE2 H 1 2.989 . . . . . . . . 6 LYS HE1 . 27476 1 42 . 1 1 6 6 LYS C C 13 175.690 . . . . . . . . 6 LYS C . 27476 1 43 . 1 1 6 6 LYS CA C 13 55.916 . . . . . . . . 6 LYS CA . 27476 1 44 . 1 1 6 6 LYS CB C 13 33.294 . . . . . . . . 6 LYS CB . 27476 1 45 . 1 1 6 6 LYS CE C 13 41.929 . . . . . . . . 6 LYS CE . 27476 1 46 . 1 1 6 6 LYS N N 15 124.137 . . . . . . . . 6 LYS N . 27476 1 47 . 1 1 7 7 ARG H H 1 8.339 . . . . . . . . 7 ARG HN . 27476 1 48 . 1 1 7 7 ARG C C 13 174.313 . . . . . . . . 7 ARG C . 27476 1 49 . 1 1 7 7 ARG CA C 13 55.042 . . . . . . . . 7 ARG CA . 27476 1 50 . 1 1 7 7 ARG CB C 13 30.246 . . . . . . . . 7 ARG CB . 27476 1 51 . 1 1 7 7 ARG N N 15 124.137 . . . . . . . . 7 ARG N . 27476 1 52 . 1 1 8 8 PRO HA H 1 4.489 . . . . . . . . 8 PRO HA . 27476 1 53 . 1 1 8 8 PRO HB2 H 1 2.317 . . . . . . . . 8 PRO HB1 . 27476 1 54 . 1 1 8 8 PRO HB3 H 1 1.915 . . . . . . . . 8 PRO HB2 . 27476 1 55 . 1 1 8 8 PRO HG2 H 1 2.052 . . . . . . . . 8 PRO HG1 . 27476 1 56 . 1 1 8 8 PRO HD2 H 1 3.845 . . . . . . . . 8 PRO HD1 . 27476 1 57 . 1 1 8 8 PRO HD3 H 1 3.684 . . . . . . . . 8 PRO HD2 . 27476 1 58 . 1 1 8 8 PRO C C 13 176.883 . . . . . . . . 8 PRO C . 27476 1 59 . 1 1 8 8 PRO CA C 13 63.173 . . . . . . . . 8 PRO CA . 27476 1 60 . 1 1 8 8 PRO CB C 13 32.205 . . . . . . . . 8 PRO CB . 27476 1 61 . 1 1 8 8 PRO CG C 13 27.397 . . . . . . . . 8 PRO CG . 27476 1 62 . 1 1 8 8 PRO CD C 13 51.068 . . . . . . . . 8 PRO CD . 27476 1 63 . 1 1 9 9 THR H H 1 8.272 . . . . . . . . 9 THR HN . 27476 1 64 . 1 1 9 9 THR HA H 1 4.279 . . . . . . . . 9 THR HA . 27476 1 65 . 1 1 9 9 THR HB H 1 4.159 . . . . . . . . 9 THR HB . 27476 1 66 . 1 1 9 9 THR HG21 H 1 1.216 . . . . . . . . 9 THR HG1 . 27476 1 67 . 1 1 9 9 THR HG22 H 1 1.216 . . . . . . . . 9 THR HG1 . 27476 1 68 . 1 1 9 9 THR HG23 H 1 1.216 . . . . . . . . 9 THR HG1 . 27476 1 69 . 1 1 9 9 THR C C 13 174.400 . . . . . . . . 9 THR C . 27476 1 70 . 1 1 9 9 THR CA C 13 62.010 . . . . . . . . 9 THR CA . 27476 1 71 . 1 1 9 9 THR CB C 13 69.825 . . . . . . . . 9 THR CB . 27476 1 72 . 1 1 9 9 THR CG2 C 13 21.747 . . . . . . . . 9 THR CG2 . 27476 1 73 . 1 1 9 9 THR N N 15 115.503 . . . . . . . . 9 THR N . 27476 1 74 . 1 1 10 10 LEU H H 1 8.270 . . . . . . . . 10 LEU HN . 27476 1 75 . 1 1 10 10 LEU HA H 1 4.374 . . . . . . . . 10 LEU HA . 27476 1 76 . 1 1 10 10 LEU HB2 H 1 1.610 . . . . . . . . 10 LEU HB1 . 27476 1 77 . 1 1 10 10 LEU HG H 1 1.610 . . . . . . . . 10 LEU HG . 27476 1 78 . 1 1 10 10 LEU HD11 H 1 0.923 . . . . . . . . 10 LEU HD11 . 27476 1 79 . 1 1 10 10 LEU HD12 H 1 0.923 . . . . . . . . 10 LEU HD12 . 27476 1 80 . 1 1 10 10 LEU HD13 H 1 0.923 . . . . . . . . 10 LEU HD13 . 27476 1 81 . 1 1 10 10 LEU C C 13 176.928 . . . . . . . . 10 LEU C . 27476 1 82 . 1 1 10 10 LEU CA C 13 55.156 . . . . . . . . 10 LEU CA . 27476 1 83 . 1 1 10 10 LEU CB C 13 42.528 . . . . . . . . 10 LEU CB . 27476 1 84 . 1 1 10 10 LEU CG C 13 27.089 . . . . . . . . 10 LEU CG . 27476 1 85 . 1 1 10 10 LEU CD1 C 13 24.832 . . . . . . . . 10 LEU CD1 . 27476 1 86 . 1 1 10 10 LEU CD2 C 13 23.694 . . . . . . . . 10 LEU CD2 . 27476 1 87 . 1 1 10 10 LEU N N 15 125.369 . . . . . . . . 10 LEU N . 27476 1 88 . 1 1 11 11 ARG H H 1 8.351 . . . . . . . . 11 ARG HN . 27476 1 89 . 1 1 11 11 ARG HA H 1 4.322 . . . . . . . . 11 ARG HA . 27476 1 90 . 1 1 11 11 ARG HB2 H 1 1.811 . . . . . . . . 11 ARG HB1 . 27476 1 91 . 1 1 11 11 ARG HB3 H 1 1.758 . . . . . . . . 11 ARG HB2 . 27476 1 92 . 1 1 11 11 ARG HG2 H 1 1.598 . . . . . . . . 11 ARG HG1 . 27476 1 93 . 1 1 11 11 ARG HD2 H 1 3.197 . . . . . . . . 11 ARG HD1 . 27476 1 94 . 1 1 11 11 ARG C C 13 175.965 . . . . . . . . 11 ARG C . 27476 1 95 . 1 1 11 11 ARG CA C 13 56.149 . . . . . . . . 11 ARG CA . 27476 1 96 . 1 1 11 11 ARG CB C 13 30.918 . . . . . . . . 11 ARG CB . 27476 1 97 . 1 1 11 11 ARG CG C 13 27.222 . . . . . . . . 11 ARG CG . 27476 1 98 . 1 1 11 11 ARG CD C 13 43.213 . . . . . . . . 11 ARG CD . 27476 1 99 . 1 1 11 11 ARG N N 15 122.758 . . . . . . . . 11 ARG N . 27476 1 100 . 1 1 12 12 ARG H H 1 8.397 . . . . . . . . 12 ARG HN . 27476 1 101 . 1 1 12 12 ARG HA H 1 4.345 . . . . . . . . 12 ARG HA . 27476 1 102 . 1 1 12 12 ARG HB2 H 1 1.778 . . . . . . . . 12 ARG HB1 . 27476 1 103 . 1 1 12 12 ARG HG2 H 1 1.628 . . . . . . . . 12 ARG HG1 . 27476 1 104 . 1 1 12 12 ARG HD2 H 1 3.198 . . . . . . . . 12 ARG HD1 . 27476 1 105 . 1 1 12 12 ARG C C 13 176.051 . . . . . . . . 12 ARG C . 27476 1 106 . 1 1 12 12 ARG CA C 13 56.327 . . . . . . . . 12 ARG CA . 27476 1 107 . 1 1 12 12 ARG CB C 13 29.588 . . . . . . . . 12 ARG CB . 27476 1 108 . 1 1 12 12 ARG CG C 13 27.202 . . . . . . . . 12 ARG CG . 27476 1 109 . 1 1 12 12 ARG CD C 13 43.272 . . . . . . . . 12 ARG CD . 27476 1 110 . 1 1 12 12 ARG N N 15 123.086 . . . . . . . . 12 ARG N . 27476 1 111 . 1 1 13 13 VAL H H 1 8.185 . . . . . . . . 13 VAL HN . 27476 1 112 . 1 1 13 13 VAL HA H 1 4.097 . . . . . . . . 13 VAL HA . 27476 1 113 . 1 1 13 13 VAL HB H 1 2.055 . . . . . . . . 13 VAL HB . 27476 1 114 . 1 1 13 13 VAL HG11 H 1 0.924 . . . . . . . . 13 VAL HG11 . 27476 1 115 . 1 1 13 13 VAL HG12 H 1 0.924 . . . . . . . . 13 VAL HG12 . 27476 1 116 . 1 1 13 13 VAL HG13 H 1 0.924 . . . . . . . . 13 VAL HG13 . 27476 1 117 . 1 1 13 13 VAL C C 13 175.834 . . . . . . . . 13 VAL C . 27476 1 118 . 1 1 13 13 VAL CA C 13 62.256 . . . . . . . . 13 VAL CA . 27476 1 119 . 1 1 13 13 VAL CB C 13 32.964 . . . . . . . . 13 VAL CB . 27476 1 120 . 1 1 13 13 VAL CG1 C 13 21.184 . . . . . . . . 13 VAL CG1 . 27476 1 121 . 1 1 13 13 VAL N N 15 121.888 . . . . . . . . 13 VAL N . 27476 1 122 . 1 1 14 14 ARG H H 1 8.427 . . . . . . . . 14 ARG HN . 27476 1 123 . 1 1 14 14 ARG HA H 1 4.379 . . . . . . . . 14 ARG HA . 27476 1 124 . 1 1 14 14 ARG HB2 H 1 1.816 . . . . . . . . 14 ARG HB1 . 27476 1 125 . 1 1 14 14 ARG HG2 H 1 1.581 . . . . . . . . 14 ARG HG1 . 27476 1 126 . 1 1 14 14 ARG HD2 H 1 3.040 . . . . . . . . 14 ARG HD2 . 27476 1 127 . 1 1 14 14 ARG C C 13 175.948 . . . . . . . . 14 ARG C . 27476 1 128 . 1 1 14 14 ARG CA C 13 56.309 . . . . . . . . 14 ARG CA . 27476 1 129 . 1 1 14 14 ARG CB C 13 30.950 . . . . . . . . 14 ARG CB . 27476 1 130 . 1 1 14 14 ARG CG C 13 29.093 . . . . . . . . 14 ARG CG . 27476 1 131 . 1 1 14 14 ARG CD C 13 42.357 . . . . . . . . 14 ARG CD . 27476 1 132 . 1 1 14 14 ARG N N 15 125.373 . . . . . . . . 14 ARG N . 27476 1 133 . 1 1 15 15 ILE H H 1 8.234 . . . . . . . . 15 ILE HN . 27476 1 134 . 1 1 15 15 ILE HA H 1 4.230 . . . . . . . . 15 ILE HA . 27476 1 135 . 1 1 15 15 ILE HB H 1 1.877 . . . . . . . . 15 ILE HB . 27476 1 136 . 1 1 15 15 ILE HD11 H 1 0.848 . . . . . . . . 15 ILE HD11 . 27476 1 137 . 1 1 15 15 ILE HD12 H 1 0.848 . . . . . . . . 15 ILE HD12 . 27476 1 138 . 1 1 15 15 ILE HD13 H 1 0.848 . . . . . . . . 15 ILE HD13 . 27476 1 139 . 1 1 15 15 ILE C C 13 176.052 . . . . . . . . 15 ILE C . 27476 1 140 . 1 1 15 15 ILE CA C 13 60.986 . . . . . . . . 15 ILE CA . 27476 1 141 . 1 1 15 15 ILE CB C 13 39.051 . . . . . . . . 15 ILE CB . 27476 1 142 . 1 1 15 15 ILE CD1 C 13 12.851 . . . . . . . . 15 ILE CD1 . 27476 1 143 . 1 1 15 15 ILE N N 15 122.718 . . . . . . . . 15 ILE N . 27476 1 144 . 1 1 16 16 SER H H 1 8.369 . . . . . . . . 16 SER HN . 27476 1 145 . 1 1 16 16 SER HA H 1 4.442 . . . . . . . . 16 SER HA . 27476 1 146 . 1 1 16 16 SER HB2 H 1 3.994 . . . . . . . . 16 SER HB1 . 27476 1 147 . 1 1 16 16 SER HB3 H 1 3.901 . . . . . . . . 16 SER HB2 . 27476 1 148 . 1 1 16 16 SER C C 13 174.550 . . . . . . . . 16 SER C . 27476 1 149 . 1 1 16 16 SER CA C 13 58.223 . . . . . . . . 16 SER CA . 27476 1 150 . 1 1 16 16 SER CB C 13 64.107 . . . . . . . . 16 SER CB . 27476 1 151 . 1 1 16 16 SER N N 15 120.153 . . . . . . . . 16 SER N . 27476 1 152 . 1 1 17 17 ALA H H 1 8.517 . . . . . . . . 17 ALA HN . 27476 1 153 . 1 1 17 17 ALA HA H 1 4.279 . . . . . . . . 17 ALA HA . 27476 1 154 . 1 1 17 17 ALA HB1 H 1 1.434 . . . . . . . . 17 ALA HB1 . 27476 1 155 . 1 1 17 17 ALA HB2 H 1 1.434 . . . . . . . . 17 ALA HB2 . 27476 1 156 . 1 1 17 17 ALA HB3 H 1 1.434 . . . . . . . . 17 ALA HB3 . 27476 1 157 . 1 1 17 17 ALA C C 13 178.366 . . . . . . . . 17 ALA C . 27476 1 158 . 1 1 17 17 ALA CA C 13 53.700 . . . . . . . . 17 ALA CA . 27476 1 159 . 1 1 17 17 ALA CB C 13 18.891 . . . . . . . . 17 ALA CB . 27476 1 160 . 1 1 17 17 ALA N N 15 126.015 . . . . . . . . 17 ALA N . 27476 1 161 . 1 1 18 18 ASP H H 1 8.238 . . . . . . . . 18 ASP HN . 27476 1 162 . 1 1 18 18 ASP HA H 1 4.506 . . . . . . . . 18 ASP HA . 27476 1 163 . 1 1 18 18 ASP HB2 H 1 2.677 . . . . . . . . 18 ASP HB2 . 27476 1 164 . 1 1 18 18 ASP C C 13 177.032 . . . . . . . . 18 ASP C . 27476 1 165 . 1 1 18 18 ASP CA C 13 55.313 . . . . . . . . 18 ASP CA . 27476 1 166 . 1 1 18 18 ASP CB C 13 41.079 . . . . . . . . 18 ASP CB . 27476 1 167 . 1 1 18 18 ASP N N 15 118.557 . . . . . . . . 18 ASP N . 27476 1 168 . 1 1 19 19 ALA H H 1 8.101 . . . . . . . . 19 ALA HN . 27476 1 169 . 1 1 19 19 ALA HA H 1 4.198 . . . . . . . . 19 ALA HA . 27476 1 170 . 1 1 19 19 ALA HB1 H 1 1.458 . . . . . . . . 19 ALA HB1 . 27476 1 171 . 1 1 19 19 ALA HB2 H 1 1.458 . . . . . . . . 19 ALA HB2 . 27476 1 172 . 1 1 19 19 ALA HB3 H 1 1.458 . . . . . . . . 19 ALA HB3 . 27476 1 173 . 1 1 19 19 ALA C C 13 179.454 . . . . . . . . 19 ALA C . 27476 1 174 . 1 1 19 19 ALA CA C 13 57.059 . . . . . . . . 19 ALA CA . 27476 1 175 . 1 1 19 19 ALA CB C 13 18.798 . . . . . . . . 19 ALA CB . 27476 1 176 . 1 1 19 19 ALA N N 15 123.897 . . . . . . . . 19 ALA N . 27476 1 177 . 1 1 20 20 MET H H 1 8.198 . . . . . . . . 20 MET HN . 27476 1 178 . 1 1 20 20 MET HA H 1 4.340 . . . . . . . . 20 MET HA . 27476 1 179 . 1 1 20 20 MET HG2 H 1 2.569 . . . . . . . . 20 MET HG1 . 27476 1 180 . 1 1 20 20 MET HG3 H 1 2.657 . . . . . . . . 20 MET HG2 . 27476 1 181 . 1 1 20 20 MET C C 13 177.542 . . . . . . . . 20 MET C . 27476 1 182 . 1 1 20 20 MET CA C 13 57.135 . . . . . . . . 20 MET CA . 27476 1 183 . 1 1 20 20 MET CB C 13 32.296 . . . . . . . . 20 MET CB . 27476 1 184 . 1 1 20 20 MET N N 15 118.318 . . . . . . . . 20 MET N . 27476 1 185 . 1 1 21 21 MET H H 1 8.091 . . . . . . . . 21 MET HN . 27476 1 186 . 1 1 21 21 MET HA H 1 4.371 . . . . . . . . 21 MET HA . 27476 1 187 . 1 1 21 21 MET HB2 H 1 2.155 . . . . . . . . 21 MET HB1 . 27476 1 188 . 1 1 21 21 MET HG2 H 1 2.651 . . . . . . . . 21 MET HG1 . 27476 1 189 . 1 1 21 21 MET C C 13 177.598 . . . . . . . . 21 MET C . 27476 1 190 . 1 1 21 21 MET CA C 13 56.934 . . . . . . . . 21 MET CA . 27476 1 191 . 1 1 21 21 MET CB C 13 32.187 . . . . . . . . 21 MET CB . 27476 1 192 . 1 1 21 21 MET CG C 13 32.149 . . . . . . . . 21 MET CG . 27476 1 193 . 1 1 21 21 MET N N 15 119.720 . . . . . . . . 21 MET N . 27476 1 194 . 1 1 22 22 GLN H H 1 8.207 . . . . . . . . 22 GLN HN . 27476 1 195 . 1 1 22 22 GLN HA H 1 4.133 . . . . . . . . 22 GLN HA . 27476 1 196 . 1 1 22 22 GLN HB2 H 1 2.092 . . . . . . . . 22 GLN HB1 . 27476 1 197 . 1 1 22 22 GLN HG2 H 1 2.421 . . . . . . . . 22 GLN HG1 . 27476 1 198 . 1 1 22 22 GLN HE21 H 1 7.482 . . . . . . . . 22 GLN HE21 . 27476 1 199 . 1 1 22 22 GLN C C 13 177.354 . . . . . . . . 22 GLN C . 27476 1 200 . 1 1 22 22 GLN CA C 13 57.582 . . . . . . . . 22 GLN CA . 27476 1 201 . 1 1 22 22 GLN CB C 13 28.811 . . . . . . . . 22 GLN CB . 27476 1 202 . 1 1 22 22 GLN N N 15 119.402 . . . . . . . . 22 GLN N . 27476 1 203 . 1 1 23 23 ALA H H 1 8.005 . . . . . . . . 23 ALA HN . 27476 1 204 . 1 1 23 23 ALA HA H 1 4.250 . . . . . . . . 23 ALA HA . 27476 1 205 . 1 1 23 23 ALA HB1 H 1 1.462 . . . . . . . . 23 ALA HB1 . 27476 1 206 . 1 1 23 23 ALA HB2 H 1 1.462 . . . . . . . . 23 ALA HB2 . 27476 1 207 . 1 1 23 23 ALA HB3 H 1 1.462 . . . . . . . . 23 ALA HB3 . 27476 1 208 . 1 1 23 23 ALA C C 13 178.855 . . . . . . . . 23 ALA C . 27476 1 209 . 1 1 23 23 ALA CA C 13 53.702 . . . . . . . . 23 ALA CA . 27476 1 210 . 1 1 23 23 ALA CB C 13 18.656 . . . . . . . . 23 ALA CB . 27476 1 211 . 1 1 23 23 ALA N N 15 122.912 . . . . . . . . 23 ALA N . 27476 1 212 . 1 1 24 24 LEU H H 1 7.930 . . . . . . . . 24 LEU HN . 27476 1 213 . 1 1 24 24 LEU HA H 1 4.271 . . . . . . . . 24 LEU HA . 27476 1 214 . 1 1 24 24 LEU HB2 H 1 1.768 . . . . . . . . 24 LEU HB1 . 27476 1 215 . 1 1 24 24 LEU HG H 1 1.650 . . . . . . . . 24 LEU HG . 27476 1 216 . 1 1 24 24 LEU HD11 H 1 0.929 . . . . . . . . 24 LEU HD11 . 27476 1 217 . 1 1 24 24 LEU HD12 H 1 0.929 . . . . . . . . 24 LEU HD12 . 27476 1 218 . 1 1 24 24 LEU HD13 H 1 0.929 . . . . . . . . 24 LEU HD13 . 27476 1 219 . 1 1 24 24 LEU C C 13 178.246 . . . . . . . . 24 LEU C . 27476 1 220 . 1 1 24 24 LEU CA C 13 56.238 . . . . . . . . 24 LEU CA . 27476 1 221 . 1 1 24 24 LEU CB C 13 42.218 . . . . . . . . 24 LEU CB . 27476 1 222 . 1 1 24 24 LEU CG C 13 27.010 . . . . . . . . 24 LEU CG . 27476 1 223 . 1 1 24 24 LEU CD1 C 13 25.515 . . . . . . . . 24 LEU CD1 . 27476 1 224 . 1 1 24 24 LEU CD2 C 13 23.481 . . . . . . . . 24 LEU CD2 . 27476 1 225 . 1 1 24 24 LEU N N 15 119.924 . . . . . . . . 24 LEU N . 27476 1 226 . 1 1 25 25 LEU H H 1 8.036 . . . . . . . . 25 LEU HN . 27476 1 227 . 1 1 25 25 LEU HA H 1 4.262 . . . . . . . . 25 LEU HA . 27476 1 228 . 1 1 25 25 LEU HB2 H 1 1.750 . . . . . . . . 25 LEU HB1 . 27476 1 229 . 1 1 25 25 LEU HG H 1 1.585 . . . . . . . . 25 LEU HG . 27476 1 230 . 1 1 25 25 LEU HD11 H 1 0.898 . . . . . . . . 25 LEU HD11 . 27476 1 231 . 1 1 25 25 LEU HD12 H 1 0.898 . . . . . . . . 25 LEU HD12 . 27476 1 232 . 1 1 25 25 LEU HD13 H 1 0.898 . . . . . . . . 25 LEU HD13 . 27476 1 233 . 1 1 25 25 LEU C C 13 178.684 . . . . . . . . 25 LEU C . 27476 1 234 . 1 1 25 25 LEU CA C 13 56.075 . . . . . . . . 25 LEU CA . 27476 1 235 . 1 1 25 25 LEU CB C 13 42.268 . . . . . . . . 25 LEU CB . 27476 1 236 . 1 1 25 25 LEU CG C 13 26.966 . . . . . . . . 25 LEU CG . 27476 1 237 . 1 1 25 25 LEU CD1 C 13 25.125 . . . . . . . . 25 LEU CD1 . 27476 1 238 . 1 1 25 25 LEU CD2 C 13 23.131 . . . . . . . . 25 LEU CD2 . 27476 1 239 . 1 1 25 25 LEU N N 15 120.601 . . . . . . . . 25 LEU N . 27476 1 240 . 1 1 26 26 GLY H H 1 8.183 . . . . . . . . 26 GLY HN . 27476 1 241 . 1 1 26 26 GLY HA2 H 1 3.949 . . . . . . . . 26 GLY HA1 . 27476 1 242 . 1 1 26 26 GLY C C 13 174.544 . . . . . . . . 26 GLY C . 27476 1 243 . 1 1 26 26 GLY CA C 13 45.732 . . . . . . . . 26 GLY CA . 27476 1 244 . 1 1 26 26 GLY N N 15 108.311 . . . . . . . . 26 GLY N . 27476 1 245 . 1 1 27 27 ALA H H 1 8.039 . . . . . . . . 27 ALA HN . 27476 1 246 . 1 1 27 27 ALA HA H 1 4.294 . . . . . . . . 27 ALA HA . 27476 1 247 . 1 1 27 27 ALA HB1 H 1 1.441 . . . . . . . . 27 ALA HB1 . 27476 1 248 . 1 1 27 27 ALA HB2 H 1 1.441 . . . . . . . . 27 ALA HB2 . 27476 1 249 . 1 1 27 27 ALA HB3 H 1 1.441 . . . . . . . . 27 ALA HB3 . 27476 1 250 . 1 1 27 27 ALA C C 13 178.380 . . . . . . . . 27 ALA C . 27476 1 251 . 1 1 27 27 ALA CA C 13 53.257 . . . . . . . . 27 ALA CA . 27476 1 252 . 1 1 27 27 ALA CB C 13 19.080 . . . . . . . . 27 ALA CB . 27476 1 253 . 1 1 27 27 ALA N N 15 123.838 . . . . . . . . 27 ALA N . 27476 1 254 . 1 1 28 28 ARG H H 1 8.161 . . . . . . . . 28 ARG HN . 27476 1 255 . 1 1 28 28 ARG HA H 1 4.293 . . . . . . . . 28 ARG HA . 27476 1 256 . 1 1 28 28 ARG HB2 H 1 1.907 . . . . . . . . 28 ARG HB1 . 27476 1 257 . 1 1 28 28 ARG HB3 H 1 1.809 . . . . . . . . 28 ARG HB2 . 27476 1 258 . 1 1 28 28 ARG HG2 H 1 1.698 . . . . . . . . 28 ARG HG1 . 27476 1 259 . 1 1 28 28 ARG HD2 H 1 3.214 . . . . . . . . 28 ARG HD1 . 27476 1 260 . 1 1 28 28 ARG C C 13 176.710 . . . . . . . . 28 ARG C . 27476 1 261 . 1 1 28 28 ARG CA C 13 56.550 . . . . . . . . 28 ARG CA . 27476 1 262 . 1 1 28 28 ARG CB C 13 30.607 . . . . . . . . 28 ARG CB . 27476 1 263 . 1 1 28 28 ARG CG C 13 27.126 . . . . . . . . 28 ARG CG . 27476 1 264 . 1 1 28 28 ARG CD C 13 43.602 . . . . . . . . 28 ARG CD . 27476 1 265 . 1 1 28 28 ARG N N 15 119.049 . . . . . . . . 28 ARG N . 27476 1 266 . 1 1 29 29 ALA H H 1 8.115 . . . . . . . . 29 ALA HN . 27476 1 267 . 1 1 29 29 ALA HA H 1 4.256 . . . . . . . . 29 ALA HA . 27476 1 268 . 1 1 29 29 ALA HB1 H 1 1.437 . . . . . . . . 29 ALA HB1 . 27476 1 269 . 1 1 29 29 ALA HB2 H 1 1.437 . . . . . . . . 29 ALA HB2 . 27476 1 270 . 1 1 29 29 ALA HB3 H 1 1.437 . . . . . . . . 29 ALA HB3 . 27476 1 271 . 1 1 29 29 ALA C C 13 178.252 . . . . . . . . 29 ALA C . 27476 1 272 . 1 1 29 29 ALA CA C 13 53.118 . . . . . . . . 29 ALA CA . 27476 1 273 . 1 1 29 29 ALA CB C 13 19.079 . . . . . . . . 29 ALA CB . 27476 1 274 . 1 1 29 29 ALA N N 15 124.209 . . . . . . . . 29 ALA N . 27476 1 275 . 1 1 30 30 LYS H H 1 8.180 . . . . . . . . 30 LYS HN . 27476 1 276 . 1 1 30 30 LYS HA H 1 4.209 . . . . . . . . 30 LYS HA . 27476 1 277 . 1 1 30 30 LYS HB2 H 1 1.668 . . . . . . . . 30 LYS HB1 . 27476 1 278 . 1 1 30 30 LYS HG2 H 1 1.250 . . . . . . . . 30 LYS HG1 . 27476 1 279 . 1 1 30 30 LYS HD2 H 1 1.668 . . . . . . . . 30 LYS HD1 . 27476 1 280 . 1 1 30 30 LYS HE2 H 1 2.959 . . . . . . . . 30 LYS HE1 . 27476 1 281 . 1 1 30 30 LYS C C 13 177.037 . . . . . . . . 30 LYS C . 27476 1 282 . 1 1 30 30 LYS CA C 13 57.015 . . . . . . . . 30 LYS CA . 27476 1 283 . 1 1 30 30 LYS CB C 13 32.947 . . . . . . . . 30 LYS CB . 27476 1 284 . 1 1 30 30 LYS CD C 13 30.210 . . . . . . . . 30 LYS CD . 27476 1 285 . 1 1 30 30 LYS CE C 13 42.379 . . . . . . . . 30 LYS CE . 27476 1 286 . 1 1 30 30 LYS N N 15 119.927 . . . . . . . . 30 LYS N . 27476 1 287 . 1 1 31 31 GLU H H 1 8.316 . . . . . . . . 31 GLU HN . 27476 1 288 . 1 1 31 31 GLU HA H 1 4.281 . . . . . . . . 31 GLU HA . 27476 1 289 . 1 1 31 31 GLU HB2 H 1 2.084 . . . . . . . . 31 GLU HB1 . 27476 1 290 . 1 1 31 31 GLU HB3 H 1 2.007 . . . . . . . . 31 GLU HB2 . 27476 1 291 . 1 1 31 31 GLU HG2 H 1 2.302 . . . . . . . . 31 GLU HG1 . 27476 1 292 . 1 1 31 31 GLU C C 13 176.868 . . . . . . . . 31 GLU C . 27476 1 293 . 1 1 31 31 GLU CA C 13 57.200 . . . . . . . . 31 GLU CA . 27476 1 294 . 1 1 31 31 GLU CB C 13 30.199 . . . . . . . . 31 GLU CB . 27476 1 295 . 1 1 31 31 GLU CG C 13 36.323 . . . . . . . . 31 GLU CG . 27476 1 296 . 1 1 31 31 GLU N N 15 120.819 . . . . . . . . 31 GLU N . 27476 1 297 . 1 1 32 32 SER H H 1 8.191 . . . . . . . . 32 SER HN . 27476 1 298 . 1 1 32 32 SER HA H 1 4.424 . . . . . . . . 32 SER HA . 27476 1 299 . 1 1 32 32 SER HB2 H 1 3.909 . . . . . . . . 32 SER HB1 . 27476 1 300 . 1 1 32 32 SER C C 13 174.869 . . . . . . . . 32 SER C . 27476 1 301 . 1 1 32 32 SER CA C 13 63.734 . . . . . . . . 32 SER CA . 27476 1 302 . 1 1 32 32 SER N N 15 116.028 . . . . . . . . 32 SER N . 27476 1 303 . 1 1 33 33 LEU H H 1 8.170 . . . . . . . . 33 LEU HN . 27476 1 304 . 1 1 33 33 LEU HA H 1 4.278 . . . . . . . . 33 LEU HA . 27476 1 305 . 1 1 33 33 LEU HB2 H 1 1.604 . . . . . . . . 33 LEU HB1 . 27476 1 306 . 1 1 33 33 LEU HG H 1 1.581 . . . . . . . . 33 LEU HG . 27476 1 307 . 1 1 33 33 LEU HD11 H 1 0.907 . . . . . . . . 33 LEU HD11 . 27476 1 308 . 1 1 33 33 LEU HD12 H 1 0.907 . . . . . . . . 33 LEU HD12 . 27476 1 309 . 1 1 33 33 LEU HD13 H 1 0.907 . . . . . . . . 33 LEU HD13 . 27476 1 310 . 1 1 33 33 LEU C C 13 177.380 . . . . . . . . 33 LEU C . 27476 1 311 . 1 1 33 33 LEU CA C 13 55.948 . . . . . . . . 33 LEU CA . 27476 1 312 . 1 1 33 33 LEU CB C 13 42.338 . . . . . . . . 33 LEU CB . 27476 1 313 . 1 1 33 33 LEU CG C 13 27.077 . . . . . . . . 33 LEU CG . 27476 1 314 . 1 1 33 33 LEU CD1 C 13 24.832 . . . . . . . . 33 LEU CD1 . 27476 1 315 . 1 1 33 33 LEU CD2 C 13 23.584 . . . . . . . . 33 LEU CD2 . 27476 1 316 . 1 1 33 33 LEU N N 15 124.027 . . . . . . . . 33 LEU N . 27476 1 317 . 1 1 34 34 ASP H H 1 8.284 . . . . . . . . 34 ASP HN . 27476 1 318 . 1 1 34 34 ASP HA H 1 4.585 . . . . . . . . 34 ASP HA . 27476 1 319 . 1 1 34 34 ASP HB2 H 1 2.768 . . . . . . . . 34 ASP HB1 . 27476 1 320 . 1 1 34 34 ASP HB3 H 1 2.635 . . . . . . . . 34 ASP HB2 . 27476 1 321 . 1 1 34 34 ASP C C 13 176.929 . . . . . . . . 34 ASP C . 27476 1 322 . 1 1 34 34 ASP CA C 13 54.571 . . . . . . . . 34 ASP CA . 27476 1 323 . 1 1 34 34 ASP CB C 13 40.986 . . . . . . . . 34 ASP CB . 27476 1 324 . 1 1 34 34 ASP N N 15 120.868 . . . . . . . . 34 ASP N . 27476 1 325 . 1 1 35 35 LEU H H 1 8.170 . . . . . . . . 35 LEU HN . 27476 1 326 . 1 1 35 35 LEU HA H 1 4.247 . . . . . . . . 35 LEU HA . 27476 1 327 . 1 1 35 35 LEU HB2 H 1 1.681 . . . . . . . . 35 LEU HB1 . 27476 1 328 . 1 1 35 35 LEU HD11 H 1 0.949 . . . . . . . . 35 LEU HD11 . 27476 1 329 . 1 1 35 35 LEU HD12 H 1 0.949 . . . . . . . . 35 LEU HD12 . 27476 1 330 . 1 1 35 35 LEU HD13 H 1 0.949 . . . . . . . . 35 LEU HD13 . 27476 1 331 . 1 1 35 35 LEU HD21 H 1 0.880 . . . . . . . . 35 LEU HD21 . 27476 1 332 . 1 1 35 35 LEU HD22 H 1 0.880 . . . . . . . . 35 LEU HD22 . 27476 1 333 . 1 1 35 35 LEU HD23 H 1 0.880 . . . . . . . . 35 LEU HD23 . 27476 1 334 . 1 1 35 35 LEU C C 13 178.210 . . . . . . . . 35 LEU C . 27476 1 335 . 1 1 35 35 LEU CA C 13 56.257 . . . . . . . . 35 LEU CA . 27476 1 336 . 1 1 35 35 LEU CB C 13 41.914 . . . . . . . . 35 LEU CB . 27476 1 337 . 1 1 35 35 LEU CG C 13 27.059 . . . . . . . . 35 LEU CG . 27476 1 338 . 1 1 35 35 LEU CD1 C 13 24.939 . . . . . . . . 35 LEU CD1 . 27476 1 339 . 1 1 35 35 LEU CD2 C 13 23.462 . . . . . . . . 35 LEU CD2 . 27476 1 340 . 1 1 35 35 LEU N N 15 123.232 . . . . . . . . 35 LEU N . 27476 1 341 . 1 1 36 36 ARG H H 1 8.141 . . . . . . . . 36 ARG HN . 27476 1 342 . 1 1 36 36 ARG HA H 1 4.191 . . . . . . . . 36 ARG HA . 27476 1 343 . 1 1 36 36 ARG HB2 H 1 1.861 . . . . . . . . 36 ARG HB1 . 27476 1 344 . 1 1 36 36 ARG HG2 H 1 1.671 . . . . . . . . 36 ARG HG1 . 27476 1 345 . 1 1 36 36 ARG HD2 H 1 3.214 . . . . . . . . 36 ARG HD1 . 27476 1 346 . 1 1 36 36 ARG C C 13 176.969 . . . . . . . . 36 ARG C . 27476 1 347 . 1 1 36 36 ARG CA C 13 57.179 . . . . . . . . 36 ARG CA . 27476 1 348 . 1 1 36 36 ARG CB C 13 30.280 . . . . . . . . 36 ARG CB . 27476 1 349 . 1 1 36 36 ARG CG C 13 27.261 . . . . . . . . 36 ARG CG . 27476 1 350 . 1 1 36 36 ARG CD C 13 43.570 . . . . . . . . 36 ARG CD . 27476 1 351 . 1 1 36 36 ARG N N 15 119.209 . . . . . . . . 36 ARG N . 27476 1 352 . 1 1 37 37 ALA H H 1 7.952 . . . . . . . . 37 ALA HN . 27476 1 353 . 1 1 37 37 ALA HA H 1 4.192 . . . . . . . . 37 ALA HA . 27476 1 354 . 1 1 37 37 ALA HB1 H 1 1.370 . . . . . . . . 37 ALA HB1 . 27476 1 355 . 1 1 37 37 ALA HB2 H 1 1.370 . . . . . . . . 37 ALA HB2 . 27476 1 356 . 1 1 37 37 ALA HB3 H 1 1.370 . . . . . . . . 37 ALA HB3 . 27476 1 357 . 1 1 37 37 ALA C C 13 178.125 . . . . . . . . 37 ALA C . 27476 1 358 . 1 1 37 37 ALA CA C 13 53.356 . . . . . . . . 37 ALA CA . 27476 1 359 . 1 1 37 37 ALA CB C 13 18.955 . . . . . . . . 37 ALA CB . 27476 1 360 . 1 1 37 37 ALA N N 15 122.546 . . . . . . . . 37 ALA N . 27476 1 361 . 1 1 38 38 HIS H H 1 8.213 . . . . . . . . 38 HIS HN . 27476 1 362 . 1 1 38 38 HIS HA H 1 4.620 . . . . . . . . 38 HIS HA . 27476 1 363 . 1 1 38 38 HIS HB2 H 1 3.262 . . . . . . . . 38 HIS HB1 . 27476 1 364 . 1 1 38 38 HIS HB3 H 1 3.169 . . . . . . . . 38 HIS HB2 . 27476 1 365 . 1 1 38 38 HIS C C 13 175.091 . . . . . . . . 38 HIS C . 27476 1 366 . 1 1 38 38 HIS CA C 13 56.101 . . . . . . . . 38 HIS CA . 27476 1 367 . 1 1 38 38 HIS CB C 13 29.368 . . . . . . . . 38 HIS CB . 27476 1 368 . 1 1 38 38 HIS N N 15 116.808 . . . . . . . . 38 HIS N . 27476 1 369 . 1 1 39 39 LEU H H 1 8.000 . . . . . . . . 39 LEU HN . 27476 1 370 . 1 1 39 39 LEU HA H 1 4.283 . . . . . . . . 39 LEU HA . 27476 1 371 . 1 1 39 39 LEU HB2 H 1 1.675 . . . . . . . . 39 LEU HB1 . 27476 1 372 . 1 1 39 39 LEU HG H 1 1.540 . . . . . . . . 39 LEU HG . 27476 1 373 . 1 1 39 39 LEU HD21 H 1 0.854 . . . . . . . . 39 LEU HD21 . 27476 1 374 . 1 1 39 39 LEU HD22 H 1 0.854 . . . . . . . . 39 LEU HD22 . 27476 1 375 . 1 1 39 39 LEU HD23 H 1 0.854 . . . . . . . . 39 LEU HD23 . 27476 1 376 . 1 1 39 39 LEU C C 13 177.361 . . . . . . . . 39 LEU C . 27476 1 377 . 1 1 39 39 LEU CA C 13 55.569 . . . . . . . . 39 LEU CA . 27476 1 378 . 1 1 39 39 LEU CB C 13 42.295 . . . . . . . . 39 LEU CB . 27476 1 379 . 1 1 39 39 LEU CG C 13 25.039 . . . . . . . . 39 LEU CG . 27476 1 380 . 1 1 39 39 LEU CD1 C 13 23.274 . . . . . . . . 39 LEU CD1 . 27476 1 381 . 1 1 39 39 LEU N N 15 121.974 . . . . . . . . 39 LEU N . 27476 1 382 . 1 1 40 40 LYS H H 1 8.144 . . . . . . . . 40 LYS HN . 27476 1 383 . 1 1 40 40 LYS HA H 1 4.273 . . . . . . . . 40 LYS HA . 27476 1 384 . 1 1 40 40 LYS HB2 H 1 1.829 . . . . . . . . 40 LYS HB1 . 27476 1 385 . 1 1 40 40 LYS HG2 H 1 1.467 . . . . . . . . 40 LYS HG1 . 27476 1 386 . 1 1 40 40 LYS HD2 H 1 1.694 . . . . . . . . 40 LYS HD1 . 27476 1 387 . 1 1 40 40 LYS HE2 H 1 2.996 . . . . . . . . 40 LYS HE1 . 27476 1 388 . 1 1 40 40 LYS C C 13 176.430 . . . . . . . . 40 LYS C . 27476 1 389 . 1 1 40 40 LYS CA C 13 56.601 . . . . . . . . 40 LYS CA . 27476 1 390 . 1 1 40 40 LYS CB C 13 32.892 . . . . . . . . 40 LYS CB . 27476 1 391 . 1 1 40 40 LYS CG C 13 24.797 . . . . . . . . 40 LYS CG . 27476 1 392 . 1 1 40 40 LYS CD C 13 29.102 . . . . . . . . 40 LYS CD . 27476 1 393 . 1 1 40 40 LYS CE C 13 42.199 . . . . . . . . 40 LYS CE . 27476 1 394 . 1 1 40 40 LYS N N 15 121.327 . . . . . . . . 40 LYS N . 27476 1 395 . 1 1 41 41 GLN H H 1 8.254 . . . . . . . . 41 GLN HN . 27476 1 396 . 1 1 41 41 GLN HA H 1 4.335 . . . . . . . . 41 GLN HA . 27476 1 397 . 1 1 41 41 GLN HB2 H 1 2.086 . . . . . . . . 41 GLN HB1 . 27476 1 398 . 1 1 41 41 GLN HB3 H 1 1.994 . . . . . . . . 41 GLN HB2 . 27476 1 399 . 1 1 41 41 GLN HG2 H 1 2.353 . . . . . . . . 41 GLN HG1 . 27476 1 400 . 1 1 41 41 GLN HE21 H 1 7.527 . . . . . . . . 41 GLN HE21 . 27476 1 401 . 1 1 41 41 GLN HE22 H 1 6.862 . . . . . . . . 41 GLN HE22 . 27476 1 402 . 1 1 41 41 GLN C C 13 175.828 . . . . . . . . 41 GLN C . 27476 1 403 . 1 1 41 41 GLN CA C 13 56.222 . . . . . . . . 41 GLN CA . 27476 1 404 . 1 1 41 41 GLN CB C 13 29.588 . . . . . . . . 41 GLN CB . 27476 1 405 . 1 1 41 41 GLN CG C 13 30.865 . . . . . . . . 41 GLN CG . 27476 1 406 . 1 1 41 41 GLN N N 15 121.503 . . . . . . . . 41 GLN N . 27476 1 407 . 1 1 42 42 VAL H H 1 8.158 . . . . . . . . 42 VAL HN . 27476 1 408 . 1 1 42 42 VAL HA H 1 4.097 . . . . . . . . 42 VAL HA . 27476 1 409 . 1 1 42 42 VAL HB H 1 2.055 . . . . . . . . 42 VAL HB . 27476 1 410 . 1 1 42 42 VAL HG11 H 1 0.924 . . . . . . . . 42 VAL HG11 . 27476 1 411 . 1 1 42 42 VAL HG12 H 1 0.924 . . . . . . . . 42 VAL HG12 . 27476 1 412 . 1 1 42 42 VAL HG13 H 1 0.924 . . . . . . . . 42 VAL HG13 . 27476 1 413 . 1 1 42 42 VAL C C 13 175.903 . . . . . . . . 42 VAL C . 27476 1 414 . 1 1 42 42 VAL CA C 13 62.405 . . . . . . . . 42 VAL CA . 27476 1 415 . 1 1 42 42 VAL CB C 13 32.870 . . . . . . . . 42 VAL CB . 27476 1 416 . 1 1 42 42 VAL CG1 C 13 21.184 . . . . . . . . 42 VAL CG1 . 27476 1 417 . 1 1 42 42 VAL CG2 C 13 20.651 . . . . . . . . 42 VAL CG2 . 27476 1 418 . 1 1 42 42 VAL N N 15 121.889 . . . . . . . . 42 VAL N . 27476 1 419 . 1 1 43 43 LYS H H 1 8.398 . . . . . . . . 43 LYS HN . 27476 1 420 . 1 1 43 43 LYS HA H 1 4.356 . . . . . . . . 43 LYS HA . 27476 1 421 . 1 1 43 43 LYS HB2 H 1 1.843 . . . . . . . . 43 LYS HB1 . 27476 1 422 . 1 1 43 43 LYS HB3 H 1 1.765 . . . . . . . . 43 LYS HB2 . 27476 1 423 . 1 1 43 43 LYS HG2 H 1 1.422 . . . . . . . . 43 LYS HG1 . 27476 1 424 . 1 1 43 43 LYS HD2 H 1 1.692 . . . . . . . . 43 LYS HD1 . 27476 1 425 . 1 1 43 43 LYS HE2 H 1 2.998 . . . . . . . . 43 LYS HE1 . 27476 1 426 . 1 1 43 43 LYS C C 13 176.380 . . . . . . . . 43 LYS C . 27476 1 427 . 1 1 43 43 LYS CA C 13 56.150 . . . . . . . . 43 LYS CA . 27476 1 428 . 1 1 43 43 LYS CB C 13 33.118 . . . . . . . . 43 LYS CB . 27476 1 429 . 1 1 43 43 LYS CG C 13 24.646 . . . . . . . . 43 LYS CG . 27476 1 430 . 1 1 43 43 LYS CD C 13 29.103 . . . . . . . . 43 LYS CD . 27476 1 431 . 1 1 43 43 LYS CE C 13 42.335 . . . . . . . . 43 LYS CE . 27476 1 432 . 1 1 43 43 LYS N N 15 125.490 . . . . . . . . 43 LYS N . 27476 1 433 . 1 1 44 44 LYS H H 1 8.446 . . . . . . . . 44 LYS HN . 27476 1 434 . 1 1 44 44 LYS HA H 1 4.276 . . . . . . . . 44 LYS HA . 27476 1 435 . 1 1 44 44 LYS HB2 H 1 1.803 . . . . . . . . 44 LYS HB2 . 27476 1 436 . 1 1 44 44 LYS HG2 H 1 1.437 . . . . . . . . 44 LYS HG2 . 27476 1 437 . 1 1 44 44 LYS HD2 H 1 1.692 . . . . . . . . 44 LYS HD2 . 27476 1 438 . 1 1 44 44 LYS HE2 H 1 3.007 . . . . . . . . 44 LYS HE2 . 27476 1 439 . 1 1 44 44 LYS C C 13 176.722 . . . . . . . . 44 LYS C . 27476 1 440 . 1 1 44 44 LYS CA C 13 56.854 . . . . . . . . 44 LYS CA . 27476 1 441 . 1 1 44 44 LYS CB C 13 33.067 . . . . . . . . 44 LYS CB . 27476 1 442 . 1 1 44 44 LYS CG C 13 24.578 . . . . . . . . 44 LYS CG . 27476 1 443 . 1 1 44 44 LYS CD C 13 29.100 . . . . . . . . 44 LYS CD . 27476 1 444 . 1 1 44 44 LYS CE C 13 42.349 . . . . . . . . 44 LYS CE . 27476 1 445 . 1 1 44 44 LYS N N 15 124.253 . . . . . . . . 44 LYS N . 27476 1 446 . 1 1 45 45 GLU H H 1 8.665 . . . . . . . . 45 GLU HN . 27476 1 447 . 1 1 45 45 GLU HA H 1 4.303 . . . . . . . . 45 GLU HA . 27476 1 448 . 1 1 45 45 GLU HB2 H 1 2.077 . . . . . . . . 45 GLU HB2 . 27476 1 449 . 1 1 45 45 GLU HG2 H 1 2.282 . . . . . . . . 45 GLU HG2 . 27476 1 450 . 1 1 45 45 GLU C C 13 176.373 . . . . . . . . 45 GLU C . 27476 1 451 . 1 1 45 45 GLU CA C 13 56.668 . . . . . . . . 45 GLU CA . 27476 1 452 . 1 1 45 45 GLU CB C 13 30.696 . . . . . . . . 45 GLU CB . 27476 1 453 . 1 1 45 45 GLU CG C 13 36.235 . . . . . . . . 45 GLU CG . 27476 1 454 . 1 1 45 45 GLU N N 15 121.904 . . . . . . . . 45 GLU N . 27476 1 455 . 1 1 46 46 ASP H H 1 8.382 . . . . . . . . 46 ASP HN . 27476 1 456 . 1 1 46 46 ASP HA H 1 4.674 . . . . . . . . 46 ASP HA . 27476 1 457 . 1 1 46 46 ASP HB2 H 1 2.765 . . . . . . . . 46 ASP HB1 . 27476 1 458 . 1 1 46 46 ASP HB3 H 1 2.674 . . . . . . . . 46 ASP HB2 . 27476 1 459 . 1 1 46 46 ASP C C 13 176.748 . . . . . . . . 46 ASP C . 27476 1 460 . 1 1 46 46 ASP CA C 13 54.735 . . . . . . . . 46 ASP CA . 27476 1 461 . 1 1 46 46 ASP CB C 13 41.108 . . . . . . . . 46 ASP CB . 27476 1 462 . 1 1 46 46 ASP N N 15 121.414 . . . . . . . . 46 ASP N . 27476 1 463 . 1 1 47 47 THR H H 1 8.035 . . . . . . . . 47 THR HN . 27476 1 464 . 1 1 47 47 THR HA H 1 4.284 . . . . . . . . 47 THR HA . 27476 1 465 . 1 1 47 47 THR HG21 H 1 1.224 . . . . . . . . 47 THR HG21 . 27476 1 466 . 1 1 47 47 THR HG22 H 1 1.224 . . . . . . . . 47 THR HG22 . 27476 1 467 . 1 1 47 47 THR HG23 H 1 1.224 . . . . . . . . 47 THR HG23 . 27476 1 468 . 1 1 47 47 THR C C 13 175.083 . . . . . . . . 47 THR C . 27476 1 469 . 1 1 47 47 THR CA C 13 62.523 . . . . . . . . 47 THR CA . 27476 1 470 . 1 1 47 47 THR CB C 13 69.676 . . . . . . . . 47 THR CB . 27476 1 471 . 1 1 47 47 THR N N 15 113.723 . . . . . . . . 47 THR N . 27476 1 472 . 1 1 48 48 GLU H H 1 8.337 . . . . . . . . 48 GLU HN . 27476 1 473 . 1 1 48 48 GLU HA H 1 4.283 . . . . . . . . 48 GLU HA . 27476 1 474 . 1 1 48 48 GLU HB2 H 1 2.093 . . . . . . . . 48 GLU HB1 . 27476 1 475 . 1 1 48 48 GLU HG2 H 1 2.297 . . . . . . . . 48 GLU HG1 . 27476 1 476 . 1 1 48 48 GLU C C 13 176.805 . . . . . . . . 48 GLU C . 27476 1 477 . 1 1 48 48 GLU CA C 13 57.107 . . . . . . . . 48 GLU CA . 27476 1 478 . 1 1 48 48 GLU CB C 13 29.988 . . . . . . . . 48 GLU CB . 27476 1 479 . 1 1 48 48 GLU CG C 13 36.272 . . . . . . . . 48 GLU CG . 27476 1 480 . 1 1 48 48 GLU N N 15 122.580 . . . . . . . . 48 GLU N . 27476 1 481 . 1 1 49 49 LYS H H 1 8.128 . . . . . . . . 49 LYS HN . 27476 1 482 . 1 1 49 49 LYS HA H 1 4.209 . . . . . . . . 49 LYS HA . 27476 1 483 . 1 1 49 49 LYS HB2 H 1 1.668 . . . . . . . . 49 LYS HB1 . 27476 1 484 . 1 1 49 49 LYS HG2 H 1 1.250 . . . . . . . . 49 LYS HG1 . 27476 1 485 . 1 1 49 49 LYS HD2 H 1 1.668 . . . . . . . . 49 LYS HD1 . 27476 1 486 . 1 1 49 49 LYS HE2 H 1 2.959 . . . . . . . . 49 LYS HE1 . 27476 1 487 . 1 1 49 49 LYS C C 13 176.770 . . . . . . . . 49 LYS C . 27476 1 488 . 1 1 49 49 LYS CA C 13 57.015 . . . . . . . . 49 LYS CA . 27476 1 489 . 1 1 49 49 LYS CB C 13 32.947 . . . . . . . . 49 LYS CB . 27476 1 490 . 1 1 49 49 LYS CD C 13 30.210 . . . . . . . . 49 LYS CD . 27476 1 491 . 1 1 49 49 LYS CE C 13 42.379 . . . . . . . . 49 LYS CE . 27476 1 492 . 1 1 49 49 LYS N N 15 121.325 . . . . . . . . 49 LYS N . 27476 1 493 . 1 1 50 50 GLU H H 1 8.298 . . . . . . . . 50 GLU HN . 27476 1 494 . 1 1 50 50 GLU HA H 1 4.233 . . . . . . . . 50 GLU HA . 27476 1 495 . 1 1 50 50 GLU HB2 H 1 1.965 . . . . . . . . 50 GLU HB1 . 27476 1 496 . 1 1 50 50 GLU HB3 H 1 2.028 . . . . . . . . 50 GLU HB2 . 27476 1 497 . 1 1 50 50 GLU HG2 H 1 2.259 . . . . . . . . 50 GLU HG1 . 27476 1 498 . 1 1 50 50 GLU C C 13 176.314 . . . . . . . . 50 GLU C . 27476 1 499 . 1 1 50 50 GLU CA C 13 56.914 . . . . . . . . 50 GLU CA . 27476 1 500 . 1 1 50 50 GLU CB C 13 30.219 . . . . . . . . 50 GLU CB . 27476 1 501 . 1 1 50 50 GLU CG C 13 36.218 . . . . . . . . 50 GLU CG . 27476 1 502 . 1 1 50 50 GLU N N 15 120.813 . . . . . . . . 50 GLU N . 27476 1 503 . 1 1 51 51 ASN H H 1 8.399 . . . . . . . . 51 ASN HN . 27476 1 504 . 1 1 51 51 ASN HA H 1 4.700 . . . . . . . . 51 ASN HA . 27476 1 505 . 1 1 51 51 ASN HB2 H 1 2.845 . . . . . . . . 51 ASN HB1 . 27476 1 506 . 1 1 51 51 ASN HB3 H 1 2.766 . . . . . . . . 51 ASN HB2 . 27476 1 507 . 1 1 51 51 ASN HD21 H 1 7.574 . . . . . . . . 51 ASN HD21 . 27476 1 508 . 1 1 51 51 ASN HD22 H 1 6.919 . . . . . . . . 51 ASN HD22 . 27476 1 509 . 1 1 51 51 ASN C C 13 175.298 . . . . . . . . 51 ASN C . 27476 1 510 . 1 1 51 51 ASN CA C 13 53.423 . . . . . . . . 51 ASN CA . 27476 1 511 . 1 1 51 51 ASN CB C 13 38.791 . . . . . . . . 51 ASN CB . 27476 1 512 . 1 1 51 51 ASN N N 15 119.777 . . . . . . . . 51 ASN N . 27476 1 513 . 1 1 52 52 ARG H H 1 8.264 . . . . . . . . 52 ARG HN . 27476 1 514 . 1 1 52 52 ARG HA H 1 4.303 . . . . . . . . 52 ARG HA . 27476 1 515 . 1 1 52 52 ARG HB2 H 1 1.760 . . . . . . . . 52 ARG HB1 . 27476 1 516 . 1 1 52 52 ARG HG2 H 1 1.598 . . . . . . . . 52 ARG HG1 . 27476 1 517 . 1 1 52 52 ARG HD2 H 1 3.154 . . . . . . . . 52 ARG HD1 . 27476 1 518 . 1 1 52 52 ARG C C 13 176.367 . . . . . . . . 52 ARG C . 27476 1 519 . 1 1 52 52 ARG CA C 13 56.214 . . . . . . . . 52 ARG CA . 27476 1 520 . 1 1 52 52 ARG CB C 13 30.892 . . . . . . . . 52 ARG CB . 27476 1 521 . 1 1 52 52 ARG CG C 13 27.161 . . . . . . . . 52 ARG CG . 27476 1 522 . 1 1 52 52 ARG CD C 13 43.221 . . . . . . . . 52 ARG CD . 27476 1 523 . 1 1 52 52 ARG N N 15 121.437 . . . . . . . . 52 ARG N . 27476 1 524 . 1 1 53 53 GLU H H 1 8.382 . . . . . . . . 53 GLU HN . 27476 1 525 . 1 1 53 53 GLU HA H 1 4.298 . . . . . . . . 53 GLU HA . 27476 1 526 . 1 1 53 53 GLU HB2 H 1 2.055 . . . . . . . . 53 GLU HB1 . 27476 1 527 . 1 1 53 53 GLU HB3 H 1 1.955 . . . . . . . . 53 GLU HB2 . 27476 1 528 . 1 1 53 53 GLU HG2 H 1 2.255 . . . . . . . . 53 GLU HG1 . 27476 1 529 . 1 1 53 53 GLU C C 13 176.626 . . . . . . . . 53 GLU C . 27476 1 530 . 1 1 53 53 GLU CA C 13 56.726 . . . . . . . . 53 GLU CA . 27476 1 531 . 1 1 53 53 GLU CB C 13 30.018 . . . . . . . . 53 GLU CB . 27476 1 532 . 1 1 53 53 GLU CG C 13 36.232 . . . . . . . . 53 GLU CG . 27476 1 533 . 1 1 53 53 GLU N N 15 121.414 . . . . . . . . 53 GLU N . 27476 1 534 . 1 1 54 54 VAL H H 1 8.075 . . . . . . . . 54 VAL HN . 27476 1 535 . 1 1 54 54 VAL HA H 1 4.129 . . . . . . . . 54 VAL HA . 27476 1 536 . 1 1 54 54 VAL HB H 1 2.116 . . . . . . . . 54 VAL HB . 27476 1 537 . 1 1 54 54 VAL HG11 H 1 0.950 . . . . . . . . 54 VAL HG11 . 27476 1 538 . 1 1 54 54 VAL HG12 H 1 0.950 . . . . . . . . 54 VAL HG12 . 27476 1 539 . 1 1 54 54 VAL HG13 H 1 0.950 . . . . . . . . 54 VAL HG13 . 27476 1 540 . 1 1 54 54 VAL C C 13 176.651 . . . . . . . . 54 VAL C . 27476 1 541 . 1 1 54 54 VAL CA C 13 62.563 . . . . . . . . 54 VAL CA . 27476 1 542 . 1 1 54 54 VAL CB C 13 32.846 . . . . . . . . 54 VAL CB . 27476 1 543 . 1 1 54 54 VAL CG1 C 13 21.189 . . . . . . . . 54 VAL CG1 . 27476 1 544 . 1 1 54 54 VAL CG2 C 13 21.189 . . . . . . . . 54 VAL CG2 . 27476 1 545 . 1 1 54 54 VAL N N 15 120.123 . . . . . . . . 54 VAL N . 27476 1 546 . 1 1 55 55 GLY H H 1 8.313 . . . . . . . . 55 GLY HN . 27476 1 547 . 1 1 55 55 GLY HA2 H 1 3.893 . . . . . . . . 55 GLY HA1 . 27476 1 548 . 1 1 55 55 GLY C C 13 173.990 . . . . . . . . 55 GLY C . 27476 1 549 . 1 1 55 55 GLY CA C 13 45.403 . . . . . . . . 55 GLY CA . 27476 1 550 . 1 1 55 55 GLY N N 15 111.338 . . . . . . . . 55 GLY N . 27476 1 551 . 1 1 56 56 ASP H H 1 8.202 . . . . . . . . 56 ASP HN . 27476 1 552 . 1 1 56 56 ASP HA H 1 4.587 . . . . . . . . 56 ASP HA . 27476 1 553 . 1 1 56 56 ASP HB2 H 1 2.686 . . . . . . . . 56 ASP HB1 . 27476 1 554 . 1 1 56 56 ASP HB3 H 1 2.603 . . . . . . . . 56 ASP HB2 . 27476 1 555 . 1 1 56 56 ASP C C 13 176.621 . . . . . . . . 56 ASP C . 27476 1 556 . 1 1 56 56 ASP CA C 13 54.360 . . . . . . . . 56 ASP CA . 27476 1 557 . 1 1 56 56 ASP CB C 13 41.090 . . . . . . . . 56 ASP CB . 27476 1 558 . 1 1 56 56 ASP N N 15 121.059 . . . . . . . . 56 ASP N . 27476 1 559 . 1 1 57 57 TRP H H 1 7.941 . . . . . . . . 57 TRP HN . 27476 1 560 . 1 1 57 57 TRP HA H 1 4.534 . . . . . . . . 57 TRP HA . 27476 1 561 . 1 1 57 57 TRP HB2 H 1 3.394 . . . . . . . . 57 TRP HB1 . 27476 1 562 . 1 1 57 57 TRP HB3 H 1 3.302 . . . . . . . . 57 TRP HB2 . 27476 1 563 . 1 1 57 57 TRP C C 13 176.855 . . . . . . . . 57 TRP C . 27476 1 564 . 1 1 57 57 TRP CA C 13 58.014 . . . . . . . . 57 TRP CA . 27476 1 565 . 1 1 57 57 TRP CB C 13 28.813 . . . . . . . . 57 TRP CB . 27476 1 566 . 1 1 57 57 TRP N N 15 122.208 . . . . . . . . 57 TRP N . 27476 1 567 . 1 1 58 58 ARG H H 1 7.741 . . . . . . . . 58 ARG HN . 27476 1 568 . 1 1 58 58 ARG HA H 1 3.918 . . . . . . . . 58 ARG HA . 27476 1 569 . 1 1 58 58 ARG HB2 H 1 1.613 . . . . . . . . 58 ARG HB1 . 27476 1 570 . 1 1 58 58 ARG HB3 H 1 1.460 . . . . . . . . 58 ARG HB2 . 27476 1 571 . 1 1 58 58 ARG HG2 H 1 1.049 . . . . . . . . 58 ARG HG1 . 27476 1 572 . 1 1 58 58 ARG HG3 H 1 0.942 . . . . . . . . 58 ARG HG2 . 27476 1 573 . 1 1 58 58 ARG HD2 H 1 2.980 . . . . . . . . 58 ARG HD1 . 27476 1 574 . 1 1 58 58 ARG C C 13 176.646 . . . . . . . . 58 ARG C . 27476 1 575 . 1 1 58 58 ARG CA C 13 56.859 . . . . . . . . 58 ARG CA . 27476 1 576 . 1 1 58 58 ARG CB C 13 30.045 . . . . . . . . 58 ARG CB . 27476 1 577 . 1 1 58 58 ARG CG C 13 26.644 . . . . . . . . 58 ARG CG . 27476 1 578 . 1 1 58 58 ARG CD C 13 43.029 . . . . . . . . 58 ARG CD . 27476 1 579 . 1 1 58 58 ARG N N 15 121.130 . . . . . . . . 58 ARG N . 27476 1 580 . 1 1 59 59 LYS H H 1 7.824 . . . . . . . . 59 LYS HN . 27476 1 581 . 1 1 59 59 LYS HA H 1 4.170 . . . . . . . . 59 LYS HA . 27476 1 582 . 1 1 59 59 LYS HB2 H 1 1.808 . . . . . . . . 59 LYS HB1 . 27476 1 583 . 1 1 59 59 LYS HG2 H 1 1.396 . . . . . . . . 59 LYS HG1 . 27476 1 584 . 1 1 59 59 LYS HD2 H 1 1.666 . . . . . . . . 59 LYS HD1 . 27476 1 585 . 1 1 59 59 LYS HE2 H 1 2.977 . . . . . . . . 59 LYS HE1 . 27476 1 586 . 1 1 59 59 LYS C C 13 176.557 . . . . . . . . 59 LYS C . 27476 1 587 . 1 1 59 59 LYS CA C 13 56.865 . . . . . . . . 59 LYS CA . 27476 1 588 . 1 1 59 59 LYS CB C 13 32.879 . . . . . . . . 59 LYS CB . 27476 1 589 . 1 1 59 59 LYS CG C 13 24.696 . . . . . . . . 59 LYS CG . 27476 1 590 . 1 1 59 59 LYS CD C 13 29.089 . . . . . . . . 59 LYS CD . 27476 1 591 . 1 1 59 59 LYS CE C 13 42.327 . . . . . . . . 59 LYS CE . 27476 1 592 . 1 1 59 59 LYS N N 15 119.850 . . . . . . . . 59 LYS N . 27476 1 593 . 1 1 60 60 ASN H H 1 8.159 . . . . . . . . 60 ASN HN . 27476 1 594 . 1 1 60 60 ASN HA H 1 4.706 . . . . . . . . 60 ASN HA . 27476 1 595 . 1 1 60 60 ASN HB2 H 1 2.868 . . . . . . . . 60 ASN HB1 . 27476 1 596 . 1 1 60 60 ASN HB3 H 1 2.764 . . . . . . . . 60 ASN HB2 . 27476 1 597 . 1 1 60 60 ASN HD21 H 1 7.574 . . . . . . . . 60 ASN HD21 . 27476 1 598 . 1 1 60 60 ASN HD22 H 1 6.919 . . . . . . . . 60 ASN HD22 . 27476 1 599 . 1 1 60 60 ASN C C 13 175.476 . . . . . . . . 60 ASN C . 27476 1 600 . 1 1 60 60 ASN CA C 13 53.482 . . . . . . . . 60 ASN CA . 27476 1 601 . 1 1 60 60 ASN CB C 13 38.823 . . . . . . . . 60 ASN CB . 27476 1 602 . 1 1 60 60 ASN N N 15 118.709 . . . . . . . . 60 ASN N . 27476 1 603 . 1 1 61 61 ILE H H 1 7.944 . . . . . . . . 61 ILE HN . 27476 1 604 . 1 1 61 61 ILE HA H 1 4.117 . . . . . . . . 61 ILE HA . 27476 1 605 . 1 1 61 61 ILE HB H 1 1.900 . . . . . . . . 61 ILE HB . 27476 1 606 . 1 1 61 61 ILE HG12 H 1 1.450 . . . . . . . . 61 ILE HG11 . 27476 1 607 . 1 1 61 61 ILE HD11 H 1 0.899 . . . . . . . . 61 ILE HD11 . 27476 1 608 . 1 1 61 61 ILE HD12 H 1 0.899 . . . . . . . . 61 ILE HD12 . 27476 1 609 . 1 1 61 61 ILE HD13 H 1 0.899 . . . . . . . . 61 ILE HD13 . 27476 1 610 . 1 1 61 61 ILE C C 13 176.355 . . . . . . . . 61 ILE C . 27476 1 611 . 1 1 61 61 ILE CA C 13 61.861 . . . . . . . . 61 ILE CA . 27476 1 612 . 1 1 61 61 ILE CB C 13 38.675 . . . . . . . . 61 ILE CB . 27476 1 613 . 1 1 61 61 ILE CG1 C 13 27.398 . . . . . . . . 61 ILE CG1 . 27476 1 614 . 1 1 61 61 ILE CG2 C 13 17.635 . . . . . . . . 61 ILE CG2 . 27476 1 615 . 1 1 61 61 ILE CD1 C 13 13.153 . . . . . . . . 61 ILE CD1 . 27476 1 616 . 1 1 61 61 ILE N N 15 120.383 . . . . . . . . 61 ILE N . 27476 1 617 . 1 1 62 62 ASP H H 1 8.294 . . . . . . . . 62 ASP HN . 27476 1 618 . 1 1 62 62 ASP HA H 1 4.506 . . . . . . . . 62 ASP HA . 27476 1 619 . 1 1 62 62 ASP HB2 H 1 2.677 . . . . . . . . 62 ASP HB2 . 27476 1 620 . 1 1 62 62 ASP C C 13 176.638 . . . . . . . . 62 ASP C . 27476 1 621 . 1 1 62 62 ASP CA C 13 54.945 . . . . . . . . 62 ASP CA . 27476 1 622 . 1 1 62 62 ASP CB C 13 41.062 . . . . . . . . 62 ASP CB . 27476 1 623 . 1 1 62 62 ASP N N 15 123.334 . . . . . . . . 62 ASP N . 27476 1 624 . 1 1 63 63 ALA H H 1 8.116 . . . . . . . . 63 ALA HN . 27476 1 625 . 1 1 63 63 ALA HA H 1 4.268 . . . . . . . . 63 ALA HA . 27476 1 626 . 1 1 63 63 ALA HB1 H 1 1.430 . . . . . . . . 63 ALA HB1 . 27476 1 627 . 1 1 63 63 ALA HB2 H 1 1.430 . . . . . . . . 63 ALA HB2 . 27476 1 628 . 1 1 63 63 ALA HB3 H 1 1.430 . . . . . . . . 63 ALA HB3 . 27476 1 629 . 1 1 63 63 ALA C C 13 178.317 . . . . . . . . 63 ALA C . 27476 1 630 . 1 1 63 63 ALA CA C 13 53.286 . . . . . . . . 63 ALA CA . 27476 1 631 . 1 1 63 63 ALA CB C 13 19.084 . . . . . . . . 63 ALA CB . 27476 1 632 . 1 1 63 63 ALA N N 15 123.861 . . . . . . . . 63 ALA N . 27476 1 633 . 1 1 64 64 LEU H H 1 8.080 . . . . . . . . 64 LEU HN . 27476 1 634 . 1 1 64 64 LEU HA H 1 4.360 . . . . . . . . 64 LEU HA . 27476 1 635 . 1 1 64 64 LEU HB2 H 1 1.740 . . . . . . . . 64 LEU HB1 . 27476 1 636 . 1 1 64 64 LEU HG H 1 1.648 . . . . . . . . 64 LEU HG . 27476 1 637 . 1 1 64 64 LEU HD11 H 1 0.929 . . . . . . . . 64 LEU HD11 . 27476 1 638 . 1 1 64 64 LEU HD12 H 1 0.929 . . . . . . . . 64 LEU HD12 . 27476 1 639 . 1 1 64 64 LEU HD13 H 1 0.929 . . . . . . . . 64 LEU HD13 . 27476 1 640 . 1 1 64 64 LEU C C 13 177.995 . . . . . . . . 64 LEU C . 27476 1 641 . 1 1 64 64 LEU CA C 13 55.616 . . . . . . . . 64 LEU CA . 27476 1 642 . 1 1 64 64 LEU CB C 13 42.084 . . . . . . . . 64 LEU CB . 27476 1 643 . 1 1 64 64 LEU CG C 13 27.079 . . . . . . . . 64 LEU CG . 27476 1 644 . 1 1 64 64 LEU CD1 C 13 25.082 . . . . . . . . 64 LEU CD1 . 27476 1 645 . 1 1 64 64 LEU CD2 C 13 23.278 . . . . . . . . 64 LEU CD2 . 27476 1 646 . 1 1 64 64 LEU N N 15 119.493 . . . . . . . . 64 LEU N . 27476 1 647 . 1 1 65 65 SER H H 1 8.129 . . . . . . . . 65 SER HN . 27476 1 648 . 1 1 65 65 SER HA H 1 4.407 . . . . . . . . 65 SER HA . 27476 1 649 . 1 1 65 65 SER HB2 H 1 3.925 . . . . . . . . 65 SER HB1 . 27476 1 650 . 1 1 65 65 SER C C 13 175.464 . . . . . . . . 65 SER C . 27476 1 651 . 1 1 65 65 SER CA C 13 59.146 . . . . . . . . 65 SER CA . 27476 1 652 . 1 1 65 65 SER CB C 13 63.845 . . . . . . . . 65 SER CB . 27476 1 653 . 1 1 65 65 SER N N 15 115.472 . . . . . . . . 65 SER N . 27476 1 654 . 1 1 66 66 GLY H H 1 8.387 . . . . . . . . 66 GLY HN . 27476 1 655 . 1 1 66 66 GLY HA2 H 1 4.014 . . . . . . . . 66 GLY HA1 . 27476 1 656 . 1 1 66 66 GLY C C 13 174.721 . . . . . . . . 66 GLY C . 27476 1 657 . 1 1 66 66 GLY CA C 13 45.702 . . . . . . . . 66 GLY CA . 27476 1 658 . 1 1 66 66 GLY N N 15 110.482 . . . . . . . . 66 GLY N . 27476 1 659 . 1 1 67 67 MET H H 1 8.156 . . . . . . . . 67 MET HN . 27476 1 660 . 1 1 67 67 MET HA H 1 4.014 . . . . . . . . 67 MET HA . 27476 1 661 . 1 1 67 67 MET HB2 H 1 2.123 . . . . . . . . 67 MET HB1 . 27476 1 662 . 1 1 67 67 MET HB3 H 1 2.024 . . . . . . . . 67 MET HB2 . 27476 1 663 . 1 1 67 67 MET HG2 H 1 2.628 . . . . . . . . 67 MET HG1 . 27476 1 664 . 1 1 67 67 MET HG3 H 1 2.529 . . . . . . . . 67 MET HG2 . 27476 1 665 . 1 1 67 67 MET C C 13 176.820 . . . . . . . . 67 MET C . 27476 1 666 . 1 1 67 67 MET CA C 13 55.941 . . . . . . . . 67 MET CA . 27476 1 667 . 1 1 67 67 MET CB C 13 32.767 . . . . . . . . 67 MET CB . 27476 1 668 . 1 1 67 67 MET CG C 13 32.240 . . . . . . . . 67 MET CG . 27476 1 669 . 1 1 67 67 MET N N 15 119.521 . . . . . . . . 67 MET N . 27476 1 670 . 1 1 68 68 GLU H H 1 8.549 . . . . . . . . 68 GLU HN . 27476 1 671 . 1 1 68 68 GLU HA H 1 4.219 . . . . . . . . 68 GLU HA . 27476 1 672 . 1 1 68 68 GLU HB2 H 1 2.073 . . . . . . . . 68 GLU HB1 . 27476 1 673 . 1 1 68 68 GLU HG2 H 1 2.306 . . . . . . . . 68 GLU HG1 . 27476 1 674 . 1 1 68 68 GLU C C 13 177.375 . . . . . . . . 68 GLU C . 27476 1 675 . 1 1 68 68 GLU CA C 13 57.569 . . . . . . . . 68 GLU CA . 27476 1 676 . 1 1 68 68 GLU CB C 13 29.921 . . . . . . . . 68 GLU CB . 27476 1 677 . 1 1 68 68 GLU CG C 13 36.285 . . . . . . . . 68 GLU CG . 27476 1 678 . 1 1 68 68 GLU N N 15 121.272 . . . . . . . . 68 GLU N . 27476 1 679 . 1 1 69 69 GLY H H 1 8.372 . . . . . . . . 69 GLY HN . 27476 1 680 . 1 1 69 69 GLY HA2 H 1 3.943 . . . . . . . . 69 GLY HA1 . 27476 1 681 . 1 1 69 69 GLY C C 13 174.434 . . . . . . . . 69 GLY C . 27476 1 682 . 1 1 69 69 GLY CA C 13 45.668 . . . . . . . . 69 GLY CA . 27476 1 683 . 1 1 69 69 GLY N N 15 109.278 . . . . . . . . 69 GLY N . 27476 1 684 . 1 1 70 70 ARG H H 1 7.990 . . . . . . . . 70 ARG HN . 27476 1 685 . 1 1 70 70 ARG HA H 1 4.345 . . . . . . . . 70 ARG HA . 27476 1 686 . 1 1 70 70 ARG HB2 H 1 1.778 . . . . . . . . 70 ARG HB1 . 27476 1 687 . 1 1 70 70 ARG HG2 H 1 1.628 . . . . . . . . 70 ARG HG1 . 27476 1 688 . 1 1 70 70 ARG HD2 H 1 3.198 . . . . . . . . 70 ARG HD1 . 27476 1 689 . 1 1 70 70 ARG C C 13 176.400 . . . . . . . . 70 ARG C . 27476 1 690 . 1 1 70 70 ARG CA C 13 56.272 . . . . . . . . 70 ARG CA . 27476 1 691 . 1 1 70 70 ARG CB C 13 30.805 . . . . . . . . 70 ARG CB . 27476 1 692 . 1 1 70 70 ARG CG C 13 27.260 . . . . . . . . 70 ARG CG . 27476 1 693 . 1 1 70 70 ARG N N 15 120.113 . . . . . . . . 70 ARG N . 27476 1 694 . 1 1 71 71 LYS H H 1 8.188 . . . . . . . . 71 LYS HN . 27476 1 695 . 1 1 71 71 LYS HA H 1 4.272 . . . . . . . . 71 LYS HA . 27476 1 696 . 1 1 71 71 LYS HE2 H 1 2.960 . . . . . . . . 71 LYS HE1 . 27476 1 697 . 1 1 71 71 LYS C C 13 176.538 . . . . . . . . 71 LYS C . 27476 1 698 . 1 1 71 71 LYS CA C 13 56.307 . . . . . . . . 71 LYS CA . 27476 1 699 . 1 1 71 71 LYS CB C 13 33.190 . . . . . . . . 71 LYS CB . 27476 1 700 . 1 1 71 71 LYS CG C 13 24.627 . . . . . . . . 71 LYS CG . 27476 1 701 . 1 1 71 71 LYS CD C 13 29.018 . . . . . . . . 71 LYS CD . 27476 1 702 . 1 1 71 71 LYS CE C 13 42.075 . . . . . . . . 71 LYS CE . 27476 1 703 . 1 1 71 71 LYS N N 15 121.893 . . . . . . . . 71 LYS N . 27476 1 704 . 1 1 72 72 LYS H H 1 8.252 . . . . . . . . 72 LYS HN . 27476 1 705 . 1 1 72 72 LYS HA H 1 4.272 . . . . . . . . 72 LYS HA . 27476 1 706 . 1 1 72 72 LYS HE2 H 1 2.960 . . . . . . . . 72 LYS HE1 . 27476 1 707 . 1 1 72 72 LYS C C 13 176.538 . . . . . . . . 72 LYS C . 27476 1 708 . 1 1 72 72 LYS CA C 13 56.307 . . . . . . . . 72 LYS CA . 27476 1 709 . 1 1 72 72 LYS CB C 13 33.190 . . . . . . . . 72 LYS CB . 27476 1 710 . 1 1 72 72 LYS CG C 13 24.627 . . . . . . . . 72 LYS CG . 27476 1 711 . 1 1 72 72 LYS CD C 13 29.091 . . . . . . . . 72 LYS CD . 27476 1 712 . 1 1 72 72 LYS CE C 13 42.075 . . . . . . . . 72 LYS CE . 27476 1 713 . 1 1 72 72 LYS N N 15 122.584 . . . . . . . . 72 LYS N . 27476 1 714 . 1 1 73 73 LYS H H 1 8.252 . . . . . . . . 73 LYS HN . 27476 1 715 . 1 1 73 73 LYS HA H 1 4.209 . . . . . . . . 73 LYS HA . 27476 1 716 . 1 1 73 73 LYS HB2 H 1 1.668 . . . . . . . . 73 LYS HB2 . 27476 1 717 . 1 1 73 73 LYS HG2 H 1 1.337 . . . . . . . . 73 LYS HG1 . 27476 1 718 . 1 1 73 73 LYS HD2 H 1 1.668 . . . . . . . . 73 LYS HD1 . 27476 1 719 . 1 1 73 73 LYS HE2 H 1 2.959 . . . . . . . . 73 LYS HE1 . 27476 1 720 . 1 1 73 73 LYS C C 13 176.034 . . . . . . . . 73 LYS C . 27476 1 721 . 1 1 73 73 LYS CA C 13 56.607 . . . . . . . . 73 LYS CA . 27476 1 722 . 1 1 73 73 LYS CB C 13 33.292 . . . . . . . . 73 LYS CB . 27476 1 723 . 1 1 73 73 LYS CG C 13 24.571 . . . . . . . . 73 LYS CG . 27476 1 724 . 1 1 73 73 LYS CD C 13 29.147 . . . . . . . . 73 LYS CD . 27476 1 725 . 1 1 73 73 LYS CE C 13 42.148 . . . . . . . . 73 LYS CE . 27476 1 726 . 1 1 73 73 LYS N N 15 122.584 . . . . . . . . 73 LYS N . 27476 1 727 . 1 1 74 74 PHE H H 1 8.223 . . . . . . . . 74 PHE HN . 27476 1 728 . 1 1 74 74 PHE HA H 1 4.381 . . . . . . . . 74 PHE HA . 27476 1 729 . 1 1 74 74 PHE HB2 H 1 2.986 . . . . . . . . 74 PHE HB1 . 27476 1 730 . 1 1 74 74 PHE C C 13 175.445 . . . . . . . . 74 PHE C . 27476 1 731 . 1 1 74 74 PHE CA C 13 57.727 . . . . . . . . 74 PHE CA . 27476 1 732 . 1 1 74 74 PHE CB C 13 39.548 . . . . . . . . 74 PHE CB . 27476 1 733 . 1 1 74 74 PHE N N 15 120.904 . . . . . . . . 74 PHE N . 27476 1 734 . 1 1 75 75 GLU H H 1 8.263 . . . . . . . . 75 GLU HN . 27476 1 735 . 1 1 75 75 GLU HA H 1 4.361 . . . . . . . . 75 GLU HA . 27476 1 736 . 1 1 75 75 GLU HB2 H 1 2.087 . . . . . . . . 75 GLU HB1 . 27476 1 737 . 1 1 75 75 GLU HB3 H 1 1.923 . . . . . . . . 75 GLU HB2 . 27476 1 738 . 1 1 75 75 GLU HG2 H 1 2.233 . . . . . . . . 75 GLU HG1 . 27476 1 739 . 1 1 75 75 GLU C C 13 175.247 . . . . . . . . 75 GLU C . 27476 1 740 . 1 1 75 75 GLU CA C 13 56.478 . . . . . . . . 75 GLU CA . 27476 1 741 . 1 1 75 75 GLU CB C 13 30.745 . . . . . . . . 75 GLU CB . 27476 1 742 . 1 1 75 75 GLU CG C 13 36.285 . . . . . . . . 75 GLU CG . 27476 1 743 . 1 1 75 75 GLU N N 15 122.657 . . . . . . . . 75 GLU N . 27476 1 744 . 1 1 76 76 SER H H 1 7.880 . . . . . . . . 76 SER HN . 27476 1 745 . 1 1 76 76 SER C C 13 178.549 . . . . . . . . 76 SER C . 27476 1 746 . 1 1 76 76 SER CA C 13 60.029 . . . . . . . . 76 SER CA . 27476 1 747 . 1 1 76 76 SER CB C 13 64.890 . . . . . . . . 76 SER CB . 27476 1 748 . 1 1 76 76 SER N N 15 122.025 . . . . . . . . 76 SER N . 27476 1 stop_ save_