data_27554 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27554 _Entry.Title ; 1H, 15N, and 13C resonance assignments of the intrinsically disordered SH4 and Unique domains of p61Hck ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-23 _Entry.Accession_date 2018-07-23 _Entry.Last_release_date 2018-07-23 _Entry.Original_release_date 2018-07-23 _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 Matthew Pond . . . . 27554 2 Benoit Roux . . . . 27554 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27554 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27554 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 225 27554 '15N chemical shifts' 77 27554 '1H chemical shifts' 280 27554 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 . . 2019-04-11 2018-07-23 update BMRB 'update entry citation' 27554 1 . . 2018-11-15 2018-07-23 original author 'original release' 27554 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27553 'intrinsically disordered SH4 and Unique domains of p59Hck' 27554 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27554 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30284668 _Citation.Full_citation . _Citation.Title ; 1H, 15N, and 13C resonance assignments of the intrinsically disordered SH4 and Unique domains of Hck ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 71 _Citation.Page_last 74 _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 Matthew Pond . P. . . 27554 1 2 Lydia Blachowicz . . . . 27554 1 3 Benoit Roux . . . . 27554 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27554 _Assembly.ID 1 _Assembly.Name Hck _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Hck 1 $Hck A . yes 'intrinsically disordered' no no . . . 27554 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hck _Entity.Sf_category entity _Entity.Sf_framecode Hck _Entity.Entry_ID 27554 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hck _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 ; GGRSSCEDPGCPRDEERAPR MGCMKSKFLQVGGNTFSKTE TSASPHCPVYVPDPTSTIKP GPNSHNSNTPGIREAGSE ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 GLY . 27554 1 2 3 GLY . 27554 1 3 4 ARG . 27554 1 4 5 SER . 27554 1 5 6 SER . 27554 1 6 7 CYS . 27554 1 7 8 GLU . 27554 1 8 9 ASP . 27554 1 9 10 PRO . 27554 1 10 11 GLY . 27554 1 11 12 CYS . 27554 1 12 13 PRO . 27554 1 13 14 ARG . 27554 1 14 15 ASP . 27554 1 15 16 GLU . 27554 1 16 17 GLU . 27554 1 17 18 ARG . 27554 1 18 19 ALA . 27554 1 19 20 PRO . 27554 1 20 21 ARG . 27554 1 21 22 MET . 27554 1 22 23 GLY . 27554 1 23 24 CYS . 27554 1 24 25 MET . 27554 1 25 26 LYS . 27554 1 26 27 SER . 27554 1 27 28 LYS . 27554 1 28 29 PHE . 27554 1 29 30 LEU . 27554 1 30 31 GLN . 27554 1 31 32 VAL . 27554 1 32 33 GLY . 27554 1 33 34 GLY . 27554 1 34 35 ASN . 27554 1 35 36 THR . 27554 1 36 37 PHE . 27554 1 37 38 SER . 27554 1 38 39 LYS . 27554 1 39 40 THR . 27554 1 40 41 GLU . 27554 1 41 42 THR . 27554 1 42 43 SER . 27554 1 43 44 ALA . 27554 1 44 45 SER . 27554 1 45 46 PRO . 27554 1 46 47 HIS . 27554 1 47 48 CYS . 27554 1 48 49 PRO . 27554 1 49 50 VAL . 27554 1 50 51 TYR . 27554 1 51 52 VAL . 27554 1 52 53 PRO . 27554 1 53 54 ASP . 27554 1 54 55 PRO . 27554 1 55 56 THR . 27554 1 56 57 SER . 27554 1 57 58 THR . 27554 1 58 59 ILE . 27554 1 59 60 LYS . 27554 1 60 61 PRO . 27554 1 61 62 GLY . 27554 1 62 63 PRO . 27554 1 63 64 ASN . 27554 1 64 65 SER . 27554 1 65 66 HIS . 27554 1 66 67 ASN . 27554 1 67 68 SER . 27554 1 68 69 ASN . 27554 1 69 70 THR . 27554 1 70 71 PRO . 27554 1 71 72 GLY . 27554 1 72 73 ILE . 27554 1 73 74 ARG . 27554 1 74 75 GLU . 27554 1 75 76 ALA . 27554 1 76 77 GLY . 27554 1 77 78 SER . 27554 1 78 79 GLU . 27554 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27554 1 . GLY 2 2 27554 1 . ARG 3 3 27554 1 . SER 4 4 27554 1 . SER 5 5 27554 1 . CYS 6 6 27554 1 . GLU 7 7 27554 1 . ASP 8 8 27554 1 . PRO 9 9 27554 1 . GLY 10 10 27554 1 . CYS 11 11 27554 1 . PRO 12 12 27554 1 . ARG 13 13 27554 1 . ASP 14 14 27554 1 . GLU 15 15 27554 1 . GLU 16 16 27554 1 . ARG 17 17 27554 1 . ALA 18 18 27554 1 . PRO 19 19 27554 1 . ARG 20 20 27554 1 . MET 21 21 27554 1 . GLY 22 22 27554 1 . CYS 23 23 27554 1 . MET 24 24 27554 1 . LYS 25 25 27554 1 . SER 26 26 27554 1 . LYS 27 27 27554 1 . PHE 28 28 27554 1 . LEU 29 29 27554 1 . GLN 30 30 27554 1 . VAL 31 31 27554 1 . GLY 32 32 27554 1 . GLY 33 33 27554 1 . ASN 34 34 27554 1 . THR 35 35 27554 1 . PHE 36 36 27554 1 . SER 37 37 27554 1 . LYS 38 38 27554 1 . THR 39 39 27554 1 . GLU 40 40 27554 1 . THR 41 41 27554 1 . SER 42 42 27554 1 . ALA 43 43 27554 1 . SER 44 44 27554 1 . PRO 45 45 27554 1 . HIS 46 46 27554 1 . CYS 47 47 27554 1 . PRO 48 48 27554 1 . VAL 49 49 27554 1 . TYR 50 50 27554 1 . VAL 51 51 27554 1 . PRO 52 52 27554 1 . ASP 53 53 27554 1 . PRO 54 54 27554 1 . THR 55 55 27554 1 . SER 56 56 27554 1 . THR 57 57 27554 1 . ILE 58 58 27554 1 . LYS 59 59 27554 1 . PRO 60 60 27554 1 . GLY 61 61 27554 1 . PRO 62 62 27554 1 . ASN 63 63 27554 1 . SER 64 64 27554 1 . HIS 65 65 27554 1 . ASN 66 66 27554 1 . SER 67 67 27554 1 . ASN 68 68 27554 1 . THR 69 69 27554 1 . PRO 70 70 27554 1 . GLY 71 71 27554 1 . ILE 72 72 27554 1 . ARG 73 73 27554 1 . GLU 74 74 27554 1 . ALA 75 75 27554 1 . GLY 76 76 27554 1 . SER 77 77 27554 1 . GLU 78 78 27554 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 27554 _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 $Hck . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27554 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 27554 _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 $Hck . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . 'plasmid modified' 27554 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27554 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Hck '[U-13C; U-15N]' . . 1 $Hck . . 4.1 . . mM . . . . 27554 1 2 D2O [U-2H] . . . . . . 5 . . % . . . . 27554 1 3 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 27554 1 4 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 27554 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 27554 _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' 55 . mM 27554 1 pH 4.5 . pH 27554 1 pressure 1 . atm 27554 1 temperature 298.15 . K 27554 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27554 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27554 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27554 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27554 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27554 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27554 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27554 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27554 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27554 3 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27554 _Software.ID 4 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27554 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27554 4 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 27554 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27554 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TXI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27554 _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 . 900 'TCI cryoprobe' . . 27554 1 2 spectrometer_2 Bruker Avance . 600 'TXI probe' . . 27554 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 27554 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27554 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27554 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27554 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27554 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27554 1 6 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27554 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27554 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27554 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27554 1 10 '2D 13C-15N CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27554 1 11 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27554 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27554 1 13 '3D CACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27554 1 14 '3D CBCACON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27554 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 27554 _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 . . . . . 27554 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) not similar to the experimental sample tube' . . . . 27554 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27554 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 27554 _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 '3D CBCA(CO)NH' . . . 27554 1 2 '3D HNCO' . . . 27554 1 3 '3D HBHA(CO)NH' . . . 27554 1 5 '3D HNCACB' . . . 27554 1 7 '2D 1H-15N HSQC' . . . 27554 1 9 '3D 1H-15N TOCSY' . . . 27554 1 10 '2D 13C-15N CON' . . . 27554 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 3 $SPARKY . . 27554 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 GLY HA2 H 1 3.81 0.01 . 2 . . . . . 2 GLY HA2 . 27554 1 2 . 1 1 1 1 GLY HA3 H 1 3.79 0.01 . 2 . . . . . 2 GLY HA3 . 27554 1 3 . 1 1 1 1 GLY C C 13 170.6 0.2 . 1 . . . . . 2 GLY C . 27554 1 4 . 1 1 1 1 GLY CA C 13 43.3 0.2 . 1 . . . . . 2 GLY CA . 27554 1 5 . 1 1 2 2 GLY H H 1 8.57 0.01 . 1 . . . . . 3 GLY H . 27554 1 6 . 1 1 2 2 GLY HA2 H 1 3.96 0.01 . 2 . . . . . 3 GLY HA2 . 27554 1 7 . 1 1 2 2 GLY HA3 H 1 3.93 0.01 . 2 . . . . . 3 GLY HA3 . 27554 1 8 . 1 1 2 2 GLY C C 13 174.0 0.2 . 1 . . . . . 3 GLY C . 27554 1 9 . 1 1 2 2 GLY CA C 13 45.0 0.2 . 1 . . . . . 3 GLY CA . 27554 1 10 . 1 1 2 2 GLY N N 15 108.5 0.1 . 1 . . . . . 3 GLY N . 27554 1 11 . 1 1 3 3 ARG H H 1 8.45 0.01 . 1 . . . . . 4 ARG H . 27554 1 12 . 1 1 3 3 ARG HA H 1 4.31 0.01 . 1 . . . . . 4 ARG HA . 27554 1 13 . 1 1 3 3 ARG HB2 H 1 1.79 0.01 . 2 . . . . . 4 ARG HB2 . 27554 1 14 . 1 1 3 3 ARG HB3 H 1 1.68 0.01 . 2 . . . . . 4 ARG HB3 . 27554 1 15 . 1 1 3 3 ARG C C 13 176.6 0.2 . 1 . . . . . 4 ARG C . 27554 1 16 . 1 1 3 3 ARG CA C 13 56.2 0.2 . 1 . . . . . 4 ARG CA . 27554 1 17 . 1 1 3 3 ARG CB C 13 30.9 0.2 . 1 . . . . . 4 ARG CB . 27554 1 18 . 1 1 3 3 ARG N N 15 121.0 0.1 . 1 . . . . . 4 ARG N . 27554 1 19 . 1 1 4 4 SER H H 1 8.51 0.01 . 1 . . . . . 5 SER H . 27554 1 20 . 1 1 4 4 SER HA H 1 4.42 0.01 . 1 . . . . . 5 SER HA . 27554 1 21 . 1 1 4 4 SER HB2 H 1 3.84 0.01 . 2 . . . . . 5 SER HB2 . 27554 1 22 . 1 1 4 4 SER HB3 H 1 3.80 0.01 . 2 . . . . . 5 SER HB3 . 27554 1 23 . 1 1 4 4 SER C C 13 174.7 0.2 . 1 . . . . . 5 SER C . 27554 1 24 . 1 1 4 4 SER CA C 13 58.4 0.2 . 1 . . . . . 5 SER CA . 27554 1 25 . 1 1 4 4 SER CB C 13 63.8 0.2 . 1 . . . . . 5 SER CB . 27554 1 26 . 1 1 4 4 SER N N 15 117.6 0.1 . 1 . . . . . 5 SER N . 27554 1 27 . 1 1 5 5 SER H H 1 8.44 0.01 . 1 . . . . . 6 SER H . 27554 1 28 . 1 1 5 5 SER HA H 1 4.41 0.01 . 1 . . . . . 6 SER HA . 27554 1 29 . 1 1 5 5 SER HB2 H 1 3.84 0.01 . 2 . . . . . 6 SER HB2 . 27554 1 30 . 1 1 5 5 SER HB3 H 1 3.79 0.01 . 2 . . . . . 6 SER HB3 . 27554 1 31 . 1 1 5 5 SER C C 13 174.5 0.2 . 1 . . . . . 6 SER C . 27554 1 32 . 1 1 5 5 SER CA C 13 58.6 0.2 . 1 . . . . . 6 SER CA . 27554 1 33 . 1 1 5 5 SER CB C 13 63.8 0.2 . 1 . . . . . 6 SER CB . 27554 1 34 . 1 1 5 5 SER N N 15 117.9 0.1 . 1 . . . . . 6 SER N . 27554 1 35 . 1 1 6 6 CYS H H 1 8.34 0.01 . 1 . . . . . 7 CYS H . 27554 1 36 . 1 1 6 6 CYS HA H 1 4.45 0.01 . 1 . . . . . 7 CYS HA . 27554 1 37 . 1 1 6 6 CYS HB2 H 1 2.86 0.01 . 2 . . . . . 7 CYS HB2 . 27554 1 38 . 1 1 6 6 CYS HB3 H 1 2.84 0.01 . 2 . . . . . 7 CYS HB3 . 27554 1 39 . 1 1 6 6 CYS C C 13 174.3 0.2 . 1 . . . . . 7 CYS C . 27554 1 40 . 1 1 6 6 CYS CA C 13 58.6 0.2 . 1 . . . . . 7 CYS CA . 27554 1 41 . 1 1 6 6 CYS CB C 13 28.0 0.2 . 1 . . . . . 7 CYS CB . 27554 1 42 . 1 1 6 6 CYS N N 15 120.3 0.1 . 1 . . . . . 7 CYS N . 27554 1 43 . 1 1 7 7 GLU H H 1 8.37 0.01 . 1 . . . . . 8 GLU H . 27554 1 44 . 1 1 7 7 GLU HA H 1 4.22 0.01 . 1 . . . . . 8 GLU HA . 27554 1 45 . 1 1 7 7 GLU HB2 H 1 1.94 0.01 . 2 . . . . . 8 GLU HB2 . 27554 1 46 . 1 1 7 7 GLU HB3 H 1 1.82 0.01 . 2 . . . . . 8 GLU HB3 . 27554 1 47 . 1 1 7 7 GLU C C 13 175.6 0.2 . 1 . . . . . 8 GLU C . 27554 1 48 . 1 1 7 7 GLU CA C 13 56.3 0.2 . 1 . . . . . 8 GLU CA . 27554 1 49 . 1 1 7 7 GLU CB C 13 29.8 0.2 . 1 . . . . . 8 GLU CB . 27554 1 50 . 1 1 7 7 GLU N N 15 122.6 0.1 . 1 . . . . . 8 GLU N . 27554 1 51 . 1 1 8 8 ASP H H 1 8.33 0.01 . 1 . . . . . 9 ASP H . 27554 1 52 . 1 1 8 8 ASP HA H 1 4.79 0.01 . 1 . . . . . 9 ASP HA . 27554 1 53 . 1 1 8 8 ASP HB2 H 1 2.71 0.01 . 2 . . . . . 9 ASP HB2 . 27554 1 54 . 1 1 8 8 ASP HB3 H 1 2.49 0.01 . 2 . . . . . 9 ASP HB3 . 27554 1 55 . 1 1 8 8 ASP C C 13 174.6 0.2 . 1 . . . . . 9 ASP C . 27554 1 56 . 1 1 8 8 ASP CA C 13 52.0 0.2 . 1 . . . . . 9 ASP CA . 27554 1 57 . 1 1 8 8 ASP CB C 13 41.0 0.2 . 1 . . . . . 9 ASP CB . 27554 1 58 . 1 1 8 8 ASP N N 15 122.7 0.1 . 1 . . . . . 9 ASP N . 27554 1 59 . 1 1 9 9 PRO HA H 1 4.33 0.01 . 1 . . . . . 10 PRO HA . 27554 1 60 . 1 1 9 9 PRO HB2 H 1 2.19 0.01 . 2 . . . . . 10 PRO HB2 . 27554 1 61 . 1 1 9 9 PRO HB3 H 1 1.90 0.01 . 2 . . . . . 10 PRO HB3 . 27554 1 62 . 1 1 9 9 PRO C C 13 177.6 0.2 . 1 . . . . . 10 PRO C . 27554 1 63 . 1 1 9 9 PRO CA C 13 63.7 0.2 . 1 . . . . . 10 PRO CA . 27554 1 64 . 1 1 9 9 PRO CB C 13 32.0 0.2 . 1 . . . . . 10 PRO CB . 27554 1 65 . 1 1 9 9 PRO N N 15 137.3 0.1 . 1 . . . . . 10 PRO N . 27554 1 66 . 1 1 10 10 GLY H H 1 8.51 0.01 . 1 . . . . . 11 GLY H . 27554 1 67 . 1 1 10 10 GLY HA2 H 1 3.86 0.01 . 2 . . . . . 11 GLY HA2 . 27554 1 68 . 1 1 10 10 GLY HA3 H 1 3.80 0.01 . 2 . . . . . 11 GLY HA3 . 27554 1 69 . 1 1 10 10 GLY C C 13 173.8 0.2 . 1 . . . . . 11 GLY C . 27554 1 70 . 1 1 10 10 GLY CA C 13 45.1 0.2 . 1 . . . . . 11 GLY CA . 27554 1 71 . 1 1 10 10 GLY N N 15 108.3 0.1 . 1 . . . . . 11 GLY N . 27554 1 72 . 1 1 11 11 CYS H H 1 8.00 0.01 . 1 . . . . . 12 CYS H . 27554 1 73 . 1 1 11 11 CYS HA H 1 4.68 0.01 . 1 . . . . . 12 CYS HA . 27554 1 74 . 1 1 11 11 CYS HB2 H 1 2.84 0.01 . 2 . . . . . 12 CYS HB2 . 27554 1 75 . 1 1 11 11 CYS HB3 H 1 2.79 0.01 . 2 . . . . . 12 CYS HB3 . 27554 1 76 . 1 1 11 11 CYS C C 13 172.6 0.2 . 1 . . . . . 12 CYS C . 27554 1 77 . 1 1 11 11 CYS CA C 13 56.4 0.2 . 1 . . . . . 12 CYS CA . 27554 1 78 . 1 1 11 11 CYS CB C 13 27.6 0.2 . 1 . . . . . 12 CYS CB . 27554 1 79 . 1 1 11 11 CYS N N 15 120.2 0.1 . 1 . . . . . 12 CYS N . 27554 1 80 . 1 1 12 12 PRO HA H 1 4.34 0.01 . 1 . . . . . 13 PRO HA . 27554 1 81 . 1 1 12 12 PRO HB2 H 1 2.21 0.01 . 2 . . . . . 13 PRO HB2 . 27554 1 82 . 1 1 12 12 PRO HB3 H 1 1.82 0.01 . 2 . . . . . 13 PRO HB3 . 27554 1 83 . 1 1 12 12 PRO C C 13 177.0 0.2 . 1 . . . . . 13 PRO C . 27554 1 84 . 1 1 12 12 PRO CA C 13 63.3 0.2 . 1 . . . . . 13 PRO CA . 27554 1 85 . 1 1 12 12 PRO CB C 13 32.1 0.2 . 1 . . . . . 13 PRO CB . 27554 1 86 . 1 1 12 12 PRO N N 15 138.8 0.1 . 1 . . . . . 13 PRO N . 27554 1 87 . 1 1 13 13 ARG H H 1 8.44 0.01 . 1 . . . . . 14 ARG H . 27554 1 88 . 1 1 13 13 ARG HA H 1 4.22 0.01 . 1 . . . . . 14 ARG HA . 27554 1 89 . 1 1 13 13 ARG HB2 H 1 1.76 0.01 . 2 . . . . . 14 ARG HB2 . 27554 1 90 . 1 1 13 13 ARG HB3 H 1 1.68 0.01 . 2 . . . . . 14 ARG HB3 . 27554 1 91 . 1 1 13 13 ARG C C 13 176.4 0.2 . 1 . . . . . 14 ARG C . 27554 1 92 . 1 1 13 13 ARG CA C 13 56.3 0.2 . 1 . . . . . 14 ARG CA . 27554 1 93 . 1 1 13 13 ARG CB C 13 30.8 0.2 . 1 . . . . . 14 ARG CB . 27554 1 94 . 1 1 13 13 ARG N N 15 121.3 0.1 . 1 . . . . . 14 ARG N . 27554 1 95 . 1 1 14 14 ASP H H 1 8.39 0.01 . 1 . . . . . 15 ASP H . 27554 1 96 . 1 1 14 14 ASP HA H 1 4.48 0.01 . 1 . . . . . 15 ASP HA . 27554 1 97 . 1 1 14 14 ASP HB2 H 1 2.65 0.01 . 2 . . . . . 15 ASP HB2 . 27554 1 98 . 1 1 14 14 ASP HB3 H 1 2.57 0.01 . 2 . . . . . 15 ASP HB3 . 27554 1 99 . 1 1 14 14 ASP C C 13 176.3 0.2 . 1 . . . . . 15 ASP C . 27554 1 100 . 1 1 14 14 ASP CA C 13 54.5 0.2 . 1 . . . . . 15 ASP CA . 27554 1 101 . 1 1 14 14 ASP CB C 13 40.5 0.2 . 1 . . . . . 15 ASP CB . 27554 1 102 . 1 1 14 14 ASP N N 15 120.9 0.1 . 1 . . . . . 15 ASP N . 27554 1 103 . 1 1 15 15 GLU H H 1 8.40 0.01 . 1 . . . . . 16 GLU H . 27554 1 104 . 1 1 15 15 GLU HA H 1 4.18 0.01 . 1 . . . . . 16 GLU HA . 27554 1 105 . 1 1 15 15 GLU HB2 H 1 2.00 0.01 . 2 . . . . . 16 GLU HB2 . 27554 1 106 . 1 1 15 15 GLU HB3 H 1 1.84 0.01 . 2 . . . . . 16 GLU HB3 . 27554 1 107 . 1 1 15 15 GLU C C 13 176.5 0.2 . 1 . . . . . 16 GLU C . 27554 1 108 . 1 1 15 15 GLU CA C 13 56.7 0.2 . 1 . . . . . 16 GLU CA . 27554 1 109 . 1 1 15 15 GLU CB C 13 29.7 0.2 . 1 . . . . . 16 GLU CB . 27554 1 110 . 1 1 15 15 GLU N N 15 120.9 0.1 . 1 . . . . . 16 GLU N . 27554 1 111 . 1 1 16 16 GLU H H 1 8.30 0.01 . 1 . . . . . 17 GLU H . 27554 1 112 . 1 1 16 16 GLU HA H 1 4.16 0.01 . 1 . . . . . 17 GLU HA . 27554 1 113 . 1 1 16 16 GLU HB2 H 1 1.98 0.01 . 2 . . . . . 17 GLU HB2 . 27554 1 114 . 1 1 16 16 GLU HB3 H 1 1.90 0.01 . 2 . . . . . 17 GLU HB3 . 27554 1 115 . 1 1 16 16 GLU C C 13 176.4 0.2 . 1 . . . . . 17 GLU C . 27554 1 116 . 1 1 16 16 GLU CA C 13 56.7 0.2 . 1 . . . . . 17 GLU CA . 27554 1 117 . 1 1 16 16 GLU CB C 13 29.5 0.2 . 1 . . . . . 17 GLU CB . 27554 1 118 . 1 1 16 16 GLU N N 15 121.0 0.1 . 1 . . . . . 17 GLU N . 27554 1 119 . 1 1 17 17 ARG H H 1 8.17 0.01 . 1 . . . . . 18 ARG H . 27554 1 120 . 1 1 17 17 ARG HA H 1 4.22 0.01 . 1 . . . . . 18 ARG HA . 27554 1 121 . 1 1 17 17 ARG HB2 H 1 1.77 0.01 . 2 . . . . . 18 ARG HB2 . 27554 1 122 . 1 1 17 17 ARG HB3 H 1 1.65 0.01 . 2 . . . . . 18 ARG HB3 . 27554 1 123 . 1 1 17 17 ARG C C 13 175.7 0.2 . 1 . . . . . 18 ARG C . 27554 1 124 . 1 1 17 17 ARG CA C 13 55.9 0.2 . 1 . . . . . 18 ARG CA . 27554 1 125 . 1 1 17 17 ARG CB C 13 30.7 0.2 . 1 . . . . . 18 ARG CB . 27554 1 126 . 1 1 17 17 ARG N N 15 121.2 0.1 . 1 . . . . . 18 ARG N . 27554 1 127 . 1 1 18 18 ALA H H 1 8.16 0.01 . 1 . . . . . 19 ALA H . 27554 1 128 . 1 1 18 18 ALA HA H 1 4.48 0.01 . 1 . . . . . 19 ALA HA . 27554 1 129 . 1 1 18 18 ALA HB1 H 1 1.26 0.01 . 1 . . . . . 19 ALA MB . 27554 1 130 . 1 1 18 18 ALA HB2 H 1 1.26 0.01 . 1 . . . . . 19 ALA MB . 27554 1 131 . 1 1 18 18 ALA HB3 H 1 1.26 0.01 . 1 . . . . . 19 ALA MB . 27554 1 132 . 1 1 18 18 ALA C C 13 175.3 0.2 . 1 . . . . . 19 ALA C . 27554 1 133 . 1 1 18 18 ALA CA C 13 50.7 0.2 . 1 . . . . . 19 ALA CA . 27554 1 134 . 1 1 18 18 ALA CB C 13 18.3 0.2 . 1 . . . . . 19 ALA CB . 27554 1 135 . 1 1 18 18 ALA N N 15 125.7 0.1 . 1 . . . . . 19 ALA N . 27554 1 136 . 1 1 19 19 PRO HA H 1 4.32 0.01 . 1 . . . . . 20 PRO HA . 27554 1 137 . 1 1 19 19 PRO HB2 H 1 2.19 0.01 . 2 . . . . . 20 PRO HB2 . 27554 1 138 . 1 1 19 19 PRO HB3 H 1 1.79 0.01 . 2 . . . . . 20 PRO HB3 . 27554 1 139 . 1 1 19 19 PRO C C 13 177.0 0.2 . 1 . . . . . 20 PRO C . 27554 1 140 . 1 1 19 19 PRO CA C 13 63.3 0.2 . 1 . . . . . 20 PRO CA . 27554 1 141 . 1 1 19 19 PRO CB C 13 31.9 0.2 . 1 . . . . . 20 PRO CB . 27554 1 142 . 1 1 19 19 PRO N N 15 135.7 0.1 . 1 . . . . . 20 PRO N . 27554 1 143 . 1 1 20 20 ARG H H 1 8.44 0.01 . 1 . . . . . 21 ARG H . 27554 1 144 . 1 1 20 20 ARG HA H 1 4.21 0.01 . 1 . . . . . 21 ARG HA . 27554 1 145 . 1 1 20 20 ARG HB2 H 1 1.76 0.01 . 2 . . . . . 21 ARG HB2 . 27554 1 146 . 1 1 20 20 ARG HB3 H 1 1.69 0.01 . 2 . . . . . 21 ARG HB3 . 27554 1 147 . 1 1 20 20 ARG C C 13 176.5 0.2 . 1 . . . . . 21 ARG C . 27554 1 148 . 1 1 20 20 ARG CA C 13 56.1 0.2 . 1 . . . . . 21 ARG CA . 27554 1 149 . 1 1 20 20 ARG CB C 13 30.6 0.2 . 1 . . . . . 21 ARG CB . 27554 1 150 . 1 1 20 20 ARG N N 15 121.1 0.1 . 1 . . . . . 21 ARG N . 27554 1 151 . 1 1 21 21 MET H H 1 8.41 0.01 . 1 . . . . . 22 MET H . 27554 1 152 . 1 1 21 21 MET HA H 1 4.39 0.01 . 1 . . . . . 22 MET HA . 27554 1 153 . 1 1 21 21 MET HB2 H 1 2.01 0.01 . 2 . . . . . 22 MET HB2 . 27554 1 154 . 1 1 21 21 MET HB3 H 1 1.94 0.01 . 2 . . . . . 22 MET HB3 . 27554 1 155 . 1 1 21 21 MET C C 13 176.8 0.2 . 1 . . . . . 22 MET C . 27554 1 156 . 1 1 21 21 MET CA C 13 55.6 0.2 . 1 . . . . . 22 MET CA . 27554 1 157 . 1 1 21 21 MET CB C 13 32.8 0.2 . 1 . . . . . 22 MET CB . 27554 1 158 . 1 1 21 21 MET N N 15 121.3 0.1 . 1 . . . . . 22 MET N . 27554 1 159 . 1 1 22 22 GLY H H 1 8.48 0.01 . 1 . . . . . 23 GLY H . 27554 1 160 . 1 1 22 22 GLY HA2 H 1 3.89 0.01 . 2 . . . . . 23 GLY HA2 . 27554 1 161 . 1 1 22 22 GLY HA3 H 1 3.87 0.01 . 2 . . . . . 23 GLY HA3 . 27554 1 162 . 1 1 22 22 GLY C C 13 174.1 0.2 . 1 . . . . . 23 GLY C . 27554 1 163 . 1 1 22 22 GLY CA C 13 45.4 0.2 . 1 . . . . . 23 GLY CA . 27554 1 164 . 1 1 22 22 GLY N N 15 110.1 0.1 . 1 . . . . . 23 GLY N . 27554 1 165 . 1 1 23 23 CYS H H 1 8.23 0.01 . 1 . . . . . 24 CYS H . 27554 1 166 . 1 1 23 23 CYS HA H 1 4.43 0.01 . 1 . . . . . 24 CYS HA . 27554 1 167 . 1 1 23 23 CYS HB2 H 1 2.86 0.01 . 2 . . . . . 24 CYS HB2 . 27554 1 168 . 1 1 23 23 CYS HB3 H 1 2.84 0.01 . 2 . . . . . 24 CYS HB3 . 27554 1 169 . 1 1 23 23 CYS C C 13 174.8 0.2 . 1 . . . . . 24 CYS C . 27554 1 170 . 1 1 23 23 CYS CA C 13 58.5 0.2 . 1 . . . . . 24 CYS CA . 27554 1 171 . 1 1 23 23 CYS CB C 13 28.2 0.2 . 1 . . . . . 24 CYS CB . 27554 1 172 . 1 1 23 23 CYS N N 15 118.6 0.1 . 1 . . . . . 24 CYS N . 27554 1 173 . 1 1 24 24 MET H H 1 8.50 0.01 . 1 . . . . . 25 MET H . 27554 1 174 . 1 1 24 24 MET HA H 1 4.39 0.01 . 1 . . . . . 25 MET HA . 27554 1 175 . 1 1 24 24 MET HB2 H 1 2.01 0.01 . 2 . . . . . 25 MET HB2 . 27554 1 176 . 1 1 24 24 MET HB3 H 1 1.94 0.01 . 2 . . . . . 25 MET HB3 . 27554 1 177 . 1 1 24 24 MET C C 13 176.2 0.2 . 1 . . . . . 25 MET C . 27554 1 178 . 1 1 24 24 MET CA C 13 55.7 0.2 . 1 . . . . . 25 MET CA . 27554 1 179 . 1 1 24 24 MET CB C 13 32.7 0.2 . 1 . . . . . 25 MET CB . 27554 1 180 . 1 1 24 24 MET N N 15 123.0 0.1 . 1 . . . . . 25 MET N . 27554 1 181 . 1 1 25 25 LYS H H 1 8.32 0.01 . 1 . . . . . 26 LYS H . 27554 1 182 . 1 1 25 25 LYS HA H 1 4.21 0.01 . 1 . . . . . 26 LYS HA . 27554 1 183 . 1 1 25 25 LYS HB2 H 1 1.74 0.01 . 2 . . . . . 26 LYS HB2 . 27554 1 184 . 1 1 25 25 LYS HB3 H 1 1.67 0.01 . 2 . . . . . 26 LYS HB3 . 27554 1 185 . 1 1 25 25 LYS C C 13 176.6 0.2 . 1 . . . . . 26 LYS C . 27554 1 186 . 1 1 25 25 LYS CA C 13 56.7 0.2 . 1 . . . . . 26 LYS CA . 27554 1 187 . 1 1 25 25 LYS CB C 13 33.0 0.2 . 1 . . . . . 26 LYS CB . 27554 1 188 . 1 1 25 25 LYS N N 15 122.6 0.1 . 1 . . . . . 26 LYS N . 27554 1 189 . 1 1 26 26 SER H H 1 8.25 0.01 . 1 . . . . . 27 SER H . 27554 1 190 . 1 1 26 26 SER HA H 1 4.29 0.01 . 1 . . . . . 27 SER HA . 27554 1 191 . 1 1 26 26 SER HB2 H 1 3.77 0.01 . 2 . . . . . 27 SER HB2 . 27554 1 192 . 1 1 26 26 SER HB3 H 1 3.70 0.01 . 2 . . . . . 27 SER HB3 . 27554 1 193 . 1 1 26 26 SER C C 13 174.7 0.2 . 1 . . . . . 27 SER C . 27554 1 194 . 1 1 26 26 SER CA C 13 58.4 0.2 . 1 . . . . . 27 SER CA . 27554 1 195 . 1 1 26 26 SER CB C 13 63.8 0.2 . 1 . . . . . 27 SER CB . 27554 1 196 . 1 1 26 26 SER N N 15 116.6 0.1 . 1 . . . . . 27 SER N . 27554 1 197 . 1 1 27 27 LYS H H 1 8.30 0.01 . 1 . . . . . 28 LYS H . 27554 1 198 . 1 1 27 27 LYS HA H 1 4.13 0.01 . 1 . . . . . 28 LYS HA . 27554 1 199 . 1 1 27 27 LYS HB2 H 1 1.59 0.01 . 2 . . . . . 28 LYS HB2 . 27554 1 200 . 1 1 27 27 LYS HB3 H 1 1.55 0.01 . 2 . . . . . 28 LYS HB3 . 27554 1 201 . 1 1 27 27 LYS C C 13 176.2 0.2 . 1 . . . . . 28 LYS C . 27554 1 202 . 1 1 27 27 LYS CA C 13 56.7 0.2 . 1 . . . . . 28 LYS CA . 27554 1 203 . 1 1 27 27 LYS CB C 13 32.8 0.2 . 1 . . . . . 28 LYS CB . 27554 1 204 . 1 1 27 27 LYS N N 15 123.1 0.1 . 1 . . . . . 28 LYS N . 27554 1 205 . 1 1 28 28 PHE H H 1 8.09 0.01 . 1 . . . . . 29 PHE H . 27554 1 206 . 1 1 28 28 PHE HA H 1 4.53 0.01 . 1 . . . . . 29 PHE HA . 27554 1 207 . 1 1 28 28 PHE HB2 H 1 3.06 0.01 . 2 . . . . . 29 PHE HB2 . 27554 1 208 . 1 1 28 28 PHE HB3 H 1 2.86 0.01 . 2 . . . . . 29 PHE HB3 . 27554 1 209 . 1 1 28 28 PHE C C 13 175.4 0.2 . 1 . . . . . 29 PHE C . 27554 1 210 . 1 1 28 28 PHE CA C 13 57.6 0.2 . 1 . . . . . 29 PHE CA . 27554 1 211 . 1 1 28 28 PHE CB C 13 39.5 0.2 . 1 . . . . . 29 PHE CB . 27554 1 212 . 1 1 28 28 PHE N N 15 120.2 0.1 . 1 . . . . . 29 PHE N . 27554 1 213 . 1 1 29 29 LEU H H 1 8.03 0.01 . 1 . . . . . 30 LEU H . 27554 1 214 . 1 1 29 29 LEU HA H 1 4.23 0.01 . 1 . . . . . 30 LEU HA . 27554 1 215 . 1 1 29 29 LEU HB2 H 1 1.49 0.01 . 2 . . . . . 30 LEU HB2 . 27554 1 216 . 1 1 29 29 LEU HB3 H 1 1.46 0.01 . 2 . . . . . 30 LEU HB3 . 27554 1 217 . 1 1 29 29 LEU C C 13 176.6 0.2 . 1 . . . . . 30 LEU C . 27554 1 218 . 1 1 29 29 LEU CA C 13 54.9 0.2 . 1 . . . . . 30 LEU CA . 27554 1 219 . 1 1 29 29 LEU CB C 13 42.5 0.2 . 1 . . . . . 30 LEU CB . 27554 1 220 . 1 1 29 29 LEU N N 15 123.6 0.1 . 1 . . . . . 30 LEU N . 27554 1 221 . 1 1 30 30 GLN H H 1 8.28 0.01 . 1 . . . . . 31 GLN H . 27554 1 222 . 1 1 30 30 GLN HA H 1 4.27 0.01 . 1 . . . . . 31 GLN HA . 27554 1 223 . 1 1 30 30 GLN HB2 H 1 1.97 0.01 . 2 . . . . . 31 GLN HB2 . 27554 1 224 . 1 1 30 30 GLN HB3 H 1 1.87 0.01 . 2 . . . . . 31 GLN HB3 . 27554 1 225 . 1 1 30 30 GLN C C 13 175.8 0.2 . 1 . . . . . 31 GLN C . 27554 1 226 . 1 1 30 30 GLN CA C 13 55.6 0.2 . 1 . . . . . 31 GLN CA . 27554 1 227 . 1 1 30 30 GLN CB C 13 29.4 0.2 . 1 . . . . . 31 GLN CB . 27554 1 228 . 1 1 30 30 GLN N N 15 122.0 0.1 . 1 . . . . . 31 GLN N . 27554 1 229 . 1 1 31 31 VAL H H 1 8.22 0.01 . 1 . . . . . 32 VAL H . 27554 1 230 . 1 1 31 31 VAL HA H 1 4.05 0.01 . 1 . . . . . 32 VAL HA . 27554 1 231 . 1 1 31 31 VAL HB H 1 2.00 0.01 . 1 . . . . . 32 VAL HB . 27554 1 232 . 1 1 31 31 VAL C C 13 176.7 0.2 . 1 . . . . . 32 VAL C . 27554 1 233 . 1 1 31 31 VAL CA C 13 62.4 0.2 . 1 . . . . . 32 VAL CA . 27554 1 234 . 1 1 31 31 VAL CB C 13 32.7 0.2 . 1 . . . . . 32 VAL CB . 27554 1 235 . 1 1 31 31 VAL N N 15 121.9 0.1 . 1 . . . . . 32 VAL N . 27554 1 236 . 1 1 32 32 GLY H H 1 8.52 0.01 . 1 . . . . . 33 GLY H . 27554 1 237 . 1 1 32 32 GLY HA2 H 1 3.91 0.01 . 2 . . . . . 33 GLY HA2 . 27554 1 238 . 1 1 32 32 GLY HA3 H 1 3.86 0.01 . 2 . . . . . 33 GLY HA3 . 27554 1 239 . 1 1 32 32 GLY C C 13 174.6 0.2 . 1 . . . . . 33 GLY C . 27554 1 240 . 1 1 32 32 GLY CA C 13 45.2 0.2 . 1 . . . . . 33 GLY CA . 27554 1 241 . 1 1 32 32 GLY N N 15 112.8 0.1 . 1 . . . . . 33 GLY N . 27554 1 242 . 1 1 33 33 GLY H H 1 8.29 0.01 . 1 . . . . . 34 GLY H . 27554 1 243 . 1 1 33 33 GLY HA2 H 1 3.87 0.01 . 2 . . . . . 34 GLY HA2 . 27554 1 244 . 1 1 33 33 GLY HA3 H 1 3.85 0.01 . 2 . . . . . 34 GLY HA3 . 27554 1 245 . 1 1 33 33 GLY C C 13 173.9 0.2 . 1 . . . . . 34 GLY C . 27554 1 246 . 1 1 33 33 GLY CA C 13 45.2 0.2 . 1 . . . . . 34 GLY CA . 27554 1 247 . 1 1 33 33 GLY N N 15 108.6 0.1 . 1 . . . . . 34 GLY N . 27554 1 248 . 1 1 34 34 ASN H H 1 8.38 0.01 . 1 . . . . . 35 ASN H . 27554 1 249 . 1 1 34 34 ASN HA H 1 4.67 0.01 . 1 . . . . . 35 ASN HA . 27554 1 250 . 1 1 34 34 ASN HB2 H 1 2.67 0.01 . 2 . . . . . 35 ASN HB2 . 27554 1 251 . 1 1 34 34 ASN HB3 H 1 2.63 0.01 . 2 . . . . . 35 ASN HB3 . 27554 1 252 . 1 1 34 34 ASN C C 13 175.5 0.2 . 1 . . . . . 35 ASN C . 27554 1 253 . 1 1 34 34 ASN CA C 13 53.2 0.2 . 1 . . . . . 35 ASN CA . 27554 1 254 . 1 1 34 34 ASN CB C 13 39.0 0.2 . 1 . . . . . 35 ASN CB . 27554 1 255 . 1 1 34 34 ASN N N 15 118.6 0.1 . 1 . . . . . 35 ASN N . 27554 1 256 . 1 1 35 35 THR H H 1 8.08 0.01 . 1 . . . . . 36 THR H . 27554 1 257 . 1 1 35 35 THR HA H 1 4.18 0.01 . 1 . . . . . 36 THR HA . 27554 1 258 . 1 1 35 35 THR HB H 1 4.05 0.01 . 1 . . . . . 36 THR HB . 27554 1 259 . 1 1 35 35 THR C C 13 174.3 0.2 . 1 . . . . . 36 THR C . 27554 1 260 . 1 1 35 35 THR CA C 13 62.1 0.2 . 1 . . . . . 36 THR CA . 27554 1 261 . 1 1 35 35 THR CB C 13 69.5 0.2 . 1 . . . . . 36 THR CB . 27554 1 262 . 1 1 35 35 THR N N 15 114.2 0.1 . 1 . . . . . 36 THR N . 27554 1 263 . 1 1 36 36 PHE H H 1 8.22 0.01 . 1 . . . . . 37 PHE H . 27554 1 264 . 1 1 36 36 PHE HA H 1 4.57 0.01 . 1 . . . . . 37 PHE HA . 27554 1 265 . 1 1 36 36 PHE HB2 H 1 3.07 0.01 . 2 . . . . . 37 PHE HB2 . 27554 1 266 . 1 1 36 36 PHE HB3 H 1 2.93 0.01 . 2 . . . . . 37 PHE HB3 . 27554 1 267 . 1 1 36 36 PHE C C 13 175.7 0.2 . 1 . . . . . 37 PHE C . 27554 1 268 . 1 1 36 36 PHE CA C 13 57.8 0.2 . 1 . . . . . 37 PHE CA . 27554 1 269 . 1 1 36 36 PHE CB C 13 39.5 0.2 . 1 . . . . . 37 PHE CB . 27554 1 270 . 1 1 36 36 PHE N N 15 122.1 0.1 . 1 . . . . . 37 PHE N . 27554 1 271 . 1 1 37 37 SER H H 1 8.19 0.01 . 1 . . . . . 38 SER H . 27554 1 272 . 1 1 37 37 SER HA H 1 4.33 0.01 . 1 . . . . . 38 SER HA . 27554 1 273 . 1 1 37 37 SER HB2 H 1 3.73 0.01 . 2 . . . . . 38 SER HB2 . 27554 1 274 . 1 1 37 37 SER HB3 H 1 3.71 0.01 . 2 . . . . . 38 SER HB3 . 27554 1 275 . 1 1 37 37 SER C C 13 174.3 0.2 . 1 . . . . . 38 SER C . 27554 1 276 . 1 1 37 37 SER CA C 13 58.1 0.2 . 1 . . . . . 38 SER CA . 27554 1 277 . 1 1 37 37 SER CB C 13 63.9 0.2 . 1 . . . . . 38 SER CB . 27554 1 278 . 1 1 37 37 SER N N 15 117.3 0.1 . 1 . . . . . 38 SER N . 27554 1 279 . 1 1 38 38 LYS H H 1 8.37 0.01 . 1 . . . . . 39 LYS H . 27554 1 280 . 1 1 38 38 LYS HA H 1 4.28 0.01 . 1 . . . . . 39 LYS HA . 27554 1 281 . 1 1 38 38 LYS HB2 H 1 1.79 0.01 . 2 . . . . . 39 LYS HB2 . 27554 1 282 . 1 1 38 38 LYS HB3 H 1 1.68 0.01 . 2 . . . . . 39 LYS HB3 . 27554 1 283 . 1 1 38 38 LYS C C 13 176.7 0.2 . 1 . . . . . 39 LYS C . 27554 1 284 . 1 1 38 38 LYS CA C 13 56.5 0.2 . 1 . . . . . 39 LYS CA . 27554 1 285 . 1 1 38 38 LYS CB C 13 33.0 0.2 . 1 . . . . . 39 LYS CB . 27554 1 286 . 1 1 38 38 LYS N N 15 123.5 0.1 . 1 . . . . . 39 LYS N . 27554 1 287 . 1 1 39 39 THR H H 1 8.17 0.01 . 1 . . . . . 40 THR H . 27554 1 288 . 1 1 39 39 THR HA H 1 4.23 0.01 . 1 . . . . . 40 THR HA . 27554 1 289 . 1 1 39 39 THR HB H 1 4.11 0.01 . 1 . . . . . 40 THR HB . 27554 1 290 . 1 1 39 39 THR C C 13 174.6 0.2 . 1 . . . . . 40 THR C . 27554 1 291 . 1 1 39 39 THR CA C 13 62.0 0.2 . 1 . . . . . 40 THR CA . 27554 1 292 . 1 1 39 39 THR CB C 13 69.7 0.2 . 1 . . . . . 40 THR CB . 27554 1 293 . 1 1 39 39 THR N N 15 115.3 0.1 . 1 . . . . . 40 THR N . 27554 1 294 . 1 1 40 40 GLU H H 1 8.43 0.01 . 1 . . . . . 41 GLU H . 27554 1 295 . 1 1 40 40 GLU HA H 1 4.33 0.01 . 1 . . . . . 41 GLU HA . 27554 1 296 . 1 1 40 40 GLU HB2 H 1 2.01 0.01 . 2 . . . . . 41 GLU HB2 . 27554 1 297 . 1 1 40 40 GLU HB3 H 1 1.88 0.01 . 2 . . . . . 41 GLU HB3 . 27554 1 298 . 1 1 40 40 GLU C C 13 176.5 0.2 . 1 . . . . . 41 GLU C . 27554 1 299 . 1 1 40 40 GLU CA C 13 56.4 0.2 . 1 . . . . . 41 GLU CA . 27554 1 300 . 1 1 40 40 GLU CB C 13 29.9 0.2 . 1 . . . . . 41 GLU CB . 27554 1 301 . 1 1 40 40 GLU N N 15 123.6 0.1 . 1 . . . . . 41 GLU N . 27554 1 302 . 1 1 41 41 THR H H 1 8.26 0.01 . 1 . . . . . 42 THR H . 27554 1 303 . 1 1 41 41 THR HA H 1 4.29 0.01 . 1 . . . . . 42 THR HA . 27554 1 304 . 1 1 41 41 THR HB H 1 4.16 0.01 . 1 . . . . . 42 THR HB . 27554 1 305 . 1 1 41 41 THR C C 13 174.6 0.2 . 1 . . . . . 42 THR C . 27554 1 306 . 1 1 41 41 THR CA C 13 61.9 0.2 . 1 . . . . . 42 THR CA . 27554 1 307 . 1 1 41 41 THR CB C 13 69.8 0.2 . 1 . . . . . 42 THR CB . 27554 1 308 . 1 1 41 41 THR N N 15 115.4 0.1 . 1 . . . . . 42 THR N . 27554 1 309 . 1 1 42 42 SER H H 1 8.32 0.01 . 1 . . . . . 43 SER H . 27554 1 310 . 1 1 42 42 SER HA H 1 4.36 0.01 . 1 . . . . . 43 SER HA . 27554 1 311 . 1 1 42 42 SER HB2 H 1 3.80 0.01 . 2 . . . . . 43 SER HB2 . 27554 1 312 . 1 1 42 42 SER HB3 H 1 3.76 0.01 . 2 . . . . . 43 SER HB3 . 27554 1 313 . 1 1 42 42 SER C C 13 174.1 0.2 . 1 . . . . . 43 SER C . 27554 1 314 . 1 1 42 42 SER CA C 13 58.4 0.2 . 1 . . . . . 43 SER CA . 27554 1 315 . 1 1 42 42 SER CB C 13 63.9 0.2 . 1 . . . . . 43 SER CB . 27554 1 316 . 1 1 42 42 SER N N 15 118.1 0.1 . 1 . . . . . 43 SER N . 27554 1 317 . 1 1 43 43 ALA H H 1 8.31 0.01 . 1 . . . . . 44 ALA H . 27554 1 318 . 1 1 43 43 ALA HA H 1 4.29 0.01 . 1 . . . . . 44 ALA HA . 27554 1 319 . 1 1 43 43 ALA HB1 H 1 1.29 0.01 . 1 . . . . . 44 ALA MB . 27554 1 320 . 1 1 43 43 ALA HB2 H 1 1.29 0.01 . 1 . . . . . 44 ALA MB . 27554 1 321 . 1 1 43 43 ALA HB3 H 1 1.29 0.01 . 1 . . . . . 44 ALA MB . 27554 1 322 . 1 1 43 43 ALA C C 13 177.4 0.2 . 1 . . . . . 44 ALA C . 27554 1 323 . 1 1 43 43 ALA CA C 13 52.3 0.2 . 1 . . . . . 44 ALA CA . 27554 1 324 . 1 1 43 43 ALA CB C 13 19.4 0.2 . 1 . . . . . 44 ALA CB . 27554 1 325 . 1 1 43 43 ALA N N 15 125.8 0.1 . 1 . . . . . 44 ALA N . 27554 1 326 . 1 1 44 44 SER H H 1 8.22 0.01 . 1 . . . . . 45 SER H . 27554 1 327 . 1 1 44 44 SER HA H 1 4.62 0.01 . 1 . . . . . 45 SER HA . 27554 1 328 . 1 1 44 44 SER HB2 H 1 3.75 0.01 . 2 . . . . . 45 SER HB2 . 27554 1 329 . 1 1 44 44 SER HB3 H 1 3.72 0.01 . 2 . . . . . 45 SER HB3 . 27554 1 330 . 1 1 44 44 SER C C 13 172.7 0.2 . 1 . . . . . 45 SER C . 27554 1 331 . 1 1 44 44 SER CA C 13 56.4 0.2 . 1 . . . . . 45 SER CA . 27554 1 332 . 1 1 44 44 SER CB C 13 63.3 0.2 . 1 . . . . . 45 SER CB . 27554 1 333 . 1 1 44 44 SER N N 15 116.6 0.1 . 1 . . . . . 45 SER N . 27554 1 334 . 1 1 45 45 PRO HA H 1 4.30 0.01 . 1 . . . . . 46 PRO HA . 27554 1 335 . 1 1 45 45 PRO HB2 H 1 2.15 0.01 . 2 . . . . . 46 PRO HB2 . 27554 1 336 . 1 1 45 45 PRO HB3 H 1 1.74 0.01 . 2 . . . . . 46 PRO HB3 . 27554 1 337 . 1 1 45 45 PRO C C 13 176.7 0.2 . 1 . . . . . 46 PRO C . 27554 1 338 . 1 1 45 45 PRO CA C 13 63.2 0.2 . 1 . . . . . 46 PRO CA . 27554 1 339 . 1 1 45 45 PRO CB C 13 32.0 0.2 . 1 . . . . . 46 PRO CB . 27554 1 340 . 1 1 45 45 PRO N N 15 137.7 0.1 . 1 . . . . . 46 PRO N . 27554 1 341 . 1 1 46 46 HIS H H 1 8.57 0.01 . 1 . . . . . 47 HIS H . 27554 1 342 . 1 1 46 46 HIS HA H 1 4.60 0.01 . 1 . . . . . 47 HIS HA . 27554 1 343 . 1 1 46 46 HIS HB2 H 1 3.15 0.01 . 2 . . . . . 47 HIS HB2 . 27554 1 344 . 1 1 46 46 HIS HB3 H 1 3.09 0.01 . 2 . . . . . 47 HIS HB3 . 27554 1 345 . 1 1 46 46 HIS C C 13 174.1 0.2 . 1 . . . . . 47 HIS C . 27554 1 346 . 1 1 46 46 HIS CA C 13 55.1 0.2 . 1 . . . . . 47 HIS CA . 27554 1 347 . 1 1 46 46 HIS CB C 13 28.9 0.2 . 1 . . . . . 47 HIS CB . 27554 1 348 . 1 1 46 46 HIS N N 15 118.5 0.1 . 1 . . . . . 47 HIS N . 27554 1 349 . 1 1 47 47 CYS H H 1 8.36 0.01 . 1 . . . . . 48 CYS H . 27554 1 350 . 1 1 47 47 CYS HA H 1 4.68 0.01 . 1 . . . . . 48 CYS HA . 27554 1 351 . 1 1 47 47 CYS HB2 H 1 2.83 0.01 . 2 . . . . . 48 CYS HB2 . 27554 1 352 . 1 1 47 47 CYS HB3 H 1 2.79 0.01 . 2 . . . . . 48 CYS HB3 . 27554 1 353 . 1 1 47 47 CYS C C 13 172.5 0.2 . 1 . . . . . 48 CYS C . 27554 1 354 . 1 1 47 47 CYS CA C 13 56.5 0.2 . 1 . . . . . 48 CYS CA . 27554 1 355 . 1 1 47 47 CYS CB C 13 27.5 0.2 . 1 . . . . . 48 CYS CB . 27554 1 356 . 1 1 47 47 CYS N N 15 122.4 0.1 . 1 . . . . . 48 CYS N . 27554 1 357 . 1 1 48 48 PRO HA H 1 4.34 0.01 . 1 . . . . . 49 PRO HA . 27554 1 358 . 1 1 48 48 PRO HB2 H 1 2.15 0.01 . 2 . . . . . 49 PRO HB2 . 27554 1 359 . 1 1 48 48 PRO HB3 H 1 1.71 0.01 . 2 . . . . . 49 PRO HB3 . 27554 1 360 . 1 1 48 48 PRO C C 13 176.2 0.2 . 1 . . . . . 49 PRO C . 27554 1 361 . 1 1 48 48 PRO CA C 13 63.2 0.2 . 1 . . . . . 49 PRO CA . 27554 1 362 . 1 1 48 48 PRO CB C 13 32.1 0.2 . 1 . . . . . 49 PRO CB . 27554 1 363 . 1 1 48 48 PRO N N 15 138.2 0.1 . 1 . . . . . 49 PRO N . 27554 1 364 . 1 1 49 49 VAL H H 1 8.11 0.01 . 1 . . . . . 50 VAL H . 27554 1 365 . 1 1 49 49 VAL HA H 1 3.97 0.01 . 1 . . . . . 50 VAL HA . 27554 1 366 . 1 1 49 49 VAL HB H 1 1.90 0.01 . 1 . . . . . 50 VAL HB . 27554 1 367 . 1 1 49 49 VAL C C 13 175.5 0.2 . 1 . . . . . 50 VAL C . 27554 1 368 . 1 1 49 49 VAL CA C 13 62.1 0.2 . 1 . . . . . 50 VAL CA . 27554 1 369 . 1 1 49 49 VAL CB C 13 33.0 0.2 . 1 . . . . . 50 VAL CB . 27554 1 370 . 1 1 49 49 VAL N N 15 120.3 0.1 . 1 . . . . . 50 VAL N . 27554 1 371 . 1 1 50 50 TYR H H 1 8.33 0.01 . 1 . . . . . 51 TYR H . 27554 1 372 . 1 1 50 50 TYR HA H 1 4.51 0.01 . 1 . . . . . 51 TYR HA . 27554 1 373 . 1 1 50 50 TYR HB2 H 1 2.88 0.01 . 2 . . . . . 51 TYR HB2 . 27554 1 374 . 1 1 50 50 TYR HB3 H 1 2.78 0.01 . 2 . . . . . 51 TYR HB3 . 27554 1 375 . 1 1 50 50 TYR C C 13 174.8 0.2 . 1 . . . . . 51 TYR C . 27554 1 376 . 1 1 50 50 TYR CA C 13 57.7 0.2 . 1 . . . . . 51 TYR CA . 27554 1 377 . 1 1 50 50 TYR CB C 13 39.0 0.2 . 1 . . . . . 51 TYR CB . 27554 1 378 . 1 1 50 50 TYR N N 15 125.4 0.1 . 1 . . . . . 51 TYR N . 27554 1 379 . 1 1 51 51 VAL H H 1 8.01 0.01 . 1 . . . . . 52 VAL H . 27554 1 380 . 1 1 51 51 VAL HA H 1 4.20 0.01 . 1 . . . . . 52 VAL HA . 27554 1 381 . 1 1 51 51 VAL HB H 1 1.84 0.01 . 1 . . . . . 52 VAL HB . 27554 1 382 . 1 1 51 51 VAL C C 13 173.4 0.2 . 1 . . . . . 52 VAL C . 27554 1 383 . 1 1 51 51 VAL CA C 13 59.1 0.2 . 1 . . . . . 52 VAL CA . 27554 1 384 . 1 1 51 51 VAL CB C 13 33.2 0.2 . 1 . . . . . 52 VAL CB . 27554 1 385 . 1 1 51 51 VAL N N 15 126.8 0.1 . 1 . . . . . 52 VAL N . 27554 1 386 . 1 1 52 52 PRO HA H 1 4.14 0.01 . 1 . . . . . 53 PRO HA . 27554 1 387 . 1 1 52 52 PRO HB2 H 1 2.18 0.01 . 2 . . . . . 53 PRO HB2 . 27554 1 388 . 1 1 52 52 PRO HB3 H 1 1.75 0.01 . 2 . . . . . 53 PRO HB3 . 27554 1 389 . 1 1 52 52 PRO C C 13 176.1 0.2 . 1 . . . . . 53 PRO C . 27554 1 390 . 1 1 52 52 PRO CA C 13 62.7 0.2 . 1 . . . . . 53 PRO CA . 27554 1 391 . 1 1 52 52 PRO CB C 13 32.0 0.2 . 1 . . . . . 53 PRO CB . 27554 1 392 . 1 1 52 52 PRO N N 15 138.2 0.1 . 1 . . . . . 53 PRO N . 27554 1 393 . 1 1 53 53 ASP H H 1 8.34 0.01 . 1 . . . . . 54 ASP H . 27554 1 394 . 1 1 53 53 ASP HA H 1 4.76 0.01 . 1 . . . . . 54 ASP HA . 27554 1 395 . 1 1 53 53 ASP HB2 H 1 2.71 0.01 . 2 . . . . . 54 ASP HB2 . 27554 1 396 . 1 1 53 53 ASP HB3 H 1 2.51 0.01 . 2 . . . . . 54 ASP HB3 . 27554 1 397 . 1 1 53 53 ASP C C 13 175.2 0.2 . 1 . . . . . 54 ASP C . 27554 1 398 . 1 1 53 53 ASP CA C 13 51.9 0.2 . 1 . . . . . 54 ASP CA . 27554 1 399 . 1 1 53 53 ASP CB C 13 40.8 0.2 . 1 . . . . . 54 ASP CB . 27554 1 400 . 1 1 53 53 ASP N N 15 121.4 0.1 . 1 . . . . . 54 ASP N . 27554 1 401 . 1 1 54 54 PRO HA H 1 4.39 0.01 . 1 . . . . . 55 PRO HA . 27554 1 402 . 1 1 54 54 PRO HB2 H 1 2.22 0.01 . 2 . . . . . 55 PRO HB2 . 27554 1 403 . 1 1 54 54 PRO HB3 H 1 1.92 0.01 . 2 . . . . . 55 PRO HB3 . 27554 1 404 . 1 1 54 54 PRO C C 13 177.5 0.2 . 1 . . . . . 55 PRO C . 27554 1 405 . 1 1 54 54 PRO CA C 13 63.8 0.2 . 1 . . . . . 55 PRO CA . 27554 1 406 . 1 1 54 54 PRO CB C 13 32.1 0.2 . 1 . . . . . 55 PRO CB . 27554 1 407 . 1 1 54 54 PRO N N 15 137.6 0.1 . 1 . . . . . 55 PRO N . 27554 1 408 . 1 1 55 55 THR H H 1 8.32 0.01 . 1 . . . . . 56 THR H . 27554 1 409 . 1 1 55 55 THR HA H 1 4.20 0.01 . 1 . . . . . 56 THR HA . 27554 1 410 . 1 1 55 55 THR HB H 1 4.20 0.01 . 1 . . . . . 56 THR HB . 27554 1 411 . 1 1 55 55 THR C C 13 175.0 0.2 . 1 . . . . . 56 THR C . 27554 1 412 . 1 1 55 55 THR CA C 13 62.6 0.2 . 1 . . . . . 56 THR CA . 27554 1 413 . 1 1 55 55 THR CB C 13 69.4 0.2 . 1 . . . . . 56 THR CB . 27554 1 414 . 1 1 55 55 THR N N 15 112.6 0.1 . 1 . . . . . 56 THR N . 27554 1 415 . 1 1 56 56 SER H H 1 8.05 0.01 . 1 . . . . . 57 SER H . 27554 1 416 . 1 1 56 56 SER HA H 1 4.41 0.01 . 1 . . . . . 57 SER HA . 27554 1 417 . 1 1 56 56 SER HB2 H 1 3.84 0.01 . 2 . . . . . 57 SER HB2 . 27554 1 418 . 1 1 56 56 SER HB3 H 1 3.79 0.01 . 2 . . . . . 57 SER HB3 . 27554 1 419 . 1 1 56 56 SER C C 13 174.8 0.2 . 1 . . . . . 57 SER C . 27554 1 420 . 1 1 56 56 SER CA C 13 58.5 0.2 . 1 . . . . . 57 SER CA . 27554 1 421 . 1 1 56 56 SER CB C 13 63.8 0.2 . 1 . . . . . 57 SER CB . 27554 1 422 . 1 1 56 56 SER N N 15 117.4 0.1 . 1 . . . . . 57 SER N . 27554 1 423 . 1 1 57 57 THR H H 1 8.10 0.01 . 1 . . . . . 58 THR H . 27554 1 424 . 1 1 57 57 THR HA H 1 4.25 0.01 . 1 . . . . . 58 THR HA . 27554 1 425 . 1 1 57 57 THR HB H 1 4.14 0.01 . 1 . . . . . 58 THR HB . 27554 1 426 . 1 1 57 57 THR C C 13 174.4 0.2 . 1 . . . . . 58 THR C . 27554 1 427 . 1 1 57 57 THR CA C 13 62.1 0.2 . 1 . . . . . 58 THR CA . 27554 1 428 . 1 1 57 57 THR CB C 13 69.6 0.2 . 1 . . . . . 58 THR CB . 27554 1 429 . 1 1 57 57 THR N N 15 116.0 0.1 . 1 . . . . . 58 THR N . 27554 1 430 . 1 1 58 58 ILE H H 1 8.06 0.01 . 1 . . . . . 59 ILE H . 27554 1 431 . 1 1 58 58 ILE HA H 1 4.05 0.01 . 1 . . . . . 59 ILE HA . 27554 1 432 . 1 1 58 58 ILE HB H 1 1.73 0.01 . 1 . . . . . 59 ILE HB . 27554 1 433 . 1 1 58 58 ILE C C 13 175.9 0.2 . 1 . . . . . 59 ILE C . 27554 1 434 . 1 1 58 58 ILE CA C 13 61.1 0.2 . 1 . . . . . 59 ILE CA . 27554 1 435 . 1 1 58 58 ILE CB C 13 38.3 0.2 . 1 . . . . . 59 ILE CB . 27554 1 436 . 1 1 58 58 ILE N N 15 123.6 0.1 . 1 . . . . . 59 ILE N . 27554 1 437 . 1 1 59 59 LYS H H 1 8.42 0.01 . 1 . . . . . 60 LYS H . 27554 1 438 . 1 1 59 59 LYS HA H 1 4.54 0.01 . 1 . . . . . 60 LYS HA . 27554 1 439 . 1 1 59 59 LYS C C 13 174.3 0.2 . 1 . . . . . 60 LYS C . 27554 1 440 . 1 1 59 59 LYS CA C 13 53.9 0.2 . 1 . . . . . 60 LYS CA . 27554 1 441 . 1 1 59 59 LYS CB C 13 32.6 0.2 . 1 . . . . . 60 LYS CB . 27554 1 442 . 1 1 59 59 LYS N N 15 127.6 0.1 . 1 . . . . . 60 LYS N . 27554 1 443 . 1 1 60 60 PRO HA H 1 4.35 0.01 . 1 . . . . . 61 PRO HA . 27554 1 444 . 1 1 60 60 PRO HB2 H 1 2.21 0.01 . 2 . . . . . 61 PRO HB2 . 27554 1 445 . 1 1 60 60 PRO HB3 H 1 1.86 0.01 . 2 . . . . . 61 PRO HB3 . 27554 1 446 . 1 1 60 60 PRO C C 13 177.1 0.2 . 1 . . . . . 61 PRO C . 27554 1 447 . 1 1 60 60 PRO CA C 13 63.1 0.2 . 1 . . . . . 61 PRO CA . 27554 1 448 . 1 1 60 60 PRO CB C 13 32.2 0.2 . 1 . . . . . 61 PRO CB . 27554 1 449 . 1 1 60 60 PRO N N 15 137.0 0.1 . 1 . . . . . 61 PRO N . 27554 1 450 . 1 1 61 61 GLY H H 1 8.34 0.01 . 1 . . . . . 62 GLY H . 27554 1 451 . 1 1 61 61 GLY HA2 H 1 4.11 0.01 . 2 . . . . . 62 GLY HA2 . 27554 1 452 . 1 1 61 61 GLY HA3 H 1 3.94 0.01 . 2 . . . . . 62 GLY HA3 . 27554 1 453 . 1 1 61 61 GLY C C 13 172.2 0.2 . 1 . . . . . 62 GLY C . 27554 1 454 . 1 1 61 61 GLY CA C 13 44.5 0.2 . 1 . . . . . 62 GLY CA . 27554 1 455 . 1 1 61 61 GLY N N 15 109.4 0.1 . 1 . . . . . 62 GLY N . 27554 1 456 . 1 1 62 62 PRO HA H 1 4.32 0.01 . 1 . . . . . 63 PRO HA . 27554 1 457 . 1 1 62 62 PRO HB2 H 1 2.18 0.01 . 2 . . . . . 63 PRO HB2 . 27554 1 458 . 1 1 62 62 PRO HB3 H 1 1.84 0.01 . 2 . . . . . 63 PRO HB3 . 27554 1 459 . 1 1 62 62 PRO C C 13 177.1 0.2 . 1 . . . . . 63 PRO C . 27554 1 460 . 1 1 62 62 PRO CA C 13 63.4 0.2 . 1 . . . . . 63 PRO CA . 27554 1 461 . 1 1 62 62 PRO CB C 13 32.0 0.2 . 1 . . . . . 63 PRO CB . 27554 1 462 . 1 1 62 62 PRO N N 15 134.2 0.1 . 1 . . . . . 63 PRO N . 27554 1 463 . 1 1 63 63 ASN H H 1 8.60 0.01 . 1 . . . . . 64 ASN H . 27554 1 464 . 1 1 63 63 ASN HA H 1 4.64 0.01 . 1 . . . . . 64 ASN HA . 27554 1 465 . 1 1 63 63 ASN HB2 H 1 2.79 0.01 . 2 . . . . . 64 ASN HB2 . 27554 1 466 . 1 1 63 63 ASN HB3 H 1 2.66 0.01 . 2 . . . . . 64 ASN HB3 . 27554 1 467 . 1 1 63 63 ASN C C 13 175.3 0.2 . 1 . . . . . 64 ASN C . 27554 1 468 . 1 1 63 63 ASN CA C 13 53.2 0.2 . 1 . . . . . 64 ASN CA . 27554 1 469 . 1 1 63 63 ASN CB C 13 38.7 0.2 . 1 . . . . . 64 ASN CB . 27554 1 470 . 1 1 63 63 ASN N N 15 118.4 0.1 . 1 . . . . . 64 ASN N . 27554 1 471 . 1 1 64 64 SER H H 1 8.14 0.01 . 1 . . . . . 65 SER H . 27554 1 472 . 1 1 64 64 SER HA H 1 4.28 0.01 . 1 . . . . . 65 SER HA . 27554 1 473 . 1 1 64 64 SER HB2 H 1 3.76 0.01 . 2 . . . . . 65 SER HB2 . 27554 1 474 . 1 1 64 64 SER HB3 H 1 3.73 0.01 . 2 . . . . . 65 SER HB3 . 27554 1 475 . 1 1 64 64 SER C C 13 174.5 0.2 . 1 . . . . . 65 SER C . 27554 1 476 . 1 1 64 64 SER CA C 13 58.7 0.2 . 1 . . . . . 65 SER CA . 27554 1 477 . 1 1 64 64 SER CB C 13 63.7 0.2 . 1 . . . . . 65 SER CB . 27554 1 478 . 1 1 64 64 SER N N 15 116.1 0.1 . 1 . . . . . 65 SER N . 27554 1 479 . 1 1 65 65 HIS H H 1 8.55 0.01 . 1 . . . . . 66 HIS H . 27554 1 480 . 1 1 65 65 HIS HA H 1 4.62 0.01 . 1 . . . . . 66 HIS HA . 27554 1 481 . 1 1 65 65 HIS HB2 H 1 3.21 0.01 . 2 . . . . . 66 HIS HB2 . 27554 1 482 . 1 1 65 65 HIS HB3 H 1 3.09 0.01 . 2 . . . . . 66 HIS HB3 . 27554 1 483 . 1 1 65 65 HIS C C 13 174.1 0.2 . 1 . . . . . 66 HIS C . 27554 1 484 . 1 1 65 65 HIS CA C 13 55.4 0.2 . 1 . . . . . 66 HIS CA . 27554 1 485 . 1 1 65 65 HIS CB C 13 28.6 0.2 . 1 . . . . . 66 HIS CB . 27554 1 486 . 1 1 65 65 HIS N N 15 120.0 0.1 . 1 . . . . . 66 HIS N . 27554 1 487 . 1 1 66 66 ASN H H 1 8.42 0.01 . 1 . . . . . 67 ASN H . 27554 1 488 . 1 1 66 66 ASN HA H 1 4.65 0.01 . 1 . . . . . 67 ASN HA . 27554 1 489 . 1 1 66 66 ASN HB2 H 1 2.77 0.01 . 2 . . . . . 67 ASN HB2 . 27554 1 490 . 1 1 66 66 ASN HB3 H 1 2.67 0.01 . 2 . . . . . 67 ASN HB3 . 27554 1 491 . 1 1 66 66 ASN C C 13 175.2 0.2 . 1 . . . . . 67 ASN C . 27554 1 492 . 1 1 66 66 ASN CA C 13 53.3 0.2 . 1 . . . . . 67 ASN CA . 27554 1 493 . 1 1 66 66 ASN CB C 13 38.9 0.2 . 1 . . . . . 67 ASN CB . 27554 1 494 . 1 1 66 66 ASN N N 15 120.0 0.1 . 1 . . . . . 67 ASN N . 27554 1 495 . 1 1 67 67 SER H H 1 8.38 0.01 . 1 . . . . . 68 SER H . 27554 1 496 . 1 1 67 67 SER HA H 1 4.35 0.01 . 1 . . . . . 68 SER HA . 27554 1 497 . 1 1 67 67 SER HB2 H 1 3.81 0.01 . 2 . . . . . 68 SER HB2 . 27554 1 498 . 1 1 67 67 SER HB3 H 1 3.76 0.01 . 2 . . . . . 68 SER HB3 . 27554 1 499 . 1 1 67 67 SER C C 13 174.2 0.2 . 1 . . . . . 68 SER C . 27554 1 500 . 1 1 67 67 SER CA C 13 58.5 0.2 . 1 . . . . . 68 SER CA . 27554 1 501 . 1 1 67 67 SER CB C 13 63.8 0.2 . 1 . . . . . 68 SER CB . 27554 1 502 . 1 1 67 67 SER N N 15 116.4 0.1 . 1 . . . . . 68 SER N . 27554 1 503 . 1 1 68 68 ASN H H 1 8.52 0.01 . 1 . . . . . 69 ASN H . 27554 1 504 . 1 1 68 68 ASN HA H 1 4.68 0.01 . 1 . . . . . 69 ASN HA . 27554 1 505 . 1 1 68 68 ASN HB2 H 1 2.75 0.01 . 2 . . . . . 69 ASN HB2 . 27554 1 506 . 1 1 68 68 ASN HB3 H 1 2.67 0.01 . 2 . . . . . 69 ASN HB3 . 27554 1 507 . 1 1 68 68 ASN C C 13 175.0 0.2 . 1 . . . . . 69 ASN C . 27554 1 508 . 1 1 68 68 ASN CA C 13 53.3 0.2 . 1 . . . . . 69 ASN CA . 27554 1 509 . 1 1 68 68 ASN CB C 13 38.8 0.2 . 1 . . . . . 69 ASN CB . 27554 1 510 . 1 1 68 68 ASN N N 15 120.6 0.1 . 1 . . . . . 69 ASN N . 27554 1 511 . 1 1 69 69 THR H H 1 8.11 0.01 . 1 . . . . . 70 THR H . 27554 1 512 . 1 1 69 69 THR HA H 1 4.49 0.01 . 1 . . . . . 70 THR HA . 27554 1 513 . 1 1 69 69 THR HB H 1 4.03 0.01 . 1 . . . . . 70 THR HB . 27554 1 514 . 1 1 69 69 THR C C 13 172.7 0.2 . 1 . . . . . 70 THR C . 27554 1 515 . 1 1 69 69 THR CA C 13 59.8 0.2 . 1 . . . . . 70 THR CA . 27554 1 516 . 1 1 69 69 THR CB C 13 69.8 0.2 . 1 . . . . . 70 THR CB . 27554 1 517 . 1 1 69 69 THR N N 15 116.8 0.1 . 1 . . . . . 70 THR N . 27554 1 518 . 1 1 70 70 PRO HA H 1 4.32 0.01 . 1 . . . . . 71 PRO HA . 27554 1 519 . 1 1 70 70 PRO HB2 H 1 2.20 0.01 . 2 . . . . . 71 PRO HB2 . 27554 1 520 . 1 1 70 70 PRO HB3 H 1 1.84 0.01 . 2 . . . . . 71 PRO HB3 . 27554 1 521 . 1 1 70 70 PRO C C 13 177.4 0.2 . 1 . . . . . 71 PRO C . 27554 1 522 . 1 1 70 70 PRO CA C 13 63.5 0.2 . 1 . . . . . 71 PRO CA . 27554 1 523 . 1 1 70 70 PRO CB C 13 32.1 0.2 . 1 . . . . . 71 PRO CB . 27554 1 524 . 1 1 70 70 PRO N N 15 139.1 0.1 . 1 . . . . . 71 PRO N . 27554 1 525 . 1 1 71 71 GLY H H 1 8.45 0.01 . 1 . . . . . 72 GLY H . 27554 1 526 . 1 1 71 71 GLY HA2 H 1 3.85 0.01 . 2 . . . . . 72 GLY HA2 . 27554 1 527 . 1 1 71 71 GLY HA3 H 1 3.83 0.01 . 2 . . . . . 72 GLY HA3 . 27554 1 528 . 1 1 71 71 GLY C C 13 174.0 0.2 . 1 . . . . . 72 GLY C . 27554 1 529 . 1 1 71 71 GLY CA C 13 45.2 0.2 . 1 . . . . . 72 GLY CA . 27554 1 530 . 1 1 71 71 GLY N N 15 109.3 0.1 . 1 . . . . . 72 GLY N . 27554 1 531 . 1 1 72 72 ILE H H 1 7.92 0.01 . 1 . . . . . 73 ILE H . 27554 1 532 . 1 1 72 72 ILE HA H 1 4.08 0.01 . 1 . . . . . 73 ILE HA . 27554 1 533 . 1 1 72 72 ILE HB H 1 1.75 0.01 . 1 . . . . . 73 ILE HB . 27554 1 534 . 1 1 72 72 ILE C C 13 176.2 0.2 . 1 . . . . . 73 ILE C . 27554 1 535 . 1 1 72 72 ILE CA C 13 61.0 0.2 . 1 . . . . . 73 ILE CA . 27554 1 536 . 1 1 72 72 ILE CB C 13 38.6 0.2 . 1 . . . . . 73 ILE CB . 27554 1 537 . 1 1 72 72 ILE N N 15 120.2 0.1 . 1 . . . . . 73 ILE N . 27554 1 538 . 1 1 73 73 ARG H H 1 8.44 0.01 . 1 . . . . . 74 ARG H . 27554 1 539 . 1 1 73 73 ARG HA H 1 4.26 0.01 . 1 . . . . . 74 ARG HA . 27554 1 540 . 1 1 73 73 ARG HB2 H 1 1.73 0.01 . 2 . . . . . 74 ARG HB2 . 27554 1 541 . 1 1 73 73 ARG HB3 H 1 1.66 0.01 . 2 . . . . . 74 ARG HB3 . 27554 1 542 . 1 1 73 73 ARG C C 13 176.1 0.2 . 1 . . . . . 74 ARG C . 27554 1 543 . 1 1 73 73 ARG CA C 13 55.9 0.2 . 1 . . . . . 74 ARG CA . 27554 1 544 . 1 1 73 73 ARG CB C 13 30.7 0.2 . 1 . . . . . 74 ARG CB . 27554 1 545 . 1 1 73 73 ARG N N 15 125.4 0.1 . 1 . . . . . 74 ARG N . 27554 1 546 . 1 1 74 74 GLU H H 1 8.49 0.01 . 1 . . . . . 75 GLU H . 27554 1 547 . 1 1 74 74 GLU HA H 1 4.20 0.01 . 1 . . . . . 75 GLU HA . 27554 1 548 . 1 1 74 74 GLU HB2 H 1 1.98 0.01 . 2 . . . . . 75 GLU HB2 . 27554 1 549 . 1 1 74 74 GLU HB3 H 1 1.85 0.01 . 2 . . . . . 75 GLU HB3 . 27554 1 550 . 1 1 74 74 GLU C C 13 176.1 0.2 . 1 . . . . . 75 GLU C . 27554 1 551 . 1 1 74 74 GLU CA C 13 56.1 0.2 . 1 . . . . . 75 GLU CA . 27554 1 552 . 1 1 74 74 GLU CB C 13 29.7 0.2 . 1 . . . . . 75 GLU CB . 27554 1 553 . 1 1 74 74 GLU N N 15 122.9 0.1 . 1 . . . . . 75 GLU N . 27554 1 554 . 1 1 75 75 ALA H H 1 8.46 0.01 . 1 . . . . . 76 ALA H . 27554 1 555 . 1 1 75 75 ALA HA H 1 4.20 0.01 . 1 . . . . . 76 ALA HA . 27554 1 556 . 1 1 75 75 ALA HB1 H 1 1.32 0.01 . 1 . . . . . 76 ALA MB . 27554 1 557 . 1 1 75 75 ALA HB2 H 1 1.32 0.01 . 1 . . . . . 76 ALA MB . 27554 1 558 . 1 1 75 75 ALA HB3 H 1 1.32 0.01 . 1 . . . . . 76 ALA MB . 27554 1 559 . 1 1 75 75 ALA C C 13 178.3 0.2 . 1 . . . . . 76 ALA C . 27554 1 560 . 1 1 75 75 ALA CA C 13 53.0 0.2 . 1 . . . . . 76 ALA CA . 27554 1 561 . 1 1 75 75 ALA CB C 13 19.1 0.2 . 1 . . . . . 76 ALA CB . 27554 1 562 . 1 1 75 75 ALA N N 15 125.7 0.1 . 1 . . . . . 76 ALA N . 27554 1 563 . 1 1 76 76 GLY H H 1 8.47 0.01 . 1 . . . . . 77 GLY H . 27554 1 564 . 1 1 76 76 GLY HA2 H 1 3.93 0.01 . 2 . . . . . 77 GLY HA2 . 27554 1 565 . 1 1 76 76 GLY HA3 H 1 3.90 0.01 . 2 . . . . . 77 GLY HA3 . 27554 1 566 . 1 1 76 76 GLY C C 13 174.1 0.2 . 1 . . . . . 77 GLY C . 27554 1 567 . 1 1 76 76 GLY CA C 13 45.3 0.2 . 1 . . . . . 77 GLY CA . 27554 1 568 . 1 1 76 76 GLY N N 15 108.7 0.1 . 1 . . . . . 77 GLY N . 27554 1 569 . 1 1 77 77 SER H H 1 8.12 0.01 . 1 . . . . . 78 SER H . 27554 1 570 . 1 1 77 77 SER HA H 1 4.41 0.01 . 1 . . . . . 78 SER HA . 27554 1 571 . 1 1 77 77 SER HB2 H 1 3.79 0.01 . 2 . . . . . 78 SER HB2 . 27554 1 572 . 1 1 77 77 SER HB3 H 1 3.79 0.01 . 2 . . . . . 78 SER HB3 . 27554 1 573 . 1 1 77 77 SER C C 13 173.7 0.2 . 1 . . . . . 78 SER C . 27554 1 574 . 1 1 77 77 SER CA C 13 58.3 0.2 . 1 . . . . . 78 SER CA . 27554 1 575 . 1 1 77 77 SER CB C 13 64.1 0.2 . 1 . . . . . 78 SER CB . 27554 1 576 . 1 1 77 77 SER N N 15 115.7 0.1 . 1 . . . . . 78 SER N . 27554 1 577 . 1 1 78 78 GLU H H 1 8.11 0.01 . 1 . . . . . 79 GLU H . 27554 1 578 . 1 1 78 78 GLU HA H 1 4.09 0.01 . 1 . . . . . 79 GLU HA . 27554 1 579 . 1 1 78 78 GLU C C 13 180.7 0.2 . 1 . . . . . 79 GLU C . 27554 1 580 . 1 1 78 78 GLU CA C 13 57.7 0.2 . 1 . . . . . 79 GLU CA . 27554 1 581 . 1 1 78 78 GLU CB C 13 30.3 0.2 . 1 . . . . . 79 GLU CB . 27554 1 582 . 1 1 78 78 GLU N N 15 126.9 0.1 . 1 . . . . . 79 GLU N . 27554 1 stop_ save_