data_30559 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30559 _Entry.Title ; Solution structure of the Tudor domain of PSHCP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-01-14 _Entry.Accession_date 2019-01-14 _Entry.Last_release_date 2019-01-23 _Entry.Original_release_date 2019-01-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.32 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30559 stop_ 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 Katherine Bauer K. M. . . 30559 2 M. Pelligrini M. . . . 30559 3 Michael Ragusa M. J. . . 30559 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NMR spectroscopy' . 30559 'RNA BINDING PROTEIN' . 30559 'Tudor domains' . 30559 cyanobacteria . 30559 tRNA . 30559 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30559 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 30559 '15N chemical shifts' 61 30559 '1H chemical shifts' 409 30559 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 . . 2019-08-16 . original BMRB . 30559 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6NNB . 30559 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30559 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The structure of a highly conserved picocyanobacterial hypothetical protein reveals a Tudor domain with a novel tRNA binding function ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _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 Katherine Bauer K. M. . . 30559 1 2 R. Dicovitsky R. . . . 30559 1 3 M. Pellegrini M. . . . 30559 1 4 O. Zhaxybayeva O. . . . 30559 1 5 Michael Ragusa M. J. . . 30559 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30559 _Assembly.ID 1 _Assembly.Name PSHCP _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 'not present' _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 entity_1 1 $entity_1 A A yes . . . . . . 30559 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30559 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PSHCP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNAMELDLQPGDVVKVLESA ALGWVRARVIRVKSGGRVVV QSDQGREFTARGNQVRLIE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6471.392 _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 1 SER . 30559 1 2 2 ASN . 30559 1 3 3 ALA . 30559 1 4 4 MET . 30559 1 5 5 GLU . 30559 1 6 6 LEU . 30559 1 7 7 ASP . 30559 1 8 8 LEU . 30559 1 9 9 GLN . 30559 1 10 10 PRO . 30559 1 11 11 GLY . 30559 1 12 12 ASP . 30559 1 13 13 VAL . 30559 1 14 14 VAL . 30559 1 15 15 LYS . 30559 1 16 16 VAL . 30559 1 17 17 LEU . 30559 1 18 18 GLU . 30559 1 19 19 SER . 30559 1 20 20 ALA . 30559 1 21 21 ALA . 30559 1 22 22 LEU . 30559 1 23 23 GLY . 30559 1 24 24 TRP . 30559 1 25 25 VAL . 30559 1 26 26 ARG . 30559 1 27 27 ALA . 30559 1 28 28 ARG . 30559 1 29 29 VAL . 30559 1 30 30 ILE . 30559 1 31 31 ARG . 30559 1 32 32 VAL . 30559 1 33 33 LYS . 30559 1 34 34 SER . 30559 1 35 35 GLY . 30559 1 36 36 GLY . 30559 1 37 37 ARG . 30559 1 38 38 VAL . 30559 1 39 39 VAL . 30559 1 40 40 VAL . 30559 1 41 41 GLN . 30559 1 42 42 SER . 30559 1 43 43 ASP . 30559 1 44 44 GLN . 30559 1 45 45 GLY . 30559 1 46 46 ARG . 30559 1 47 47 GLU . 30559 1 48 48 PHE . 30559 1 49 49 THR . 30559 1 50 50 ALA . 30559 1 51 51 ARG . 30559 1 52 52 GLY . 30559 1 53 53 ASN . 30559 1 54 54 GLN . 30559 1 55 55 VAL . 30559 1 56 56 ARG . 30559 1 57 57 LEU . 30559 1 58 58 ILE . 30559 1 59 59 GLU . 30559 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 . SER 1 1 30559 1 . ASN 2 2 30559 1 . ALA 3 3 30559 1 . MET 4 4 30559 1 . GLU 5 5 30559 1 . LEU 6 6 30559 1 . ASP 7 7 30559 1 . LEU 8 8 30559 1 . GLN 9 9 30559 1 . PRO 10 10 30559 1 . GLY 11 11 30559 1 . ASP 12 12 30559 1 . VAL 13 13 30559 1 . VAL 14 14 30559 1 . LYS 15 15 30559 1 . VAL 16 16 30559 1 . LEU 17 17 30559 1 . GLU 18 18 30559 1 . SER 19 19 30559 1 . ALA 20 20 30559 1 . ALA 21 21 30559 1 . LEU 22 22 30559 1 . GLY 23 23 30559 1 . TRP 24 24 30559 1 . VAL 25 25 30559 1 . ARG 26 26 30559 1 . ALA 27 27 30559 1 . ARG 28 28 30559 1 . VAL 29 29 30559 1 . ILE 30 30 30559 1 . ARG 31 31 30559 1 . VAL 32 32 30559 1 . LYS 33 33 30559 1 . SER 34 34 30559 1 . GLY 35 35 30559 1 . GLY 36 36 30559 1 . ARG 37 37 30559 1 . VAL 38 38 30559 1 . VAL 39 39 30559 1 . VAL 40 40 30559 1 . GLN 41 41 30559 1 . SER 42 42 30559 1 . ASP 43 43 30559 1 . GLN 44 44 30559 1 . GLY 45 45 30559 1 . ARG 46 46 30559 1 . GLU 47 47 30559 1 . PHE 48 48 30559 1 . THR 49 49 30559 1 . ALA 50 50 30559 1 . ARG 51 51 30559 1 . GLY 52 52 30559 1 . ASN 53 53 30559 1 . GLN 54 54 30559 1 . VAL 55 55 30559 1 . ARG 56 56 30559 1 . LEU 57 57 30559 1 . ILE 58 58 30559 1 . GLU 59 59 30559 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 30559 _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 $entity_1 . 59922 organism . 'Prochlorococcus marinus (strain MIT 9303)' 'Prochlorococcus marinus (strain MIT 9303)' . . Bacteria . Prochlorococcus 'Prochlorococcus marinus' 'MIT 9303' . . . . . . . . . . P9303_06811 . 30559 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 30559 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30559 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30559 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.4 mM [U-15N] PSHCP, 20 mM sodium phosphate, 200 mM sodium chloride, 0.2 mM TCEP, 99% H2O, 1% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '99% H2O, 1% 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 PSHCP [U-15N] 1 $assembly 1 $entity_1 . . 1.4 . . mM . . . . 30559 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30559 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30559 1 4 TCEP 'natural abundance' . . . . . . 0.2 . . mM . . . . 30559 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30559 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.6 mM [U-15N, -13C] PSHCP, 20 mM sodium phosphate, 200 mM sodium chloride, 0.2 mM TCEP, 99% H2O, 1% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '99% H2O, 1% 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 PSHCP '[U-15N, -13C]' 1 $assembly 1 $entity_1 . . 1.6 . . mM . . . . 30559 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30559 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30559 2 4 TCEP 'natural abundance' . . . . . . 0.2 . . mM . . . . 30559 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30559 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 30559 1 pH 6.5 . pH 30559 1 pressure 1 . atm 30559 1 temperature 298 . K 30559 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30559 _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' . . 30559 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30559 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30559 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30559 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30559 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30559 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30559 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30559 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30559 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30559 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30559 4 . 'peak picking' 30559 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30559 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30559 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 700 . . . 30559 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 30559 _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_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 11 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 12 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 14 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 15 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 16 2D_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30559 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30559 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30559 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30559 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30559 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30559 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.020 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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_15N-separated_NOESY . . . 30559 1 2 3D_13C-separated_NOESY . . . 30559 1 3 '2D 1H-15N HSQC' . . . 30559 1 4 '2D 1H-13C HSQC aliphatic' . . . 30559 1 5 '3D HNCACB' . . . 30559 1 6 '3D HNCA' . . . 30559 1 7 '3D HNCO' . . . 30559 1 8 '3D HN(CO)CA' . . . 30559 1 9 '3D CBCA(CO)NH' . . . 30559 1 10 '3D HBHA(CO)NH' . . . 30559 1 11 '3D H(CCO)NH' . . . 30559 1 12 '3D HCCH-COSY' . . . 30559 1 13 '3D HCCH-TOCSY' . . . 30559 1 14 '3D HN(CA)CO' . . . 30559 1 15 '3D H(CCO)NH' . . . 30559 1 16 2D_NOESY . . . 30559 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 ASN HA H 1 4.800 0.020 . 1 . . . . A 2 ASN HA . 30559 1 2 . 1 1 2 2 ASN HB2 H 1 2.819 0.020 . 2 . . . . A 2 ASN HB2 . 30559 1 3 . 1 1 2 2 ASN HB3 H 1 2.894 0.020 . 2 . . . . A 2 ASN HB3 . 30559 1 4 . 1 1 2 2 ASN C C 13 172.120 0.3 . 1 . . . . A 2 ASN C . 30559 1 5 . 1 1 2 2 ASN CA C 13 53.225 0.3 . 1 . . . . A 2 ASN CA . 30559 1 6 . 1 1 2 2 ASN CB C 13 39.180 0.3 . 1 . . . . A 2 ASN CB . 30559 1 7 . 1 1 3 3 ALA H H 1 8.450 0.020 . 1 . . . . A 3 ALA H . 30559 1 8 . 1 1 3 3 ALA HA H 1 4.301 0.020 . 1 . . . . A 3 ALA HA . 30559 1 9 . 1 1 3 3 ALA HB1 H 1 1.411 0.020 . 1 . . . . A 3 ALA HB1 . 30559 1 10 . 1 1 3 3 ALA HB2 H 1 1.411 0.020 . 1 . . . . A 3 ALA HB2 . 30559 1 11 . 1 1 3 3 ALA HB3 H 1 1.411 0.020 . 1 . . . . A 3 ALA HB3 . 30559 1 12 . 1 1 3 3 ALA C C 13 177.656 0.3 . 1 . . . . A 3 ALA C . 30559 1 13 . 1 1 3 3 ALA CA C 13 52.958 0.3 . 1 . . . . A 3 ALA CA . 30559 1 14 . 1 1 3 3 ALA CB C 13 19.173 0.3 . 1 . . . . A 3 ALA CB . 30559 1 15 . 1 1 3 3 ALA N N 15 124.179 0.3 . 1 . . . . A 3 ALA N . 30559 1 16 . 1 1 4 4 MET H H 1 8.329 0.020 . 1 . . . . A 4 MET H . 30559 1 17 . 1 1 4 4 MET HA H 1 4.450 0.020 . 1 . . . . A 4 MET HA . 30559 1 18 . 1 1 4 4 MET HB2 H 1 2.051 0.020 . 2 . . . . A 4 MET HB2 . 30559 1 19 . 1 1 4 4 MET HB3 H 1 2.135 0.020 . 2 . . . . A 4 MET HB3 . 30559 1 20 . 1 1 4 4 MET HG2 H 1 2.561 0.020 . 2 . . . . A 4 MET HG2 . 30559 1 21 . 1 1 4 4 MET HG3 H 1 2.636 0.020 . 2 . . . . A 4 MET HG3 . 30559 1 22 . 1 1 4 4 MET HE1 H 1 2.125 0.020 . 1 . . . . A 4 MET HE1 . 30559 1 23 . 1 1 4 4 MET HE2 H 1 2.125 0.020 . 1 . . . . A 4 MET HE2 . 30559 1 24 . 1 1 4 4 MET HE3 H 1 2.125 0.020 . 1 . . . . A 4 MET HE3 . 30559 1 25 . 1 1 4 4 MET C C 13 176.247 0.3 . 1 . . . . A 4 MET C . 30559 1 26 . 1 1 4 4 MET CA C 13 55.782 0.3 . 1 . . . . A 4 MET CA . 30559 1 27 . 1 1 4 4 MET CB C 13 32.972 0.3 . 1 . . . . A 4 MET CB . 30559 1 28 . 1 1 4 4 MET CG C 13 32.138 0.3 . 1 . . . . A 4 MET CG . 30559 1 29 . 1 1 4 4 MET CE C 13 17.170 0.3 . 1 . . . . A 4 MET CE . 30559 1 30 . 1 1 4 4 MET N N 15 118.577 0.3 . 1 . . . . A 4 MET N . 30559 1 31 . 1 1 5 5 GLU H H 1 8.352 0.020 . 1 . . . . A 5 GLU H . 30559 1 32 . 1 1 5 5 GLU HA H 1 4.323 0.020 . 1 . . . . A 5 GLU HA . 30559 1 33 . 1 1 5 5 GLU HB2 H 1 1.938 0.020 . 2 . . . . A 5 GLU HB2 . 30559 1 34 . 1 1 5 5 GLU HB3 H 1 2.068 0.020 . 2 . . . . A 5 GLU HB3 . 30559 1 35 . 1 1 5 5 GLU HG2 H 1 2.275 0.020 . 1 . . . . A 5 GLU HG2 . 30559 1 36 . 1 1 5 5 GLU HG3 H 1 2.275 0.020 . 1 . . . . A 5 GLU HG3 . 30559 1 37 . 1 1 5 5 GLU CA C 13 56.454 0.3 . 1 . . . . A 5 GLU CA . 30559 1 38 . 1 1 5 5 GLU CB C 13 30.191 0.3 . 1 . . . . A 5 GLU CB . 30559 1 39 . 1 1 5 5 GLU CG C 13 36.246 0.3 . 1 . . . . A 5 GLU CG . 30559 1 40 . 1 1 5 5 GLU N N 15 121.490 0.3 . 1 . . . . A 5 GLU N . 30559 1 41 . 1 1 6 6 LEU H H 1 8.166 0.020 . 1 . . . . A 6 LEU H . 30559 1 42 . 1 1 6 6 LEU HA H 1 4.349 0.020 . 1 . . . . A 6 LEU HA . 30559 1 43 . 1 1 6 6 LEU HB2 H 1 1.418 0.020 . 2 . . . . A 6 LEU HB2 . 30559 1 44 . 1 1 6 6 LEU HB3 H 1 1.657 0.020 . 2 . . . . A 6 LEU HB3 . 30559 1 45 . 1 1 6 6 LEU HG H 1 0.891 0.020 . 1 . . . . A 6 LEU HG . 30559 1 46 . 1 1 6 6 LEU C C 13 176.524 0.3 . 1 . . . . A 6 LEU C . 30559 1 47 . 1 1 6 6 LEU CA C 13 54.727 0.3 . 1 . . . . A 6 LEU CA . 30559 1 48 . 1 1 6 6 LEU CB C 13 43.192 0.3 . 1 . . . . A 6 LEU CB . 30559 1 49 . 1 1 6 6 LEU CG C 13 25.378 0.3 . 1 . . . . A 6 LEU CG . 30559 1 50 . 1 1 6 6 LEU CD1 C 13 23.332 0.3 . 1 . . . . A 6 LEU CD1 . 30559 1 51 . 1 1 6 6 LEU N N 15 121.800 0.3 . 1 . . . . A 6 LEU N . 30559 1 52 . 1 1 7 7 ASP H H 1 8.534 0.020 . 1 . . . . A 7 ASP H . 30559 1 53 . 1 1 7 7 ASP HA H 1 4.725 0.020 . 1 . . . . A 7 ASP HA . 30559 1 54 . 1 1 7 7 ASP HB2 H 1 2.497 0.020 . 2 . . . . A 7 ASP HB2 . 30559 1 55 . 1 1 7 7 ASP HB3 H 1 2.785 0.020 . 2 . . . . A 7 ASP HB3 . 30559 1 56 . 1 1 7 7 ASP C C 13 175.438 0.3 . 1 . . . . A 7 ASP C . 30559 1 57 . 1 1 7 7 ASP CA C 13 53.513 0.3 . 1 . . . . A 7 ASP CA . 30559 1 58 . 1 1 7 7 ASP CB C 13 40.474 0.3 . 1 . . . . A 7 ASP CB . 30559 1 59 . 1 1 7 7 ASP N N 15 123.162 0.3 . 1 . . . . A 7 ASP N . 30559 1 60 . 1 1 8 8 LEU H H 1 7.639 0.020 . 1 . . . . A 8 LEU H . 30559 1 61 . 1 1 8 8 LEU HA H 1 4.512 0.020 . 1 . . . . A 8 LEU HA . 30559 1 62 . 1 1 8 8 LEU HB2 H 1 1.218 0.020 . 2 . . . . A 8 LEU HB2 . 30559 1 63 . 1 1 8 8 LEU HB3 H 1 1.575 0.020 . 2 . . . . A 8 LEU HB3 . 30559 1 64 . 1 1 8 8 LEU HG H 1 0.818 0.020 . 1 . . . . A 8 LEU HG . 30559 1 65 . 1 1 8 8 LEU HD11 H 1 0.834 0.020 . 1 . . . . A 8 LEU HD11 . 30559 1 66 . 1 1 8 8 LEU HD12 H 1 0.834 0.020 . 1 . . . . A 8 LEU HD12 . 30559 1 67 . 1 1 8 8 LEU HD13 H 1 0.834 0.020 . 1 . . . . A 8 LEU HD13 . 30559 1 68 . 1 1 8 8 LEU HD21 H 1 0.834 0.020 . 1 . . . . A 8 LEU HD21 . 30559 1 69 . 1 1 8 8 LEU HD22 H 1 0.834 0.020 . 1 . . . . A 8 LEU HD22 . 30559 1 70 . 1 1 8 8 LEU HD23 H 1 0.834 0.020 . 1 . . . . A 8 LEU HD23 . 30559 1 71 . 1 1 8 8 LEU C C 13 175.727 0.3 . 1 . . . . A 8 LEU C . 30559 1 72 . 1 1 8 8 LEU CA C 13 54.229 0.3 . 1 . . . . A 8 LEU CA . 30559 1 73 . 1 1 8 8 LEU CB C 13 44.758 0.3 . 1 . . . . A 8 LEU CB . 30559 1 74 . 1 1 8 8 LEU CG C 13 26.787 0.3 . 1 . . . . A 8 LEU CG . 30559 1 75 . 1 1 8 8 LEU CD1 C 13 23.613 0.3 . 1 . . . . A 8 LEU CD1 . 30559 1 76 . 1 1 8 8 LEU N N 15 121.393 0.3 . 1 . . . . A 8 LEU N . 30559 1 77 . 1 1 9 9 GLN H H 1 8.931 0.020 . 1 . . . . A 9 GLN H . 30559 1 78 . 1 1 9 9 GLN HA H 1 4.742 0.020 . 1 . . . . A 9 GLN HA . 30559 1 79 . 1 1 9 9 GLN HB2 H 1 2.018 0.020 . 2 . . . . A 9 GLN HB2 . 30559 1 80 . 1 1 9 9 GLN HB3 H 1 1.795 0.020 . 2 . . . . A 9 GLN HB3 . 30559 1 81 . 1 1 9 9 GLN HG2 H 1 2.353 0.020 . 1 . . . . A 9 GLN HG2 . 30559 1 82 . 1 1 9 9 GLN HG3 H 1 2.353 0.020 . 1 . . . . A 9 GLN HG3 . 30559 1 83 . 1 1 9 9 GLN HE21 H 1 7.488 0.020 . 1 . . . . A 9 GLN HE21 . 30559 1 84 . 1 1 9 9 GLN HE22 H 1 6.707 0.020 . 1 . . . . A 9 GLN HE22 . 30559 1 85 . 1 1 9 9 GLN C C 13 173.140 0.3 . 1 . . . . A 9 GLN C . 30559 1 86 . 1 1 9 9 GLN CA C 13 52.062 0.3 . 1 . . . . A 9 GLN CA . 30559 1 87 . 1 1 9 9 GLN CB C 13 30.129 0.3 . 1 . . . . A 9 GLN CB . 30559 1 88 . 1 1 9 9 GLN CG C 13 33.053 0.3 . 1 . . . . A 9 GLN CG . 30559 1 89 . 1 1 9 9 GLN N N 15 119.819 0.3 . 1 . . . . A 9 GLN N . 30559 1 90 . 1 1 9 9 GLN NE2 N 15 113.444 0.3 . 1 . . . . A 9 GLN NE2 . 30559 1 91 . 1 1 10 10 PRO HA H 1 3.815 0.020 . 1 . . . . A 10 PRO HA . 30559 1 92 . 1 1 10 10 PRO HB2 H 1 1.879 0.020 . 2 . . . . A 10 PRO HB2 . 30559 1 93 . 1 1 10 10 PRO HB3 H 1 2.299 0.020 . 2 . . . . A 10 PRO HB3 . 30559 1 94 . 1 1 10 10 PRO HG2 H 1 1.881 0.020 . 2 . . . . A 10 PRO HG2 . 30559 1 95 . 1 1 10 10 PRO HG3 H 1 2.260 0.020 . 2 . . . . A 10 PRO HG3 . 30559 1 96 . 1 1 10 10 PRO HD2 H 1 3.638 0.020 . 2 . . . . A 10 PRO HD2 . 30559 1 97 . 1 1 10 10 PRO HD3 H 1 3.772 0.020 . 2 . . . . A 10 PRO HD3 . 30559 1 98 . 1 1 10 10 PRO C C 13 174.684 0.3 . 1 . . . . A 10 PRO C . 30559 1 99 . 1 1 10 10 PRO CA C 13 63.846 0.3 . 1 . . . . A 10 PRO CA . 30559 1 100 . 1 1 10 10 PRO CB C 13 31.452 0.3 . 1 . . . . A 10 PRO CB . 30559 1 101 . 1 1 10 10 PRO CG C 13 28.614 0.3 . 1 . . . . A 10 PRO CG . 30559 1 102 . 1 1 10 10 PRO CD C 13 50.693 0.3 . 1 . . . . A 10 PRO CD . 30559 1 103 . 1 1 11 11 GLY H H 1 9.301 0.020 . 1 . . . . A 11 GLY H . 30559 1 104 . 1 1 11 11 GLY HA2 H 1 3.524 0.020 . 2 . . . . A 11 GLY HA2 . 30559 1 105 . 1 1 11 11 GLY HA3 H 1 4.524 0.020 . 2 . . . . A 11 GLY HA3 . 30559 1 106 . 1 1 11 11 GLY C C 13 174.688 0.3 . 1 . . . . A 11 GLY C . 30559 1 107 . 1 1 11 11 GLY CA C 13 44.788 0.3 . 1 . . . . A 11 GLY CA . 30559 1 108 . 1 1 11 11 GLY N N 15 114.187 0.3 . 1 . . . . A 11 GLY N . 30559 1 109 . 1 1 12 12 ASP H H 1 8.101 0.020 . 1 . . . . A 12 ASP H . 30559 1 110 . 1 1 12 12 ASP HA H 1 4.564 0.020 . 1 . . . . A 12 ASP HA . 30559 1 111 . 1 1 12 12 ASP HB2 H 1 2.434 0.020 . 2 . . . . A 12 ASP HB2 . 30559 1 112 . 1 1 12 12 ASP HB3 H 1 2.665 0.020 . 2 . . . . A 12 ASP HB3 . 30559 1 113 . 1 1 12 12 ASP C C 13 175.242 0.3 . 1 . . . . A 12 ASP C . 30559 1 114 . 1 1 12 12 ASP CA C 13 55.961 0.3 . 1 . . . . A 12 ASP CA . 30559 1 115 . 1 1 12 12 ASP CB C 13 41.137 0.3 . 1 . . . . A 12 ASP CB . 30559 1 116 . 1 1 12 12 ASP N N 15 122.331 0.3 . 1 . . . . A 12 ASP N . 30559 1 117 . 1 1 13 13 VAL H H 1 8.476 0.020 . 1 . . . . A 13 VAL H . 30559 1 118 . 1 1 13 13 VAL HA H 1 4.698 0.020 . 1 . . . . A 13 VAL HA . 30559 1 119 . 1 1 13 13 VAL HB H 1 2.009 0.020 . 1 . . . . A 13 VAL HB . 30559 1 120 . 1 1 13 13 VAL HG11 H 1 1.024 0.020 . 1 . . . . A 13 VAL HG11 . 30559 1 121 . 1 1 13 13 VAL HG12 H 1 1.024 0.020 . 1 . . . . A 13 VAL HG12 . 30559 1 122 . 1 1 13 13 VAL HG13 H 1 1.024 0.020 . 1 . . . . A 13 VAL HG13 . 30559 1 123 . 1 1 13 13 VAL HG21 H 1 1.024 0.020 . 1 . . . . A 13 VAL HG21 . 30559 1 124 . 1 1 13 13 VAL HG22 H 1 1.024 0.020 . 1 . . . . A 13 VAL HG22 . 30559 1 125 . 1 1 13 13 VAL HG23 H 1 1.024 0.020 . 1 . . . . A 13 VAL HG23 . 30559 1 126 . 1 1 13 13 VAL C C 13 175.843 0.3 . 1 . . . . A 13 VAL C . 30559 1 127 . 1 1 13 13 VAL CA C 13 62.651 0.3 . 1 . . . . A 13 VAL CA . 30559 1 128 . 1 1 13 13 VAL CB C 13 31.909 0.3 . 1 . . . . A 13 VAL CB . 30559 1 129 . 1 1 13 13 VAL CG1 C 13 21.452 0.3 . 1 . . . . A 13 VAL CG1 . 30559 1 130 . 1 1 13 13 VAL CG2 C 13 21.452 0.3 . 1 . . . . A 13 VAL CG2 . 30559 1 131 . 1 1 13 13 VAL N N 15 122.219 0.3 . 1 . . . . A 13 VAL N . 30559 1 132 . 1 1 14 14 VAL H H 1 8.789 0.020 . 1 . . . . A 14 VAL H . 30559 1 133 . 1 1 14 14 VAL HA H 1 4.990 0.020 . 1 . . . . A 14 VAL HA . 30559 1 134 . 1 1 14 14 VAL HB H 1 2.286 0.020 . 1 . . . . A 14 VAL HB . 30559 1 135 . 1 1 14 14 VAL HG11 H 1 0.691 0.020 . 2 . . . . A 14 VAL HG11 . 30559 1 136 . 1 1 14 14 VAL HG12 H 1 0.691 0.020 . 2 . . . . A 14 VAL HG12 . 30559 1 137 . 1 1 14 14 VAL HG13 H 1 0.691 0.020 . 2 . . . . A 14 VAL HG13 . 30559 1 138 . 1 1 14 14 VAL HG21 H 1 0.458 0.020 . 2 . . . . A 14 VAL HG21 . 30559 1 139 . 1 1 14 14 VAL HG22 H 1 0.458 0.020 . 2 . . . . A 14 VAL HG22 . 30559 1 140 . 1 1 14 14 VAL HG23 H 1 0.458 0.020 . 2 . . . . A 14 VAL HG23 . 30559 1 141 . 1 1 14 14 VAL C C 13 174.503 0.3 . 1 . . . . A 14 VAL C . 30559 1 142 . 1 1 14 14 VAL CA C 13 58.709 0.3 . 1 . . . . A 14 VAL CA . 30559 1 143 . 1 1 14 14 VAL CB C 13 36.062 0.3 . 1 . . . . A 14 VAL CB . 30559 1 144 . 1 1 14 14 VAL CG1 C 13 22.728 0.3 . 1 . . . . A 14 VAL CG1 . 30559 1 145 . 1 1 14 14 VAL CG2 C 13 18.042 0.3 . 1 . . . . A 14 VAL CG2 . 30559 1 146 . 1 1 14 14 VAL N N 15 118.780 0.3 . 1 . . . . A 14 VAL N . 30559 1 147 . 1 1 15 15 LYS H H 1 8.994 0.020 . 1 . . . . A 15 LYS H . 30559 1 148 . 1 1 15 15 LYS HA H 1 5.531 0.020 . 1 . . . . A 15 LYS HA . 30559 1 149 . 1 1 15 15 LYS HB2 H 1 1.657 0.020 . 2 . . . . A 15 LYS HB2 . 30559 1 150 . 1 1 15 15 LYS HB3 H 1 1.802 0.020 . 2 . . . . A 15 LYS HB3 . 30559 1 151 . 1 1 15 15 LYS HG2 H 1 1.288 0.020 . 2 . . . . A 15 LYS HG2 . 30559 1 152 . 1 1 15 15 LYS HG3 H 1 1.433 0.020 . 2 . . . . A 15 LYS HG3 . 30559 1 153 . 1 1 15 15 LYS HD2 H 1 1.341 0.020 . 2 . . . . A 15 LYS HD2 . 30559 1 154 . 1 1 15 15 LYS HD3 H 1 1.439 0.020 . 2 . . . . A 15 LYS HD3 . 30559 1 155 . 1 1 15 15 LYS HE2 H 1 2.454 0.020 . 2 . . . . A 15 LYS HE2 . 30559 1 156 . 1 1 15 15 LYS HE3 H 1 2.651 0.020 . 2 . . . . A 15 LYS HE3 . 30559 1 157 . 1 1 15 15 LYS C C 13 175.843 0.3 . 1 . . . . A 15 LYS C . 30559 1 158 . 1 1 15 15 LYS CA C 13 54.623 0.3 . 1 . . . . A 15 LYS CA . 30559 1 159 . 1 1 15 15 LYS CB C 13 35.656 0.3 . 1 . . . . A 15 LYS CB . 30559 1 160 . 1 1 15 15 LYS CG C 13 25.301 0.3 . 1 . . . . A 15 LYS CG . 30559 1 161 . 1 1 15 15 LYS CD C 13 29.697 0.3 . 1 . . . . A 15 LYS CD . 30559 1 162 . 1 1 15 15 LYS CE C 13 41.738 0.3 . 1 . . . . A 15 LYS CE . 30559 1 163 . 1 1 15 15 LYS N N 15 116.914 0.3 . 1 . . . . A 15 LYS N . 30559 1 164 . 1 1 16 16 VAL H H 1 9.539 0.020 . 1 . . . . A 16 VAL H . 30559 1 165 . 1 1 16 16 VAL HA H 1 5.559 0.020 . 1 . . . . A 16 VAL HA . 30559 1 166 . 1 1 16 16 VAL HB H 1 1.914 0.020 . 1 . . . . A 16 VAL HB . 30559 1 167 . 1 1 16 16 VAL HG11 H 1 0.852 0.020 . 2 . . . . A 16 VAL HG11 . 30559 1 168 . 1 1 16 16 VAL HG12 H 1 0.852 0.020 . 2 . . . . A 16 VAL HG12 . 30559 1 169 . 1 1 16 16 VAL HG13 H 1 0.852 0.020 . 2 . . . . A 16 VAL HG13 . 30559 1 170 . 1 1 16 16 VAL HG21 H 1 0.888 0.020 . 2 . . . . A 16 VAL HG21 . 30559 1 171 . 1 1 16 16 VAL HG22 H 1 0.888 0.020 . 2 . . . . A 16 VAL HG22 . 30559 1 172 . 1 1 16 16 VAL HG23 H 1 0.888 0.020 . 2 . . . . A 16 VAL HG23 . 30559 1 173 . 1 1 16 16 VAL C C 13 174.075 0.3 . 1 . . . . A 16 VAL C . 30559 1 174 . 1 1 16 16 VAL CA C 13 58.859 0.3 . 1 . . . . A 16 VAL CA . 30559 1 175 . 1 1 16 16 VAL CB C 13 35.931 0.3 . 1 . . . . A 16 VAL CB . 30559 1 176 . 1 1 16 16 VAL CG1 C 13 22.307 0.3 . 1 . . . . A 16 VAL CG1 . 30559 1 177 . 1 1 16 16 VAL CG2 C 13 22.100 0.3 . 1 . . . . A 16 VAL CG2 . 30559 1 178 . 1 1 16 16 VAL N N 15 119.279 0.3 . 1 . . . . A 16 VAL N . 30559 1 179 . 1 1 17 17 LEU H H 1 8.207 0.020 . 1 . . . . A 17 LEU H . 30559 1 180 . 1 1 17 17 LEU HA H 1 3.859 0.020 . 1 . . . . A 17 LEU HA . 30559 1 181 . 1 1 17 17 LEU HB2 H 1 -1.046 0.020 . 2 . . . . A 17 LEU HB2 . 30559 1 182 . 1 1 17 17 LEU HB3 H 1 1.051 0.020 . 2 . . . . A 17 LEU HB3 . 30559 1 183 . 1 1 17 17 LEU HG H 1 0.497 0.020 . 1 . . . . A 17 LEU HG . 30559 1 184 . 1 1 17 17 LEU HD11 H 1 0.385 0.020 . 2 . . . . A 17 LEU HD11 . 30559 1 185 . 1 1 17 17 LEU HD12 H 1 0.385 0.020 . 2 . . . . A 17 LEU HD12 . 30559 1 186 . 1 1 17 17 LEU HD13 H 1 0.385 0.020 . 2 . . . . A 17 LEU HD13 . 30559 1 187 . 1 1 17 17 LEU HD21 H 1 -0.085 0.020 . 2 . . . . A 17 LEU HD21 . 30559 1 188 . 1 1 17 17 LEU HD22 H 1 -0.085 0.020 . 2 . . . . A 17 LEU HD22 . 30559 1 189 . 1 1 17 17 LEU HD23 H 1 -0.085 0.020 . 2 . . . . A 17 LEU HD23 . 30559 1 190 . 1 1 17 17 LEU C C 13 175.300 0.3 . 1 . . . . A 17 LEU C . 30559 1 191 . 1 1 17 17 LEU CA C 13 52.883 0.3 . 1 . . . . A 17 LEU CA . 30559 1 192 . 1 1 17 17 LEU CB C 13 39.732 0.3 . 1 . . . . A 17 LEU CB . 30559 1 193 . 1 1 17 17 LEU CG C 13 26.756 0.3 . 1 . . . . A 17 LEU CG . 30559 1 194 . 1 1 17 17 LEU CD1 C 13 25.036 0.3 . 1 . . . . A 17 LEU CD1 . 30559 1 195 . 1 1 17 17 LEU CD2 C 13 22.409 0.3 . 1 . . . . A 17 LEU CD2 . 30559 1 196 . 1 1 17 17 LEU N N 15 130.993 0.3 . 1 . . . . A 17 LEU N . 30559 1 197 . 1 1 18 18 GLU H H 1 8.580 0.020 . 1 . . . . A 18 GLU H . 30559 1 198 . 1 1 18 18 GLU HA H 1 3.733 0.020 . 1 . . . . A 18 GLU HA . 30559 1 199 . 1 1 18 18 GLU HB2 H 1 1.742 0.020 . 1 . . . . A 18 GLU HB2 . 30559 1 200 . 1 1 18 18 GLU HB3 H 1 1.742 0.020 . 1 . . . . A 18 GLU HB3 . 30559 1 201 . 1 1 18 18 GLU HG2 H 1 1.585 0.020 . 2 . . . . A 18 GLU HG2 . 30559 1 202 . 1 1 18 18 GLU HG3 H 1 1.722 0.020 . 2 . . . . A 18 GLU HG3 . 30559 1 203 . 1 1 18 18 GLU C C 13 176.628 0.3 . 1 . . . . A 18 GLU C . 30559 1 204 . 1 1 18 18 GLU CA C 13 59.143 0.3 . 1 . . . . A 18 GLU CA . 30559 1 205 . 1 1 18 18 GLU CB C 13 30.623 0.3 . 1 . . . . A 18 GLU CB . 30559 1 206 . 1 1 18 18 GLU CG C 13 35.827 0.3 . 1 . . . . A 18 GLU CG . 30559 1 207 . 1 1 18 18 GLU N N 15 129.572 0.3 . 1 . . . . A 18 GLU N . 30559 1 208 . 1 1 19 19 SER H H 1 7.420 0.020 . 1 . . . . A 19 SER H . 30559 1 209 . 1 1 19 19 SER HA H 1 4.379 0.020 . 1 . . . . A 19 SER HA . 30559 1 210 . 1 1 19 19 SER HB2 H 1 3.904 0.020 . 2 . . . . A 19 SER HB2 . 30559 1 211 . 1 1 19 19 SER HB3 H 1 4.011 0.020 . 2 . . . . A 19 SER HB3 . 30559 1 212 . 1 1 19 19 SER C C 13 173.948 0.3 . 1 . . . . A 19 SER C . 30559 1 213 . 1 1 19 19 SER CA C 13 56.562 0.3 . 1 . . . . A 19 SER CA . 30559 1 214 . 1 1 19 19 SER CB C 13 65.073 0.3 . 1 . . . . A 19 SER CB . 30559 1 215 . 1 1 19 19 SER N N 15 108.386 0.3 . 1 . . . . A 19 SER N . 30559 1 216 . 1 1 20 20 ALA HA H 1 3.990 0.020 . 1 . . . . A 20 ALA HA . 30559 1 217 . 1 1 20 20 ALA HB1 H 1 1.409 0.020 . 1 . . . . A 20 ALA HB1 . 30559 1 218 . 1 1 20 20 ALA HB2 H 1 1.409 0.020 . 1 . . . . A 20 ALA HB2 . 30559 1 219 . 1 1 20 20 ALA HB3 H 1 1.409 0.020 . 1 . . . . A 20 ALA HB3 . 30559 1 220 . 1 1 20 20 ALA C C 13 176.405 0.3 . 1 . . . . A 20 ALA C . 30559 1 221 . 1 1 20 20 ALA CA C 13 54.850 0.3 . 1 . . . . A 20 ALA CA . 30559 1 222 . 1 1 20 20 ALA CB C 13 17.895 0.3 . 1 . . . . A 20 ALA CB . 30559 1 223 . 1 1 21 21 ALA H H 1 7.991 0.020 . 1 . . . . A 21 ALA H . 30559 1 224 . 1 1 21 21 ALA HA H 1 4.127 0.020 . 1 . . . . A 21 ALA HA . 30559 1 225 . 1 1 21 21 ALA HB1 H 1 1.338 0.020 . 1 . . . . A 21 ALA HB1 . 30559 1 226 . 1 1 21 21 ALA HB2 H 1 1.338 0.020 . 1 . . . . A 21 ALA HB2 . 30559 1 227 . 1 1 21 21 ALA HB3 H 1 1.338 0.020 . 1 . . . . A 21 ALA HB3 . 30559 1 228 . 1 1 21 21 ALA C C 13 179.088 0.3 . 1 . . . . A 21 ALA C . 30559 1 229 . 1 1 21 21 ALA CA C 13 53.903 0.3 . 1 . . . . A 21 ALA CA . 30559 1 230 . 1 1 21 21 ALA CB C 13 18.895 0.3 . 1 . . . . A 21 ALA CB . 30559 1 231 . 1 1 21 21 ALA N N 15 117.814 0.3 . 1 . . . . A 21 ALA N . 30559 1 232 . 1 1 22 22 LEU H H 1 7.447 0.020 . 1 . . . . A 22 LEU H . 30559 1 233 . 1 1 22 22 LEU HA H 1 4.234 0.020 . 1 . . . . A 22 LEU HA . 30559 1 234 . 1 1 22 22 LEU HB2 H 1 1.441 0.020 . 2 . . . . A 22 LEU HB2 . 30559 1 235 . 1 1 22 22 LEU HB3 H 1 1.656 0.020 . 2 . . . . A 22 LEU HB3 . 30559 1 236 . 1 1 22 22 LEU HG H 1 1.443 0.020 . 1 . . . . A 22 LEU HG . 30559 1 237 . 1 1 22 22 LEU HD11 H 1 0.760 0.020 . 2 . . . . A 22 LEU HD11 . 30559 1 238 . 1 1 22 22 LEU HD12 H 1 0.760 0.020 . 2 . . . . A 22 LEU HD12 . 30559 1 239 . 1 1 22 22 LEU HD13 H 1 0.760 0.020 . 2 . . . . A 22 LEU HD13 . 30559 1 240 . 1 1 22 22 LEU HD21 H 1 0.799 0.020 . 2 . . . . A 22 LEU HD21 . 30559 1 241 . 1 1 22 22 LEU HD22 H 1 0.799 0.020 . 2 . . . . A 22 LEU HD22 . 30559 1 242 . 1 1 22 22 LEU HD23 H 1 0.799 0.020 . 2 . . . . A 22 LEU HD23 . 30559 1 243 . 1 1 22 22 LEU C C 13 178.395 0.3 . 1 . . . . A 22 LEU C . 30559 1 244 . 1 1 22 22 LEU CA C 13 55.521 0.3 . 1 . . . . A 22 LEU CA . 30559 1 245 . 1 1 22 22 LEU CB C 13 42.911 0.3 . 1 . . . . A 22 LEU CB . 30559 1 246 . 1 1 22 22 LEU CG C 13 27.391 0.3 . 1 . . . . A 22 LEU CG . 30559 1 247 . 1 1 22 22 LEU CD1 C 13 25.295 0.3 . 1 . . . . A 22 LEU CD1 . 30559 1 248 . 1 1 22 22 LEU CD2 C 13 22.899 0.3 . 1 . . . . A 22 LEU CD2 . 30559 1 249 . 1 1 22 22 LEU N N 15 117.356 0.3 . 1 . . . . A 22 LEU N . 30559 1 250 . 1 1 23 23 GLY H H 1 7.843 0.020 . 1 . . . . A 23 GLY H . 30559 1 251 . 1 1 23 23 GLY HA2 H 1 3.598 0.020 . 2 . . . . A 23 GLY HA2 . 30559 1 252 . 1 1 23 23 GLY HA3 H 1 4.120 0.020 . 2 . . . . A 23 GLY HA3 . 30559 1 253 . 1 1 23 23 GLY C C 13 172.239 0.3 . 1 . . . . A 23 GLY C . 30559 1 254 . 1 1 23 23 GLY CA C 13 44.705 0.3 . 1 . . . . A 23 GLY CA . 30559 1 255 . 1 1 23 23 GLY N N 15 106.550 0.3 . 1 . . . . A 23 GLY N . 30559 1 256 . 1 1 24 24 TRP H H 1 8.280 0.020 . 1 . . . . A 24 TRP H . 30559 1 257 . 1 1 24 24 TRP HA H 1 4.744 0.020 . 1 . . . . A 24 TRP HA . 30559 1 258 . 1 1 24 24 TRP HB2 H 1 2.909 0.020 . 2 . . . . A 24 TRP HB2 . 30559 1 259 . 1 1 24 24 TRP HB3 H 1 3.133 0.020 . 2 . . . . A 24 TRP HB3 . 30559 1 260 . 1 1 24 24 TRP HD1 H 1 7.381 0.020 . 1 . . . . A 24 TRP HD1 . 30559 1 261 . 1 1 24 24 TRP HE1 H 1 10.324 0.020 . 1 . . . . A 24 TRP HE1 . 30559 1 262 . 1 1 24 24 TRP HE3 H 1 7.114 0.020 . 1 . . . . A 24 TRP HE3 . 30559 1 263 . 1 1 24 24 TRP HZ2 H 1 7.491 0.020 . 1 . . . . A 24 TRP HZ2 . 30559 1 264 . 1 1 24 24 TRP HZ3 H 1 6.959 0.020 . 1 . . . . A 24 TRP HZ3 . 30559 1 265 . 1 1 24 24 TRP HH2 H 1 7.049 0.020 . 1 . . . . A 24 TRP HH2 . 30559 1 266 . 1 1 24 24 TRP C C 13 177.760 0.3 . 1 . . . . A 24 TRP C . 30559 1 267 . 1 1 24 24 TRP CA C 13 57.089 0.3 . 1 . . . . A 24 TRP CA . 30559 1 268 . 1 1 24 24 TRP CB C 13 29.879 0.3 . 1 . . . . A 24 TRP CB . 30559 1 269 . 1 1 24 24 TRP CD1 C 13 127.686 0.3 . 1 . . . . A 24 TRP CD1 . 30559 1 270 . 1 1 24 24 TRP CE3 C 13 119.675 0.3 . 1 . . . . A 24 TRP CE3 . 30559 1 271 . 1 1 24 24 TRP CZ2 C 13 115.141 0.3 . 1 . . . . A 24 TRP CZ2 . 30559 1 272 . 1 1 24 24 TRP CZ3 C 13 123.127 0.3 . 1 . . . . A 24 TRP CZ3 . 30559 1 273 . 1 1 24 24 TRP CH2 C 13 124.135 0.3 . 1 . . . . A 24 TRP CH2 . 30559 1 274 . 1 1 24 24 TRP N N 15 119.999 0.3 . 1 . . . . A 24 TRP N . 30559 1 275 . 1 1 24 24 TRP NE1 N 15 130.222 0.3 . 1 . . . . A 24 TRP NE1 . 30559 1 276 . 1 1 25 25 VAL H H 1 9.397 0.020 . 1 . . . . A 25 VAL H . 30559 1 277 . 1 1 25 25 VAL HA H 1 4.812 0.020 . 1 . . . . A 25 VAL HA . 30559 1 278 . 1 1 25 25 VAL HB H 1 2.404 0.020 . 1 . . . . A 25 VAL HB . 30559 1 279 . 1 1 25 25 VAL HG11 H 1 1.089 0.020 . 2 . . . . A 25 VAL HG11 . 30559 1 280 . 1 1 25 25 VAL HG12 H 1 1.089 0.020 . 2 . . . . A 25 VAL HG12 . 30559 1 281 . 1 1 25 25 VAL HG13 H 1 1.089 0.020 . 2 . . . . A 25 VAL HG13 . 30559 1 282 . 1 1 25 25 VAL HG21 H 1 1.110 0.020 . 2 . . . . A 25 VAL HG21 . 30559 1 283 . 1 1 25 25 VAL HG22 H 1 1.110 0.020 . 2 . . . . A 25 VAL HG22 . 30559 1 284 . 1 1 25 25 VAL HG23 H 1 1.110 0.020 . 2 . . . . A 25 VAL HG23 . 30559 1 285 . 1 1 25 25 VAL C C 13 175.103 0.3 . 1 . . . . A 25 VAL C . 30559 1 286 . 1 1 25 25 VAL CA C 13 59.769 0.3 . 1 . . . . A 25 VAL CA . 30559 1 287 . 1 1 25 25 VAL CB C 13 35.568 0.3 . 1 . . . . A 25 VAL CB . 30559 1 288 . 1 1 25 25 VAL CG1 C 13 21.251 0.3 . 1 . . . . A 25 VAL CG1 . 30559 1 289 . 1 1 25 25 VAL CG2 C 13 19.644 0.3 . 1 . . . . A 25 VAL CG2 . 30559 1 290 . 1 1 25 25 VAL N N 15 121.028 0.3 . 1 . . . . A 25 VAL N . 30559 1 291 . 1 1 26 26 ARG H H 1 8.716 0.020 . 1 . . . . A 26 ARG H . 30559 1 292 . 1 1 26 26 ARG HA H 1 4.843 0.020 . 1 . . . . A 26 ARG HA . 30559 1 293 . 1 1 26 26 ARG HB2 H 1 1.770 0.020 . 2 . . . . A 26 ARG HB2 . 30559 1 294 . 1 1 26 26 ARG HB3 H 1 1.915 0.020 . 2 . . . . A 26 ARG HB3 . 30559 1 295 . 1 1 26 26 ARG HG2 H 1 1.671 0.020 . 1 . . . . A 26 ARG HG2 . 30559 1 296 . 1 1 26 26 ARG HG3 H 1 1.671 0.020 . 1 . . . . A 26 ARG HG3 . 30559 1 297 . 1 1 26 26 ARG HD2 H 1 3.268 0.020 . 1 . . . . A 26 ARG HD2 . 30559 1 298 . 1 1 26 26 ARG HD3 H 1 3.268 0.020 . 1 . . . . A 26 ARG HD3 . 30559 1 299 . 1 1 26 26 ARG C C 13 175.692 0.3 . 1 . . . . A 26 ARG C . 30559 1 300 . 1 1 26 26 ARG CA C 13 56.859 0.3 . 1 . . . . A 26 ARG CA . 30559 1 301 . 1 1 26 26 ARG CB C 13 31.340 0.3 . 1 . . . . A 26 ARG CB . 30559 1 302 . 1 1 26 26 ARG CG C 13 28.449 0.3 . 1 . . . . A 26 ARG CG . 30559 1 303 . 1 1 26 26 ARG CD C 13 43.772 0.3 . 1 . . . . A 26 ARG CD . 30559 1 304 . 1 1 26 26 ARG N N 15 124.432 0.3 . 1 . . . . A 26 ARG N . 30559 1 305 . 1 1 27 27 ALA H H 1 9.336 0.020 . 1 . . . . A 27 ALA H . 30559 1 306 . 1 1 27 27 ALA HA H 1 4.889 0.020 . 1 . . . . A 27 ALA HA . 30559 1 307 . 1 1 27 27 ALA HB1 H 1 1.029 0.020 . 1 . . . . A 27 ALA HB1 . 30559 1 308 . 1 1 27 27 ALA HB2 H 1 1.029 0.020 . 1 . . . . A 27 ALA HB2 . 30559 1 309 . 1 1 27 27 ALA HB3 H 1 1.029 0.020 . 1 . . . . A 27 ALA HB3 . 30559 1 310 . 1 1 27 27 ALA C C 13 174.364 0.3 . 1 . . . . A 27 ALA C . 30559 1 311 . 1 1 27 27 ALA CA C 13 51.110 0.3 . 1 . . . . A 27 ALA CA . 30559 1 312 . 1 1 27 27 ALA CB C 13 23.490 0.3 . 1 . . . . A 27 ALA CB . 30559 1 313 . 1 1 27 27 ALA N N 15 125.676 0.3 . 1 . . . . A 27 ALA N . 30559 1 314 . 1 1 28 28 ARG H H 1 8.174 0.020 . 1 . . . . A 28 ARG H . 30559 1 315 . 1 1 28 28 ARG HA H 1 5.339 0.020 . 1 . . . . A 28 ARG HA . 30559 1 316 . 1 1 28 28 ARG HB2 H 1 1.654 0.020 . 1 . . . . A 28 ARG HB2 . 30559 1 317 . 1 1 28 28 ARG HB3 H 1 1.654 0.020 . 1 . . . . A 28 ARG HB3 . 30559 1 318 . 1 1 28 28 ARG HG2 H 1 1.551 0.020 . 1 . . . . A 28 ARG HG2 . 30559 1 319 . 1 1 28 28 ARG HG3 H 1 1.551 0.020 . 1 . . . . A 28 ARG HG3 . 30559 1 320 . 1 1 28 28 ARG HD2 H 1 3.192 0.020 . 1 . . . . A 28 ARG HD2 . 30559 1 321 . 1 1 28 28 ARG HD3 H 1 3.192 0.020 . 1 . . . . A 28 ARG HD3 . 30559 1 322 . 1 1 28 28 ARG C C 13 176.559 0.3 . 1 . . . . A 28 ARG C . 30559 1 323 . 1 1 28 28 ARG CA C 13 53.591 0.3 . 1 . . . . A 28 ARG CA . 30559 1 324 . 1 1 28 28 ARG CB C 13 33.511 0.3 . 1 . . . . A 28 ARG CB . 30559 1 325 . 1 1 28 28 ARG CG C 13 27.606 0.3 . 1 . . . . A 28 ARG CG . 30559 1 326 . 1 1 28 28 ARG CD C 13 43.448 0.3 . 1 . . . . A 28 ARG CD . 30559 1 327 . 1 1 28 28 ARG N N 15 117.583 0.3 . 1 . . . . A 28 ARG N . 30559 1 328 . 1 1 29 29 VAL H H 1 9.098 0.020 . 1 . . . . A 29 VAL H . 30559 1 329 . 1 1 29 29 VAL HA H 1 3.690 0.020 . 1 . . . . A 29 VAL HA . 30559 1 330 . 1 1 29 29 VAL HB H 1 2.244 0.020 . 1 . . . . A 29 VAL HB . 30559 1 331 . 1 1 29 29 VAL HG11 H 1 0.883 0.020 . 2 . . . . A 29 VAL HG11 . 30559 1 332 . 1 1 29 29 VAL HG12 H 1 0.883 0.020 . 2 . . . . A 29 VAL HG12 . 30559 1 333 . 1 1 29 29 VAL HG13 H 1 0.883 0.020 . 2 . . . . A 29 VAL HG13 . 30559 1 334 . 1 1 29 29 VAL HG21 H 1 0.478 0.020 . 2 . . . . A 29 VAL HG21 . 30559 1 335 . 1 1 29 29 VAL HG22 H 1 0.478 0.020 . 2 . . . . A 29 VAL HG22 . 30559 1 336 . 1 1 29 29 VAL HG23 H 1 0.478 0.020 . 2 . . . . A 29 VAL HG23 . 30559 1 337 . 1 1 29 29 VAL C C 13 176.328 0.3 . 1 . . . . A 29 VAL C . 30559 1 338 . 1 1 29 29 VAL CA C 13 64.251 0.3 . 1 . . . . A 29 VAL CA . 30559 1 339 . 1 1 29 29 VAL CB C 13 32.013 0.3 . 1 . . . . A 29 VAL CB . 30559 1 340 . 1 1 29 29 VAL CG1 C 13 23.476 0.3 . 1 . . . . A 29 VAL CG1 . 30559 1 341 . 1 1 29 29 VAL CG2 C 13 21.054 0.3 . 1 . . . . A 29 VAL CG2 . 30559 1 342 . 1 1 29 29 VAL N N 15 122.981 0.3 . 1 . . . . A 29 VAL N . 30559 1 343 . 1 1 30 30 ILE H H 1 9.636 0.020 . 1 . . . . A 30 ILE H . 30559 1 344 . 1 1 30 30 ILE HA H 1 4.233 0.020 . 1 . . . . A 30 ILE HA . 30559 1 345 . 1 1 30 30 ILE HB H 1 1.666 0.020 . 1 . . . . A 30 ILE HB . 30559 1 346 . 1 1 30 30 ILE HG12 H 1 1.297 0.020 . 1 . . . . A 30 ILE HG12 . 30559 1 347 . 1 1 30 30 ILE HG13 H 1 1.297 0.020 . 1 . . . . A 30 ILE HG13 . 30559 1 348 . 1 1 30 30 ILE HG21 H 1 0.846 0.020 . 1 . . . . A 30 ILE HG21 . 30559 1 349 . 1 1 30 30 ILE HG22 H 1 0.846 0.020 . 1 . . . . A 30 ILE HG22 . 30559 1 350 . 1 1 30 30 ILE HG23 H 1 0.846 0.020 . 1 . . . . A 30 ILE HG23 . 30559 1 351 . 1 1 30 30 ILE HD11 H 1 0.660 0.020 . 1 . . . . A 30 ILE HD11 . 30559 1 352 . 1 1 30 30 ILE HD12 H 1 0.660 0.020 . 1 . . . . A 30 ILE HD12 . 30559 1 353 . 1 1 30 30 ILE HD13 H 1 0.660 0.020 . 1 . . . . A 30 ILE HD13 . 30559 1 354 . 1 1 30 30 ILE C C 13 175.808 0.3 . 1 . . . . A 30 ILE C . 30559 1 355 . 1 1 30 30 ILE CA C 13 61.285 0.3 . 1 . . . . A 30 ILE CA . 30559 1 356 . 1 1 30 30 ILE CB C 13 37.679 0.3 . 1 . . . . A 30 ILE CB . 30559 1 357 . 1 1 30 30 ILE CG1 C 13 26.565 0.3 . 1 . . . . A 30 ILE CG1 . 30559 1 358 . 1 1 30 30 ILE CG2 C 13 16.939 0.3 . 1 . . . . A 30 ILE CG2 . 30559 1 359 . 1 1 30 30 ILE CD1 C 13 10.444 0.3 . 1 . . . . A 30 ILE CD1 . 30559 1 360 . 1 1 30 30 ILE N N 15 129.869 0.3 . 1 . . . . A 30 ILE N . 30559 1 361 . 1 1 31 31 ARG H H 1 7.548 0.020 . 1 . . . . A 31 ARG H . 30559 1 362 . 1 1 31 31 ARG HA H 1 4.535 0.020 . 1 . . . . A 31 ARG HA . 30559 1 363 . 1 1 31 31 ARG HB2 H 1 1.753 0.020 . 2 . . . . A 31 ARG HB2 . 30559 1 364 . 1 1 31 31 ARG HB3 H 1 1.892 0.020 . 2 . . . . A 31 ARG HB3 . 30559 1 365 . 1 1 31 31 ARG HG2 H 1 1.321 0.020 . 2 . . . . A 31 ARG HG2 . 30559 1 366 . 1 1 31 31 ARG HG3 H 1 1.407 0.020 . 2 . . . . A 31 ARG HG3 . 30559 1 367 . 1 1 31 31 ARG HD2 H 1 3.155 0.020 . 2 . . . . A 31 ARG HD2 . 30559 1 368 . 1 1 31 31 ARG HD3 H 1 3.237 0.020 . 2 . . . . A 31 ARG HD3 . 30559 1 369 . 1 1 31 31 ARG C C 13 173.036 0.3 . 1 . . . . A 31 ARG C . 30559 1 370 . 1 1 31 31 ARG CA C 13 55.301 0.3 . 1 . . . . A 31 ARG CA . 30559 1 371 . 1 1 31 31 ARG CB C 13 32.870 0.3 . 1 . . . . A 31 ARG CB . 30559 1 372 . 1 1 31 31 ARG CG C 13 26.611 0.3 . 1 . . . . A 31 ARG CG . 30559 1 373 . 1 1 31 31 ARG CD C 13 43.141 0.3 . 1 . . . . A 31 ARG CD . 30559 1 374 . 1 1 31 31 ARG N N 15 113.511 0.3 . 1 . . . . A 31 ARG N . 30559 1 375 . 1 1 32 32 VAL H H 1 8.963 0.020 . 1 . . . . A 32 VAL H . 30559 1 376 . 1 1 32 32 VAL HA H 1 4.422 0.020 . 1 . . . . A 32 VAL HA . 30559 1 377 . 1 1 32 32 VAL HB H 1 2.047 0.020 . 1 . . . . A 32 VAL HB . 30559 1 378 . 1 1 32 32 VAL HG11 H 1 1.005 0.020 . 2 . . . . A 32 VAL HG11 . 30559 1 379 . 1 1 32 32 VAL HG12 H 1 1.005 0.020 . 2 . . . . A 32 VAL HG12 . 30559 1 380 . 1 1 32 32 VAL HG13 H 1 1.005 0.020 . 2 . . . . A 32 VAL HG13 . 30559 1 381 . 1 1 32 32 VAL HG21 H 1 0.812 0.020 . 2 . . . . A 32 VAL HG21 . 30559 1 382 . 1 1 32 32 VAL HG22 H 1 0.812 0.020 . 2 . . . . A 32 VAL HG22 . 30559 1 383 . 1 1 32 32 VAL HG23 H 1 0.812 0.020 . 2 . . . . A 32 VAL HG23 . 30559 1 384 . 1 1 32 32 VAL C C 13 175.854 0.3 . 1 . . . . A 32 VAL C . 30559 1 385 . 1 1 32 32 VAL CA C 13 62.308 0.3 . 1 . . . . A 32 VAL CA . 30559 1 386 . 1 1 32 32 VAL CB C 13 32.864 0.3 . 1 . . . . A 32 VAL CB . 30559 1 387 . 1 1 32 32 VAL CG1 C 13 21.684 0.3 . 1 . . . . A 32 VAL CG1 . 30559 1 388 . 1 1 32 32 VAL CG2 C 13 20.982 0.3 . 1 . . . . A 32 VAL CG2 . 30559 1 389 . 1 1 32 32 VAL N N 15 122.426 0.3 . 1 . . . . A 32 VAL N . 30559 1 390 . 1 1 33 33 LYS H H 1 8.701 0.020 . 1 . . . . A 33 LYS H . 30559 1 391 . 1 1 33 33 LYS HA H 1 4.713 0.020 . 1 . . . . A 33 LYS HA . 30559 1 392 . 1 1 33 33 LYS HB2 H 1 1.547 0.020 . 2 . . . . A 33 LYS HB2 . 30559 1 393 . 1 1 33 33 LYS HB3 H 1 2.052 0.020 . 2 . . . . A 33 LYS HB3 . 30559 1 394 . 1 1 33 33 LYS HG2 H 1 1.356 0.020 . 1 . . . . A 33 LYS HG2 . 30559 1 395 . 1 1 33 33 LYS HG3 H 1 1.356 0.020 . 1 . . . . A 33 LYS HG3 . 30559 1 396 . 1 1 33 33 LYS HD2 H 1 1.514 0.020 . 2 . . . . A 33 LYS HD2 . 30559 1 397 . 1 1 33 33 LYS HD3 H 1 1.602 0.020 . 2 . . . . A 33 LYS HD3 . 30559 1 398 . 1 1 33 33 LYS HE2 H 1 2.872 0.020 . 1 . . . . A 33 LYS HE2 . 30559 1 399 . 1 1 33 33 LYS HE3 H 1 2.872 0.020 . 1 . . . . A 33 LYS HE3 . 30559 1 400 . 1 1 33 33 LYS C C 13 175.554 0.3 . 1 . . . . A 33 LYS C . 30559 1 401 . 1 1 33 33 LYS CA C 13 54.694 0.3 . 1 . . . . A 33 LYS CA . 30559 1 402 . 1 1 33 33 LYS CB C 13 35.369 0.3 . 1 . . . . A 33 LYS CB . 30559 1 403 . 1 1 33 33 LYS CG C 13 25.263 0.3 . 1 . . . . A 33 LYS CG . 30559 1 404 . 1 1 33 33 LYS CD C 13 29.453 0.3 . 1 . . . . A 33 LYS CD . 30559 1 405 . 1 1 33 33 LYS CE C 13 41.518 0.3 . 1 . . . . A 33 LYS CE . 30559 1 406 . 1 1 33 33 LYS N N 15 125.895 0.3 . 1 . . . . A 33 LYS N . 30559 1 407 . 1 1 34 34 SER H H 1 8.395 0.020 . 1 . . . . A 34 SER H . 30559 1 408 . 1 1 34 34 SER HA H 1 4.387 0.020 . 1 . . . . A 34 SER HA . 30559 1 409 . 1 1 34 34 SER HB2 H 1 4.012 0.020 . 1 . . . . A 34 SER HB2 . 30559 1 410 . 1 1 34 34 SER HB3 H 1 4.012 0.020 . 1 . . . . A 34 SER HB3 . 30559 1 411 . 1 1 34 34 SER C C 13 175.773 0.3 . 1 . . . . A 34 SER C . 30559 1 412 . 1 1 34 34 SER CA C 13 59.131 0.3 . 1 . . . . A 34 SER CA . 30559 1 413 . 1 1 34 34 SER CB C 13 63.760 0.3 . 1 . . . . A 34 SER CB . 30559 1 414 . 1 1 34 34 SER N N 15 114.590 0.3 . 1 . . . . A 34 SER N . 30559 1 415 . 1 1 35 35 GLY H H 1 9.093 0.020 . 1 . . . . A 35 GLY H . 30559 1 416 . 1 1 35 35 GLY HA2 H 1 3.906 0.020 . 2 . . . . A 35 GLY HA2 . 30559 1 417 . 1 1 35 35 GLY HA3 H 1 4.087 0.020 . 2 . . . . A 35 GLY HA3 . 30559 1 418 . 1 1 35 35 GLY C C 13 176.258 0.3 . 1 . . . . A 35 GLY C . 30559 1 419 . 1 1 35 35 GLY CA C 13 46.227 0.3 . 1 . . . . A 35 GLY CA . 30559 1 420 . 1 1 35 35 GLY N N 15 110.043 0.3 . 1 . . . . A 35 GLY N . 30559 1 421 . 1 1 36 36 GLY H H 1 8.685 0.020 . 1 . . . . A 36 GLY H . 30559 1 422 . 1 1 36 36 GLY HA2 H 1 3.823 0.020 . 2 . . . . A 36 GLY HA2 . 30559 1 423 . 1 1 36 36 GLY HA3 H 1 4.097 0.020 . 2 . . . . A 36 GLY HA3 . 30559 1 424 . 1 1 36 36 GLY C C 13 174.145 0.3 . 1 . . . . A 36 GLY C . 30559 1 425 . 1 1 36 36 GLY CA C 13 46.492 0.3 . 1 . . . . A 36 GLY CA . 30559 1 426 . 1 1 36 36 GLY N N 15 108.580 0.3 . 1 . . . . A 36 GLY N . 30559 1 427 . 1 1 37 37 ARG H H 1 6.748 0.020 . 1 . . . . A 37 ARG H . 30559 1 428 . 1 1 37 37 ARG HA H 1 4.784 0.020 . 1 . . . . A 37 ARG HA . 30559 1 429 . 1 1 37 37 ARG HB2 H 1 1.668 0.020 . 2 . . . . A 37 ARG HB2 . 30559 1 430 . 1 1 37 37 ARG HB3 H 1 1.461 0.020 . 2 . . . . A 37 ARG HB3 . 30559 1 431 . 1 1 37 37 ARG HG2 H 1 1.397 0.020 . 1 . . . . A 37 ARG HG2 . 30559 1 432 . 1 1 37 37 ARG HG3 H 1 1.397 0.020 . 1 . . . . A 37 ARG HG3 . 30559 1 433 . 1 1 37 37 ARG HD2 H 1 3.072 0.020 . 2 . . . . A 37 ARG HD2 . 30559 1 434 . 1 1 37 37 ARG HD3 H 1 3.271 0.020 . 2 . . . . A 37 ARG HD3 . 30559 1 435 . 1 1 37 37 ARG C C 13 174.942 0.3 . 1 . . . . A 37 ARG C . 30559 1 436 . 1 1 37 37 ARG CA C 13 55.216 0.3 . 1 . . . . A 37 ARG CA . 30559 1 437 . 1 1 37 37 ARG CB C 13 32.859 0.3 . 1 . . . . A 37 ARG CB . 30559 1 438 . 1 1 37 37 ARG CG C 13 27.495 0.3 . 1 . . . . A 37 ARG CG . 30559 1 439 . 1 1 37 37 ARG CD C 13 43.634 0.3 . 1 . . . . A 37 ARG CD . 30559 1 440 . 1 1 37 37 ARG N N 15 117.454 0.3 . 1 . . . . A 37 ARG N . 30559 1 441 . 1 1 38 38 VAL H H 1 8.977 0.020 . 1 . . . . A 38 VAL H . 30559 1 442 . 1 1 38 38 VAL HA H 1 4.566 0.020 . 1 . . . . A 38 VAL HA . 30559 1 443 . 1 1 38 38 VAL HB H 1 1.895 0.020 . 1 . . . . A 38 VAL HB . 30559 1 444 . 1 1 38 38 VAL HG11 H 1 0.783 0.020 . 1 . . . . A 38 VAL HG11 . 30559 1 445 . 1 1 38 38 VAL HG12 H 1 0.783 0.020 . 1 . . . . A 38 VAL HG12 . 30559 1 446 . 1 1 38 38 VAL HG13 H 1 0.783 0.020 . 1 . . . . A 38 VAL HG13 . 30559 1 447 . 1 1 38 38 VAL HG21 H 1 0.783 0.020 . 1 . . . . A 38 VAL HG21 . 30559 1 448 . 1 1 38 38 VAL HG22 H 1 0.783 0.020 . 1 . . . . A 38 VAL HG22 . 30559 1 449 . 1 1 38 38 VAL HG23 H 1 0.783 0.020 . 1 . . . . A 38 VAL HG23 . 30559 1 450 . 1 1 38 38 VAL C C 13 173.914 0.3 . 1 . . . . A 38 VAL C . 30559 1 451 . 1 1 38 38 VAL CA C 13 60.511 0.3 . 1 . . . . A 38 VAL CA . 30559 1 452 . 1 1 38 38 VAL CB C 13 34.726 0.3 . 1 . . . . A 38 VAL CB . 30559 1 453 . 1 1 38 38 VAL CG1 C 13 22.493 0.3 . 1 . . . . A 38 VAL CG1 . 30559 1 454 . 1 1 38 38 VAL CG2 C 13 21.183 0.3 . 1 . . . . A 38 VAL CG2 . 30559 1 455 . 1 1 38 38 VAL N N 15 119.294 0.3 . 1 . . . . A 38 VAL N . 30559 1 456 . 1 1 39 39 VAL H H 1 9.040 0.020 . 1 . . . . A 39 VAL H . 30559 1 457 . 1 1 39 39 VAL HA H 1 4.459 0.020 . 1 . . . . A 39 VAL HA . 30559 1 458 . 1 1 39 39 VAL HB H 1 1.894 0.020 . 1 . . . . A 39 VAL HB . 30559 1 459 . 1 1 39 39 VAL HG11 H 1 0.896 0.020 . 2 . . . . A 39 VAL HG11 . 30559 1 460 . 1 1 39 39 VAL HG12 H 1 0.896 0.020 . 2 . . . . A 39 VAL HG12 . 30559 1 461 . 1 1 39 39 VAL HG13 H 1 0.896 0.020 . 2 . . . . A 39 VAL HG13 . 30559 1 462 . 1 1 39 39 VAL HG21 H 1 0.817 0.020 . 2 . . . . A 39 VAL HG21 . 30559 1 463 . 1 1 39 39 VAL HG22 H 1 0.817 0.020 . 2 . . . . A 39 VAL HG22 . 30559 1 464 . 1 1 39 39 VAL HG23 H 1 0.817 0.020 . 2 . . . . A 39 VAL HG23 . 30559 1 465 . 1 1 39 39 VAL C C 13 176.027 0.3 . 1 . . . . A 39 VAL C . 30559 1 466 . 1 1 39 39 VAL CA C 13 62.160 0.3 . 1 . . . . A 39 VAL CA . 30559 1 467 . 1 1 39 39 VAL CB C 13 31.910 0.3 . 1 . . . . A 39 VAL CB . 30559 1 468 . 1 1 39 39 VAL CG1 C 13 20.839 0.3 . 1 . . . . A 39 VAL CG1 . 30559 1 469 . 1 1 39 39 VAL CG2 C 13 20.836 0.3 . 1 . . . . A 39 VAL CG2 . 30559 1 470 . 1 1 39 39 VAL N N 15 126.897 0.3 . 1 . . . . A 39 VAL N . 30559 1 471 . 1 1 40 40 VAL H H 1 8.982 0.020 . 1 . . . . A 40 VAL H . 30559 1 472 . 1 1 40 40 VAL HA H 1 5.212 0.020 . 1 . . . . A 40 VAL HA . 30559 1 473 . 1 1 40 40 VAL HB H 1 1.560 0.020 . 1 . . . . A 40 VAL HB . 30559 1 474 . 1 1 40 40 VAL HG11 H 1 0.496 0.020 . 2 . . . . A 40 VAL HG11 . 30559 1 475 . 1 1 40 40 VAL HG12 H 1 0.496 0.020 . 2 . . . . A 40 VAL HG12 . 30559 1 476 . 1 1 40 40 VAL HG13 H 1 0.496 0.020 . 2 . . . . A 40 VAL HG13 . 30559 1 477 . 1 1 40 40 VAL HG21 H 1 -0.150 0.020 . 2 . . . . A 40 VAL HG21 . 30559 1 478 . 1 1 40 40 VAL HG22 H 1 -0.150 0.020 . 2 . . . . A 40 VAL HG22 . 30559 1 479 . 1 1 40 40 VAL HG23 H 1 -0.150 0.020 . 2 . . . . A 40 VAL HG23 . 30559 1 480 . 1 1 40 40 VAL C C 13 173.440 0.3 . 1 . . . . A 40 VAL C . 30559 1 481 . 1 1 40 40 VAL CA C 13 58.051 0.3 . 1 . . . . A 40 VAL CA . 30559 1 482 . 1 1 40 40 VAL CB C 13 34.967 0.3 . 1 . . . . A 40 VAL CB . 30559 1 483 . 1 1 40 40 VAL CG1 C 13 21.642 0.3 . 1 . . . . A 40 VAL CG1 . 30559 1 484 . 1 1 40 40 VAL CG2 C 13 17.614 0.3 . 1 . . . . A 40 VAL CG2 . 30559 1 485 . 1 1 40 40 VAL N N 15 121.218 0.3 . 1 . . . . A 40 VAL N . 30559 1 486 . 1 1 41 41 GLN H H 1 8.631 0.020 . 1 . . . . A 41 GLN H . 30559 1 487 . 1 1 41 41 GLN HA H 1 5.385 0.020 . 1 . . . . A 41 GLN HA . 30559 1 488 . 1 1 41 41 GLN HB2 H 1 1.804 0.020 . 2 . . . . A 41 GLN HB2 . 30559 1 489 . 1 1 41 41 GLN HB3 H 1 1.995 0.020 . 2 . . . . A 41 GLN HB3 . 30559 1 490 . 1 1 41 41 GLN HG2 H 1 2.103 0.020 . 2 . . . . A 41 GLN HG2 . 30559 1 491 . 1 1 41 41 GLN HG3 H 1 2.386 0.020 . 2 . . . . A 41 GLN HG3 . 30559 1 492 . 1 1 41 41 GLN HE21 H 1 7.709 0.020 . 1 . . . . A 41 GLN HE21 . 30559 1 493 . 1 1 41 41 GLN HE22 H 1 6.796 0.020 . 1 . . . . A 41 GLN HE22 . 30559 1 494 . 1 1 41 41 GLN C C 13 177.321 0.3 . 1 . . . . A 41 GLN C . 30559 1 495 . 1 1 41 41 GLN CA C 13 53.629 0.3 . 1 . . . . A 41 GLN CA . 30559 1 496 . 1 1 41 41 GLN CB C 13 32.487 0.3 . 1 . . . . A 41 GLN CB . 30559 1 497 . 1 1 41 41 GLN CG C 13 34.048 0.3 . 1 . . . . A 41 GLN CG . 30559 1 498 . 1 1 41 41 GLN N N 15 117.352 0.3 . 1 . . . . A 41 GLN N . 30559 1 499 . 1 1 41 41 GLN NE2 N 15 111.315 0.3 . 1 . . . . A 41 GLN NE2 . 30559 1 500 . 1 1 42 42 SER H H 1 9.595 0.020 . 1 . . . . A 42 SER H . 30559 1 501 . 1 1 42 42 SER HA H 1 4.949 0.020 . 1 . . . . A 42 SER HA . 30559 1 502 . 1 1 42 42 SER HB2 H 1 4.669 0.020 . 2 . . . . A 42 SER HB2 . 30559 1 503 . 1 1 42 42 SER HB3 H 1 4.120 0.020 . 2 . . . . A 42 SER HB3 . 30559 1 504 . 1 1 42 42 SER C C 13 175.947 0.3 . 1 . . . . A 42 SER C . 30559 1 505 . 1 1 42 42 SER CA C 13 57.378 0.3 . 1 . . . . A 42 SER CA . 30559 1 506 . 1 1 42 42 SER CB C 13 65.619 0.3 . 1 . . . . A 42 SER CB . 30559 1 507 . 1 1 42 42 SER N N 15 124.189 0.3 . 1 . . . . A 42 SER N . 30559 1 508 . 1 1 43 43 ASP H H 1 9.058 0.020 . 1 . . . . A 43 ASP H . 30559 1 509 . 1 1 43 43 ASP HA H 1 4.504 0.020 . 1 . . . . A 43 ASP HA . 30559 1 510 . 1 1 43 43 ASP HB2 H 1 2.797 0.020 . 1 . . . . A 43 ASP HB2 . 30559 1 511 . 1 1 43 43 ASP HB3 H 1 2.797 0.020 . 1 . . . . A 43 ASP HB3 . 30559 1 512 . 1 1 43 43 ASP C C 13 177.356 0.3 . 1 . . . . A 43 ASP C . 30559 1 513 . 1 1 43 43 ASP CA C 13 56.940 0.3 . 1 . . . . A 43 ASP CA . 30559 1 514 . 1 1 43 43 ASP CB C 13 40.084 0.3 . 1 . . . . A 43 ASP CB . 30559 1 515 . 1 1 43 43 ASP N N 15 122.563 0.3 . 1 . . . . A 43 ASP N . 30559 1 516 . 1 1 44 44 GLN H H 1 7.903 0.020 . 1 . . . . A 44 GLN H . 30559 1 517 . 1 1 44 44 GLN HA H 1 4.422 0.020 . 1 . . . . A 44 GLN HA . 30559 1 518 . 1 1 44 44 GLN HB2 H 1 1.967 0.020 . 2 . . . . A 44 GLN HB2 . 30559 1 519 . 1 1 44 44 GLN HB3 H 1 2.368 0.020 . 2 . . . . A 44 GLN HB3 . 30559 1 520 . 1 1 44 44 GLN HG2 H 1 2.490 0.020 . 1 . . . . A 44 GLN HG2 . 30559 1 521 . 1 1 44 44 GLN HG3 H 1 2.490 0.020 . 1 . . . . A 44 GLN HG3 . 30559 1 522 . 1 1 44 44 GLN HE21 H 1 7.658 0.020 . 1 . . . . A 44 GLN HE21 . 30559 1 523 . 1 1 44 44 GLN HE22 H 1 6.906 0.020 . 1 . . . . A 44 GLN HE22 . 30559 1 524 . 1 1 44 44 GLN C C 13 176.536 0.3 . 1 . . . . A 44 GLN C . 30559 1 525 . 1 1 44 44 GLN CA C 13 56.292 0.3 . 1 . . . . A 44 GLN CA . 30559 1 526 . 1 1 44 44 GLN CB C 13 28.672 0.3 . 1 . . . . A 44 GLN CB . 30559 1 527 . 1 1 44 44 GLN CG C 13 34.444 0.3 . 1 . . . . A 44 GLN CG . 30559 1 528 . 1 1 44 44 GLN N N 15 115.707 0.3 . 1 . . . . A 44 GLN N . 30559 1 529 . 1 1 44 44 GLN NE2 N 15 112.601 0.3 . 1 . . . . A 44 GLN NE2 . 30559 1 530 . 1 1 45 45 GLY H H 1 8.124 0.020 . 1 . . . . A 45 GLY H . 30559 1 531 . 1 1 45 45 GLY HA2 H 1 3.690 0.020 . 2 . . . . A 45 GLY HA2 . 30559 1 532 . 1 1 45 45 GLY HA3 H 1 4.299 0.020 . 2 . . . . A 45 GLY HA3 . 30559 1 533 . 1 1 45 45 GLY C C 13 174.029 0.3 . 1 . . . . A 45 GLY C . 30559 1 534 . 1 1 45 45 GLY CA C 13 45.344 0.3 . 1 . . . . A 45 GLY CA . 30559 1 535 . 1 1 45 45 GLY N N 15 107.709 0.3 . 1 . . . . A 45 GLY N . 30559 1 536 . 1 1 46 46 ARG H H 1 7.411 0.020 . 1 . . . . A 46 ARG H . 30559 1 537 . 1 1 46 46 ARG HA H 1 4.478 0.020 . 1 . . . . A 46 ARG HA . 30559 1 538 . 1 1 46 46 ARG HB2 H 1 1.944 0.020 . 2 . . . . A 46 ARG HB2 . 30559 1 539 . 1 1 46 46 ARG HB3 H 1 1.730 0.020 . 2 . . . . A 46 ARG HB3 . 30559 1 540 . 1 1 46 46 ARG HG2 H 1 1.505 0.020 . 1 . . . . A 46 ARG HG2 . 30559 1 541 . 1 1 46 46 ARG HG3 H 1 1.505 0.020 . 1 . . . . A 46 ARG HG3 . 30559 1 542 . 1 1 46 46 ARG HD2 H 1 3.083 0.020 . 2 . . . . A 46 ARG HD2 . 30559 1 543 . 1 1 46 46 ARG HD3 H 1 3.249 0.020 . 2 . . . . A 46 ARG HD3 . 30559 1 544 . 1 1 46 46 ARG C C 13 175.011 0.3 . 1 . . . . A 46 ARG C . 30559 1 545 . 1 1 46 46 ARG CA C 13 56.202 0.3 . 1 . . . . A 46 ARG CA . 30559 1 546 . 1 1 46 46 ARG CB C 13 31.728 0.3 . 1 . . . . A 46 ARG CB . 30559 1 547 . 1 1 46 46 ARG CG C 13 28.337 0.3 . 1 . . . . A 46 ARG CG . 30559 1 548 . 1 1 46 46 ARG CD C 13 43.310 0.3 . 1 . . . . A 46 ARG CD . 30559 1 549 . 1 1 46 46 ARG N N 15 120.850 0.3 . 1 . . . . A 46 ARG N . 30559 1 550 . 1 1 47 47 GLU H H 1 8.825 0.020 . 1 . . . . A 47 GLU H . 30559 1 551 . 1 1 47 47 GLU HA H 1 5.611 0.020 . 1 . . . . A 47 GLU HA . 30559 1 552 . 1 1 47 47 GLU HB2 H 1 1.963 0.020 . 1 . . . . A 47 GLU HB2 . 30559 1 553 . 1 1 47 47 GLU HB3 H 1 1.963 0.020 . 1 . . . . A 47 GLU HB3 . 30559 1 554 . 1 1 47 47 GLU HG2 H 1 1.962 0.020 . 2 . . . . A 47 GLU HG2 . 30559 1 555 . 1 1 47 47 GLU HG3 H 1 2.199 0.020 . 2 . . . . A 47 GLU HG3 . 30559 1 556 . 1 1 47 47 GLU C C 13 176.201 0.3 . 1 . . . . A 47 GLU C . 30559 1 557 . 1 1 47 47 GLU CA C 13 54.872 0.3 . 1 . . . . A 47 GLU CA . 30559 1 558 . 1 1 47 47 GLU CB C 13 31.884 0.3 . 1 . . . . A 47 GLU CB . 30559 1 559 . 1 1 47 47 GLU CG C 13 37.440 0.3 . 1 . . . . A 47 GLU CG . 30559 1 560 . 1 1 47 47 GLU N N 15 127.176 0.3 . 1 . . . . A 47 GLU N . 30559 1 561 . 1 1 48 48 PHE H H 1 8.857 0.020 . 1 . . . . A 48 PHE H . 30559 1 562 . 1 1 48 48 PHE HA H 1 5.002 0.020 . 1 . . . . A 48 PHE HA . 30559 1 563 . 1 1 48 48 PHE HB2 H 1 3.195 0.020 . 2 . . . . A 48 PHE HB2 . 30559 1 564 . 1 1 48 48 PHE HB3 H 1 3.131 0.020 . 2 . . . . A 48 PHE HB3 . 30559 1 565 . 1 1 48 48 PHE HD1 H 1 6.919 0.020 . 1 . . . . A 48 PHE HD1 . 30559 1 566 . 1 1 48 48 PHE HD2 H 1 6.919 0.020 . 1 . . . . A 48 PHE HD2 . 30559 1 567 . 1 1 48 48 PHE HE1 H 1 6.944 0.020 . 1 . . . . A 48 PHE HE1 . 30559 1 568 . 1 1 48 48 PHE HE2 H 1 6.944 0.020 . 1 . . . . A 48 PHE HE2 . 30559 1 569 . 1 1 48 48 PHE HZ H 1 6.794 0.020 . 1 . . . . A 48 PHE HZ . 30559 1 570 . 1 1 48 48 PHE C C 13 172.551 0.3 . 1 . . . . A 48 PHE C . 30559 1 571 . 1 1 48 48 PHE CA C 13 56.248 0.3 . 1 . . . . A 48 PHE CA . 30559 1 572 . 1 1 48 48 PHE CB C 13 39.954 0.3 . 1 . . . . A 48 PHE CB . 30559 1 573 . 1 1 48 48 PHE CD1 C 13 132.931 0.3 . 1 . . . . A 48 PHE CD1 . 30559 1 574 . 1 1 48 48 PHE CD2 C 13 132.931 0.3 . 1 . . . . A 48 PHE CD2 . 30559 1 575 . 1 1 48 48 PHE CE1 C 13 130.312 0.3 . 1 . . . . A 48 PHE CE1 . 30559 1 576 . 1 1 48 48 PHE CE2 C 13 130.312 0.3 . 1 . . . . A 48 PHE CE2 . 30559 1 577 . 1 1 48 48 PHE CZ C 13 128.654 0.3 . 1 . . . . A 48 PHE CZ . 30559 1 578 . 1 1 48 48 PHE N N 15 122.333 0.3 . 1 . . . . A 48 PHE N . 30559 1 579 . 1 1 49 49 THR H H 1 8.603 0.020 . 1 . . . . A 49 THR H . 30559 1 580 . 1 1 49 49 THR HA H 1 4.961 0.020 . 1 . . . . A 49 THR HA . 30559 1 581 . 1 1 49 49 THR HB H 1 4.024 0.020 . 1 . . . . A 49 THR HB . 30559 1 582 . 1 1 49 49 THR HG21 H 1 1.062 0.020 . 1 . . . . A 49 THR HG21 . 30559 1 583 . 1 1 49 49 THR HG22 H 1 1.062 0.020 . 1 . . . . A 49 THR HG22 . 30559 1 584 . 1 1 49 49 THR HG23 H 1 1.062 0.020 . 1 . . . . A 49 THR HG23 . 30559 1 585 . 1 1 49 49 THR C C 13 173.255 0.3 . 1 . . . . A 49 THR C . 30559 1 586 . 1 1 49 49 THR CA C 13 62.159 0.3 . 1 . . . . A 49 THR CA . 30559 1 587 . 1 1 49 49 THR CB C 13 69.488 0.3 . 1 . . . . A 49 THR CB . 30559 1 588 . 1 1 49 49 THR CG2 C 13 22.149 0.3 . 1 . . . . A 49 THR CG2 . 30559 1 589 . 1 1 49 49 THR N N 15 115.567 0.3 . 1 . . . . A 49 THR N . 30559 1 590 . 1 1 50 50 ALA H H 1 9.329 0.020 . 1 . . . . A 50 ALA H . 30559 1 591 . 1 1 50 50 ALA HA H 1 4.771 0.020 . 1 . . . . A 50 ALA HA . 30559 1 592 . 1 1 50 50 ALA HB1 H 1 1.180 0.020 . 1 . . . . A 50 ALA HB1 . 30559 1 593 . 1 1 50 50 ALA HB2 H 1 1.180 0.020 . 1 . . . . A 50 ALA HB2 . 30559 1 594 . 1 1 50 50 ALA HB3 H 1 1.180 0.020 . 1 . . . . A 50 ALA HB3 . 30559 1 595 . 1 1 50 50 ALA C C 13 176.154 0.3 . 1 . . . . A 50 ALA C . 30559 1 596 . 1 1 50 50 ALA CA C 13 50.139 0.3 . 1 . . . . A 50 ALA CA . 30559 1 597 . 1 1 50 50 ALA CB C 13 22.368 0.3 . 1 . . . . A 50 ALA CB . 30559 1 598 . 1 1 50 50 ALA N N 15 130.832 0.3 . 1 . . . . A 50 ALA N . 30559 1 599 . 1 1 51 51 ARG H H 1 8.460 0.020 . 1 . . . . A 51 ARG H . 30559 1 600 . 1 1 51 51 ARG HA H 1 4.745 0.020 . 1 . . . . A 51 ARG HA . 30559 1 601 . 1 1 51 51 ARG HB2 H 1 2.029 0.020 . 2 . . . . A 51 ARG HB2 . 30559 1 602 . 1 1 51 51 ARG HB3 H 1 1.782 0.020 . 2 . . . . A 51 ARG HB3 . 30559 1 603 . 1 1 51 51 ARG HG2 H 1 1.657 0.020 . 1 . . . . A 51 ARG HG2 . 30559 1 604 . 1 1 51 51 ARG HG3 H 1 1.657 0.020 . 1 . . . . A 51 ARG HG3 . 30559 1 605 . 1 1 51 51 ARG HD2 H 1 3.249 0.020 . 1 . . . . A 51 ARG HD2 . 30559 1 606 . 1 1 51 51 ARG HD3 H 1 3.249 0.020 . 1 . . . . A 51 ARG HD3 . 30559 1 607 . 1 1 51 51 ARG C C 13 178.453 0.3 . 1 . . . . A 51 ARG C . 30559 1 608 . 1 1 51 51 ARG CA C 13 55.301 0.3 . 1 . . . . A 51 ARG CA . 30559 1 609 . 1 1 51 51 ARG CB C 13 31.909 0.3 . 1 . . . . A 51 ARG CB . 30559 1 610 . 1 1 51 51 ARG CG C 13 27.643 0.3 . 1 . . . . A 51 ARG CG . 30559 1 611 . 1 1 51 51 ARG CD C 13 43.407 0.3 . 1 . . . . A 51 ARG CD . 30559 1 612 . 1 1 51 51 ARG N N 15 118.422 0.3 . 1 . . . . A 51 ARG N . 30559 1 613 . 1 1 52 52 GLY H H 1 8.701 0.020 . 1 . . . . A 52 GLY H . 30559 1 614 . 1 1 52 52 GLY HA2 H 1 3.712 0.020 . 2 . . . . A 52 GLY HA2 . 30559 1 615 . 1 1 52 52 GLY HA3 H 1 4.053 0.020 . 2 . . . . A 52 GLY HA3 . 30559 1 616 . 1 1 52 52 GLY C C 13 175.277 0.3 . 1 . . . . A 52 GLY C . 30559 1 617 . 1 1 52 52 GLY CA C 13 48.020 0.3 . 1 . . . . A 52 GLY CA . 30559 1 618 . 1 1 52 52 GLY N N 15 109.027 0.3 . 1 . . . . A 52 GLY N . 30559 1 619 . 1 1 53 53 ASN H H 1 8.307 0.020 . 1 . . . . A 53 ASN H . 30559 1 620 . 1 1 53 53 ASN HA H 1 4.804 0.020 . 1 . . . . A 53 ASN HA . 30559 1 621 . 1 1 53 53 ASN HB2 H 1 2.913 0.020 . 2 . . . . A 53 ASN HB2 . 30559 1 622 . 1 1 53 53 ASN HB3 H 1 3.181 0.020 . 2 . . . . A 53 ASN HB3 . 30559 1 623 . 1 1 53 53 ASN HD21 H 1 7.616 0.020 . 1 . . . . A 53 ASN HD21 . 30559 1 624 . 1 1 53 53 ASN HD22 H 1 6.845 0.020 . 1 . . . . A 53 ASN HD22 . 30559 1 625 . 1 1 53 53 ASN C C 13 176.547 0.3 . 1 . . . . A 53 ASN C . 30559 1 626 . 1 1 53 53 ASN CA C 13 54.033 0.3 . 1 . . . . A 53 ASN CA . 30559 1 627 . 1 1 53 53 ASN CB C 13 37.091 0.3 . 1 . . . . A 53 ASN CB . 30559 1 628 . 1 1 53 53 ASN N N 15 115.616 0.3 . 1 . . . . A 53 ASN N . 30559 1 629 . 1 1 53 53 ASN ND2 N 15 111.085 0.3 . 1 . . . . A 53 ASN ND2 . 30559 1 630 . 1 1 54 54 GLN H H 1 8.203 0.020 . 1 . . . . A 54 GLN H . 30559 1 631 . 1 1 54 54 GLN HA H 1 4.475 0.020 . 1 . . . . A 54 GLN HA . 30559 1 632 . 1 1 54 54 GLN HB2 H 1 2.341 0.020 . 2 . . . . A 54 GLN HB2 . 30559 1 633 . 1 1 54 54 GLN HB3 H 1 2.404 0.020 . 2 . . . . A 54 GLN HB3 . 30559 1 634 . 1 1 54 54 GLN HG2 H 1 2.424 0.020 . 1 . . . . A 54 GLN HG2 . 30559 1 635 . 1 1 54 54 GLN HG3 H 1 2.424 0.020 . 1 . . . . A 54 GLN HG3 . 30559 1 636 . 1 1 54 54 GLN HE21 H 1 7.549 0.020 . 1 . . . . A 54 GLN HE21 . 30559 1 637 . 1 1 54 54 GLN HE22 H 1 7.098 0.020 . 1 . . . . A 54 GLN HE22 . 30559 1 638 . 1 1 54 54 GLN C C 13 173.521 0.3 . 1 . . . . A 54 GLN C . 30559 1 639 . 1 1 54 54 GLN CA C 13 55.636 0.3 . 1 . . . . A 54 GLN CA . 30559 1 640 . 1 1 54 54 GLN CB C 13 30.542 0.3 . 1 . . . . A 54 GLN CB . 30559 1 641 . 1 1 54 54 GLN CG C 13 34.946 0.3 . 1 . . . . A 54 GLN CG . 30559 1 642 . 1 1 54 54 GLN N N 15 118.019 0.3 . 1 . . . . A 54 GLN N . 30559 1 643 . 1 1 54 54 GLN NE2 N 15 111.926 0.3 . 1 . . . . A 54 GLN NE2 . 30559 1 644 . 1 1 55 55 VAL H H 1 7.465 0.020 . 1 . . . . A 55 VAL H . 30559 1 645 . 1 1 55 55 VAL HA H 1 5.119 0.020 . 1 . . . . A 55 VAL HA . 30559 1 646 . 1 1 55 55 VAL HB H 1 2.053 0.020 . 1 . . . . A 55 VAL HB . 30559 1 647 . 1 1 55 55 VAL HG11 H 1 0.816 0.020 . 1 . . . . A 55 VAL HG11 . 30559 1 648 . 1 1 55 55 VAL HG12 H 1 0.816 0.020 . 1 . . . . A 55 VAL HG12 . 30559 1 649 . 1 1 55 55 VAL HG13 H 1 0.816 0.020 . 1 . . . . A 55 VAL HG13 . 30559 1 650 . 1 1 55 55 VAL HG21 H 1 0.816 0.020 . 1 . . . . A 55 VAL HG21 . 30559 1 651 . 1 1 55 55 VAL HG22 H 1 0.816 0.020 . 1 . . . . A 55 VAL HG22 . 30559 1 652 . 1 1 55 55 VAL HG23 H 1 0.816 0.020 . 1 . . . . A 55 VAL HG23 . 30559 1 653 . 1 1 55 55 VAL C C 13 174.907 0.3 . 1 . . . . A 55 VAL C . 30559 1 654 . 1 1 55 55 VAL CA C 13 61.085 0.3 . 1 . . . . A 55 VAL CA . 30559 1 655 . 1 1 55 55 VAL CB C 13 34.163 0.3 . 1 . . . . A 55 VAL CB . 30559 1 656 . 1 1 55 55 VAL CG1 C 13 22.081 0.3 . 1 . . . . A 55 VAL CG1 . 30559 1 657 . 1 1 55 55 VAL CG2 C 13 21.452 0.3 . 1 . . . . A 55 VAL CG2 . 30559 1 658 . 1 1 55 55 VAL N N 15 116.483 0.3 . 1 . . . . A 55 VAL N . 30559 1 659 . 1 1 56 56 ARG H H 1 9.243 0.020 . 1 . . . . A 56 ARG H . 30559 1 660 . 1 1 56 56 ARG HA H 1 4.720 0.020 . 1 . . . . A 56 ARG HA . 30559 1 661 . 1 1 56 56 ARG HB2 H 1 1.366 0.020 . 2 . . . . A 56 ARG HB2 . 30559 1 662 . 1 1 56 56 ARG HB3 H 1 1.713 0.020 . 2 . . . . A 56 ARG HB3 . 30559 1 663 . 1 1 56 56 ARG HG2 H 1 1.399 0.020 . 2 . . . . A 56 ARG HG2 . 30559 1 664 . 1 1 56 56 ARG HG3 H 1 1.520 0.020 . 2 . . . . A 56 ARG HG3 . 30559 1 665 . 1 1 56 56 ARG HD2 H 1 2.464 0.020 . 2 . . . . A 56 ARG HD2 . 30559 1 666 . 1 1 56 56 ARG HD3 H 1 2.775 0.020 . 2 . . . . A 56 ARG HD3 . 30559 1 667 . 1 1 56 56 ARG CA C 13 54.091 0.3 . 1 . . . . A 56 ARG CA . 30559 1 668 . 1 1 56 56 ARG CB C 13 34.183 0.3 . 1 . . . . A 56 ARG CB . 30559 1 669 . 1 1 56 56 ARG CG C 13 26.850 0.3 . 1 . . . . A 56 ARG CG . 30559 1 670 . 1 1 56 56 ARG CD C 13 43.262 0.3 . 1 . . . . A 56 ARG CD . 30559 1 671 . 1 1 56 56 ARG N N 15 124.294 0.3 . 1 . . . . A 56 ARG N . 30559 1 672 . 1 1 57 57 LEU H H 1 8.514 0.020 . 1 . . . . A 57 LEU H . 30559 1 673 . 1 1 57 57 LEU HA H 1 4.467 0.020 . 1 . . . . A 57 LEU HA . 30559 1 674 . 1 1 57 57 LEU HB2 H 1 1.591 0.020 . 1 . . . . A 57 LEU HB2 . 30559 1 675 . 1 1 57 57 LEU HB3 H 1 1.591 0.020 . 1 . . . . A 57 LEU HB3 . 30559 1 676 . 1 1 57 57 LEU HG H 1 1.662 0.020 . 1 . . . . A 57 LEU HG . 30559 1 677 . 1 1 57 57 LEU HD11 H 1 0.949 0.020 . 2 . . . . A 57 LEU HD11 . 30559 1 678 . 1 1 57 57 LEU HD12 H 1 0.949 0.020 . 2 . . . . A 57 LEU HD12 . 30559 1 679 . 1 1 57 57 LEU HD13 H 1 0.949 0.020 . 2 . . . . A 57 LEU HD13 . 30559 1 680 . 1 1 57 57 LEU HD21 H 1 0.892 0.020 . 2 . . . . A 57 LEU HD21 . 30559 1 681 . 1 1 57 57 LEU HD22 H 1 0.892 0.020 . 2 . . . . A 57 LEU HD22 . 30559 1 682 . 1 1 57 57 LEU HD23 H 1 0.892 0.020 . 2 . . . . A 57 LEU HD23 . 30559 1 683 . 1 1 57 57 LEU CA C 13 55.404 0.3 . 1 . . . . A 57 LEU CA . 30559 1 684 . 1 1 57 57 LEU CB C 13 42.268 0.3 . 1 . . . . A 57 LEU CB . 30559 1 685 . 1 1 57 57 LEU CG C 13 27.073 0.3 . 1 . . . . A 57 LEU CG . 30559 1 686 . 1 1 57 57 LEU CD1 C 13 25.016 0.3 . 1 . . . . A 57 LEU CD1 . 30559 1 687 . 1 1 57 57 LEU CD2 C 13 23.531 0.3 . 1 . . . . A 57 LEU CD2 . 30559 1 688 . 1 1 57 57 LEU N N 15 121.708 0.3 . 1 . . . . A 57 LEU N . 30559 1 689 . 1 1 58 58 ILE H H 1 8.440 0.020 . 1 . . . . A 58 ILE H . 30559 1 690 . 1 1 58 58 ILE HA H 1 4.025 0.020 . 1 . . . . A 58 ILE HA . 30559 1 691 . 1 1 58 58 ILE HB H 1 1.808 0.020 . 1 . . . . A 58 ILE HB . 30559 1 692 . 1 1 58 58 ILE HG12 H 1 1.062 0.020 . 2 . . . . A 58 ILE HG12 . 30559 1 693 . 1 1 58 58 ILE HG13 H 1 1.482 0.020 . 2 . . . . A 58 ILE HG13 . 30559 1 694 . 1 1 58 58 ILE HG21 H 1 0.885 0.020 . 1 . . . . A 58 ILE HG21 . 30559 1 695 . 1 1 58 58 ILE HG22 H 1 0.885 0.020 . 1 . . . . A 58 ILE HG22 . 30559 1 696 . 1 1 58 58 ILE HG23 H 1 0.885 0.020 . 1 . . . . A 58 ILE HG23 . 30559 1 697 . 1 1 58 58 ILE HD11 H 1 0.806 0.020 . 1 . . . . A 58 ILE HD11 . 30559 1 698 . 1 1 58 58 ILE HD12 H 1 0.806 0.020 . 1 . . . . A 58 ILE HD12 . 30559 1 699 . 1 1 58 58 ILE HD13 H 1 0.806 0.020 . 1 . . . . A 58 ILE HD13 . 30559 1 700 . 1 1 58 58 ILE C C 13 175.069 0.3 . 1 . . . . A 58 ILE C . 30559 1 701 . 1 1 58 58 ILE CA C 13 61.791 0.3 . 1 . . . . A 58 ILE CA . 30559 1 702 . 1 1 58 58 ILE CB C 13 38.309 0.3 . 1 . . . . A 58 ILE CB . 30559 1 703 . 1 1 58 58 ILE CG1 C 13 28.052 0.3 . 1 . . . . A 58 ILE CG1 . 30559 1 704 . 1 1 58 58 ILE CG2 C 13 17.595 0.3 . 1 . . . . A 58 ILE CG2 . 30559 1 705 . 1 1 58 58 ILE CD1 C 13 13.385 0.3 . 1 . . . . A 58 ILE CD1 . 30559 1 706 . 1 1 58 58 ILE N N 15 121.780 0.3 . 1 . . . . A 58 ILE N . 30559 1 707 . 1 1 59 59 GLU H H 1 7.885 0.020 . 1 . . . . A 59 GLU H . 30559 1 708 . 1 1 59 59 GLU HA H 1 4.135 0.020 . 1 . . . . A 59 GLU HA . 30559 1 709 . 1 1 59 59 GLU HB2 H 1 1.868 0.020 . 2 . . . . A 59 GLU HB2 . 30559 1 710 . 1 1 59 59 GLU HB3 H 1 2.009 0.020 . 2 . . . . A 59 GLU HB3 . 30559 1 711 . 1 1 59 59 GLU HG2 H 1 2.145 0.020 . 1 . . . . A 59 GLU HG2 . 30559 1 712 . 1 1 59 59 GLU HG3 H 1 2.145 0.020 . 1 . . . . A 59 GLU HG3 . 30559 1 713 . 1 1 59 59 GLU C C 13 180.890 0.3 . 1 . . . . A 59 GLU C . 30559 1 714 . 1 1 59 59 GLU CA C 13 57.935 0.3 . 1 . . . . A 59 GLU CA . 30559 1 715 . 1 1 59 59 GLU CB C 13 31.340 0.3 . 1 . . . . A 59 GLU CB . 30559 1 716 . 1 1 59 59 GLU CG C 13 36.745 0.3 . 1 . . . . A 59 GLU CG . 30559 1 717 . 1 1 59 59 GLU N N 15 129.752 0.3 . 1 . . . . A 59 GLU N . 30559 1 stop_ save_