data_30495 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30495 _Entry.Title ; Solution NMR structure of a de novo designed double-stranded beta-helix ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-19 _Entry.Accession_date 2018-07-19 _Entry.Last_release_date 2018-08-03 _Entry.Original_release_date 2018-08-03 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30495 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 E. Marcos E. . . . 30495 2 T. Chidyausiku T. M. . . 30495 3 A. McShan A. . . . 30495 4 T. Evangelidis T. . . . 30495 5 S. Nerli S. . . . 30495 6 N. Sgourakis N. . . . 30495 7 K. Tripsianes K. . . . 30495 8 D. Baker D. . . . 30495 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 30495 'beta protein' . 30495 'beta sheet' . 30495 'de novo' . 30495 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30495 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 237 30495 '15N chemical shifts' 75 30495 '1H chemical shifts' 504 30495 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 . . 2019-05-16 2018-07-19 update BMRB 'update entry citation' 30495 1 . . 2018-10-31 2018-07-19 original author 'original release' 30495 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6E5C . 30495 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30495 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41594-018-0141-6 _Citation.PubMed_ID 30374087 _Citation.Full_citation . _Citation.Title ; De novo design of a non-local beta-sheet protein with high stability and accuracy. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 25 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-9985 _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 1028 _Citation.Page_last 1034 _Citation.Year 2018 _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 Enrique Marcos E. . . . 30495 1 2 Tamuka Chidyausiku T. M. . . 30495 1 3 Andrew McShan A. C. . . 30495 1 4 Thomas Evangelidis T. . . . 30495 1 5 Santrupti Nerli S. . . . 30495 1 6 Lauren Carter L. . . . 30495 1 7 Lucas Nivon L. G. . . 30495 1 8 Audrey Davis A. . . . 30495 1 9 Gustav Oberdorfer G. . . . 30495 1 10 Konstantinos Tripsianes K. . . . 30495 1 11 Nikolaos Sgourakis N. G. . . 30495 1 12 David Baker D. . . . 30495 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30495 _Assembly.ID 1 _Assembly.Name 'De novo beta protein' _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 entity_1 1 $entity_1 A A yes . . . . . . 30495 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30495 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; TRETKVTVNPGEEYEVKVNP GTRVEIQAKGPAEFEGGGTR TRLNPGESYKFENLTSQPLR IRLRNLSDTPIEFRIREE ; _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 78 _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 8916.916 _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 . THR . 30495 1 2 . ARG . 30495 1 3 . GLU . 30495 1 4 . THR . 30495 1 5 . LYS . 30495 1 6 . VAL . 30495 1 7 . THR . 30495 1 8 . VAL . 30495 1 9 . ASN . 30495 1 10 . PRO . 30495 1 11 . GLY . 30495 1 12 . GLU . 30495 1 13 . GLU . 30495 1 14 . TYR . 30495 1 15 . GLU . 30495 1 16 . VAL . 30495 1 17 . LYS . 30495 1 18 . VAL . 30495 1 19 . ASN . 30495 1 20 . PRO . 30495 1 21 . GLY . 30495 1 22 . THR . 30495 1 23 . ARG . 30495 1 24 . VAL . 30495 1 25 . GLU . 30495 1 26 . ILE . 30495 1 27 . GLN . 30495 1 28 . ALA . 30495 1 29 . LYS . 30495 1 30 . GLY . 30495 1 31 . PRO . 30495 1 32 . ALA . 30495 1 33 . GLU . 30495 1 34 . PHE . 30495 1 35 . GLU . 30495 1 36 . GLY . 30495 1 37 . GLY . 30495 1 38 . GLY . 30495 1 39 . THR . 30495 1 40 . ARG . 30495 1 41 . THR . 30495 1 42 . ARG . 30495 1 43 . LEU . 30495 1 44 . ASN . 30495 1 45 . PRO . 30495 1 46 . GLY . 30495 1 47 . GLU . 30495 1 48 . SER . 30495 1 49 . TYR . 30495 1 50 . LYS . 30495 1 51 . PHE . 30495 1 52 . GLU . 30495 1 53 . ASN . 30495 1 54 . LEU . 30495 1 55 . THR . 30495 1 56 . SER . 30495 1 57 . GLN . 30495 1 58 . PRO . 30495 1 59 . LEU . 30495 1 60 . ARG . 30495 1 61 . ILE . 30495 1 62 . ARG . 30495 1 63 . LEU . 30495 1 64 . ARG . 30495 1 65 . ASN . 30495 1 66 . LEU . 30495 1 67 . SER . 30495 1 68 . ASP . 30495 1 69 . THR . 30495 1 70 . PRO . 30495 1 71 . ILE . 30495 1 72 . GLU . 30495 1 73 . PHE . 30495 1 74 . ARG . 30495 1 75 . ILE . 30495 1 76 . ARG . 30495 1 77 . GLU . 30495 1 78 . GLU . 30495 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 . THR 1 1 30495 1 . ARG 2 2 30495 1 . GLU 3 3 30495 1 . THR 4 4 30495 1 . LYS 5 5 30495 1 . VAL 6 6 30495 1 . THR 7 7 30495 1 . VAL 8 8 30495 1 . ASN 9 9 30495 1 . PRO 10 10 30495 1 . GLY 11 11 30495 1 . GLU 12 12 30495 1 . GLU 13 13 30495 1 . TYR 14 14 30495 1 . GLU 15 15 30495 1 . VAL 16 16 30495 1 . LYS 17 17 30495 1 . VAL 18 18 30495 1 . ASN 19 19 30495 1 . PRO 20 20 30495 1 . GLY 21 21 30495 1 . THR 22 22 30495 1 . ARG 23 23 30495 1 . VAL 24 24 30495 1 . GLU 25 25 30495 1 . ILE 26 26 30495 1 . GLN 27 27 30495 1 . ALA 28 28 30495 1 . LYS 29 29 30495 1 . GLY 30 30 30495 1 . PRO 31 31 30495 1 . ALA 32 32 30495 1 . GLU 33 33 30495 1 . PHE 34 34 30495 1 . GLU 35 35 30495 1 . GLY 36 36 30495 1 . GLY 37 37 30495 1 . GLY 38 38 30495 1 . THR 39 39 30495 1 . ARG 40 40 30495 1 . THR 41 41 30495 1 . ARG 42 42 30495 1 . LEU 43 43 30495 1 . ASN 44 44 30495 1 . PRO 45 45 30495 1 . GLY 46 46 30495 1 . GLU 47 47 30495 1 . SER 48 48 30495 1 . TYR 49 49 30495 1 . LYS 50 50 30495 1 . PHE 51 51 30495 1 . GLU 52 52 30495 1 . ASN 53 53 30495 1 . LEU 54 54 30495 1 . THR 55 55 30495 1 . SER 56 56 30495 1 . GLN 57 57 30495 1 . PRO 58 58 30495 1 . LEU 59 59 30495 1 . ARG 60 60 30495 1 . ILE 61 61 30495 1 . ARG 62 62 30495 1 . LEU 63 63 30495 1 . ARG 64 64 30495 1 . ASN 65 65 30495 1 . LEU 66 66 30495 1 . SER 67 67 30495 1 . ASP 68 68 30495 1 . THR 69 69 30495 1 . PRO 70 70 30495 1 . ILE 71 71 30495 1 . GLU 72 72 30495 1 . PHE 73 73 30495 1 . ARG 74 74 30495 1 . ILE 75 75 30495 1 . ARG 76 76 30495 1 . GLU 77 77 30495 1 . GLU 78 78 30495 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 30495 _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 . 32630 . . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 30495 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 30495 _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 . . . . . . . . . . 30495 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30495 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.81 mM [U-99% 13C; U-99% 15N] 3NIK, 95% H20/5% H2o' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H20/5% H2o' _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 3NIK '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.81 . . mM . . . . 30495 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 30495 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 30495 1 pH 6.7 . pH 30495 1 pressure 1 . bar 30495 1 temperature 310.15 . K 30495 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30495 _Software.ID 1 _Software.Type . _Software.Name CS-Rosetta _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 30495 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30495 1 'structure calculation' 30495 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30495 _Software.ID 2 _Software.Type . _Software.Name 4D-CHAINS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Evangelidis, et. al.' . . 30495 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30495 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30495 _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 . . 30495 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30495 3 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 30495 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30495 _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 NMR_spectrometer_1 Bruker AvanceIII . 800 . . . 30495 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 30495 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30495 1 2 '4D HC(CC-TOCSY(CO))NH' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30495 1 3 '4D 13C,15N edited HMQC-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30495 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 30495 _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 0.000 internal indirect 0.25144953 . . . . . 30495 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30495 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30495 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 30495 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30495 1 2 '4D HC(CC-TOCSY(CO))NH' . . . 30495 1 3 '4D 13C,15N edited HMQC-NOESY-HSQC' . . . 30495 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 THR HA H 1 4.587 0.020 . 1 . . . . A 1 THR HA . 30495 1 2 . 1 1 1 1 THR HB H 1 4.099 0.020 . 1 . . . . A 1 THR HB . 30495 1 3 . 1 1 1 1 THR HG21 H 1 1.171 0.020 . 1 . . . . A 1 THR HG21 . 30495 1 4 . 1 1 1 1 THR HG22 H 1 1.171 0.020 . 1 . . . . A 1 THR HG22 . 30495 1 5 . 1 1 1 1 THR HG23 H 1 1.171 0.020 . 1 . . . . A 1 THR HG23 . 30495 1 6 . 1 1 1 1 THR CA C 13 62.260 0.200 . 1 . . . . A 1 THR CA . 30495 1 7 . 1 1 1 1 THR CB C 13 70.239 0.039 . 1 . . . . A 1 THR CB . 30495 1 8 . 1 1 1 1 THR CG2 C 13 21.833 0.038 . 1 . . . . A 1 THR CG2 . 30495 1 9 . 1 1 2 2 ARG H H 1 8.589 0.006 . 1 . . . . A 2 ARG H . 30495 1 10 . 1 1 2 2 ARG HB2 H 1 1.900 0.020 . 1 . . . . A 2 ARG HB2 . 30495 1 11 . 1 1 2 2 ARG HB3 H 1 1.786 0.020 . 1 . . . . A 2 ARG HB3 . 30495 1 12 . 1 1 2 2 ARG CB C 13 32.622 0.060 . 1 . . . . A 2 ARG CB . 30495 1 13 . 1 1 2 2 ARG N N 15 124.335 0.014 . 1 . . . . A 2 ARG N . 30495 1 14 . 1 1 4 4 THR HB H 1 71.587 0.020 . 1 . . . . A 4 THR HB . 30495 1 15 . 1 1 4 4 THR HG21 H 1 1.168 0.003 . 1 . . . . A 4 THR HG21 . 30495 1 16 . 1 1 4 4 THR HG22 H 1 1.168 0.003 . 1 . . . . A 4 THR HG22 . 30495 1 17 . 1 1 4 4 THR HG23 H 1 1.168 0.003 . 1 . . . . A 4 THR HG23 . 30495 1 18 . 1 1 4 4 THR CB C 13 3.970 0.200 . 1 . . . . A 4 THR CB . 30495 1 19 . 1 1 4 4 THR CG2 C 13 21.238 0.056 . 1 . . . . A 4 THR CG2 . 30495 1 20 . 1 1 5 5 LYS HA H 1 5.415 0.020 . 1 . . . . A 5 LYS HA . 30495 1 21 . 1 1 5 5 LYS HB2 H 1 1.655 0.020 . 1 . . . . A 5 LYS HB2 . 30495 1 22 . 1 1 5 5 LYS HB3 H 1 1.655 0.020 . 1 . . . . A 5 LYS HB3 . 30495 1 23 . 1 1 5 5 LYS HG2 H 1 1.352 0.020 . 1 . . . . A 5 LYS HG2 . 30495 1 24 . 1 1 5 5 LYS HG3 H 1 1.218 0.020 . 1 . . . . A 5 LYS HG3 . 30495 1 25 . 1 1 5 5 LYS HD2 H 1 1.584 0.020 . 1 . . . . A 5 LYS HD2 . 30495 1 26 . 1 1 5 5 LYS HD3 H 1 1.584 0.020 . 1 . . . . A 5 LYS HD3 . 30495 1 27 . 1 1 5 5 LYS CA C 13 55.176 0.071 . 1 . . . . A 5 LYS CA . 30495 1 28 . 1 1 5 5 LYS CB C 13 34.637 0.038 . 1 . . . . A 5 LYS CB . 30495 1 29 . 1 1 5 5 LYS CG C 13 25.114 0.056 . 1 . . . . A 5 LYS CG . 30495 1 30 . 1 1 5 5 LYS CD C 13 29.358 0.200 . 1 . . . . A 5 LYS CD . 30495 1 31 . 1 1 6 6 VAL H H 1 8.625 0.006 . 1 . . . . A 6 VAL H . 30495 1 32 . 1 1 6 6 VAL HA H 1 4.492 0.003 . 1 . . . . A 6 VAL HA . 30495 1 33 . 1 1 6 6 VAL HB H 1 1.512 0.003 . 1 . . . . A 6 VAL HB . 30495 1 34 . 1 1 6 6 VAL HG11 H 1 0.257 0.008 . 1 . . . . A 6 VAL HG11 . 30495 1 35 . 1 1 6 6 VAL HG12 H 1 0.257 0.008 . 1 . . . . A 6 VAL HG12 . 30495 1 36 . 1 1 6 6 VAL HG13 H 1 0.257 0.008 . 1 . . . . A 6 VAL HG13 . 30495 1 37 . 1 1 6 6 VAL HG21 H 1 0.335 0.005 . 1 . . . . A 6 VAL HG21 . 30495 1 38 . 1 1 6 6 VAL HG22 H 1 0.335 0.005 . 1 . . . . A 6 VAL HG22 . 30495 1 39 . 1 1 6 6 VAL HG23 H 1 0.335 0.005 . 1 . . . . A 6 VAL HG23 . 30495 1 40 . 1 1 6 6 VAL CA C 13 59.880 0.023 . 1 . . . . A 6 VAL CA . 30495 1 41 . 1 1 6 6 VAL CB C 13 35.489 0.033 . 1 . . . . A 6 VAL CB . 30495 1 42 . 1 1 6 6 VAL CG1 C 13 19.735 0.053 . 1 . . . . A 6 VAL CG1 . 30495 1 43 . 1 1 6 6 VAL CG2 C 13 19.645 0.048 . 1 . . . . A 6 VAL CG2 . 30495 1 44 . 1 1 6 6 VAL N N 15 121.073 0.028 . 1 . . . . A 6 VAL N . 30495 1 45 . 1 1 7 7 THR H H 1 8.459 0.003 . 1 . . . . A 7 THR H . 30495 1 46 . 1 1 7 7 THR HA H 1 4.976 0.001 . 1 . . . . A 7 THR HA . 30495 1 47 . 1 1 7 7 THR HB H 1 3.852 0.004 . 1 . . . . A 7 THR HB . 30495 1 48 . 1 1 7 7 THR HG21 H 1 0.927 0.003 . 1 . . . . A 7 THR HG21 . 30495 1 49 . 1 1 7 7 THR HG22 H 1 0.927 0.003 . 1 . . . . A 7 THR HG22 . 30495 1 50 . 1 1 7 7 THR HG23 H 1 0.927 0.003 . 1 . . . . A 7 THR HG23 . 30495 1 51 . 1 1 7 7 THR CA C 13 58.195 41.005 . 1 . . . . A 7 THR CA . 30495 1 52 . 1 1 7 7 THR CB C 13 69.529 0.042 . 1 . . . . A 7 THR CB . 30495 1 53 . 1 1 7 7 THR CG2 C 13 21.907 0.048 . 1 . . . . A 7 THR CG2 . 30495 1 54 . 1 1 7 7 THR N N 15 122.614 0.013 . 1 . . . . A 7 THR N . 30495 1 55 . 1 1 8 8 VAL H H 1 8.822 0.002 . 1 . . . . A 8 VAL H . 30495 1 56 . 1 1 8 8 VAL HA H 1 4.293 0.001 . 1 . . . . A 8 VAL HA . 30495 1 57 . 1 1 8 8 VAL HB H 1 1.861 0.020 . 1 . . . . A 8 VAL HB . 30495 1 58 . 1 1 8 8 VAL HG11 H 1 0.681 0.001 . 1 . . . . A 8 VAL HG11 . 30495 1 59 . 1 1 8 8 VAL HG12 H 1 0.681 0.001 . 1 . . . . A 8 VAL HG12 . 30495 1 60 . 1 1 8 8 VAL HG13 H 1 0.681 0.001 . 1 . . . . A 8 VAL HG13 . 30495 1 61 . 1 1 8 8 VAL HG21 H 1 1.022 0.008 . 1 . . . . A 8 VAL HG21 . 30495 1 62 . 1 1 8 8 VAL HG22 H 1 1.022 0.008 . 1 . . . . A 8 VAL HG22 . 30495 1 63 . 1 1 8 8 VAL HG23 H 1 1.022 0.008 . 1 . . . . A 8 VAL HG23 . 30495 1 64 . 1 1 8 8 VAL CA C 13 60.824 0.041 . 1 . . . . A 8 VAL CA . 30495 1 65 . 1 1 8 8 VAL CB C 13 35.172 0.107 . 1 . . . . A 8 VAL CB . 30495 1 66 . 1 1 8 8 VAL CG1 C 13 22.851 0.087 . 1 . . . . A 8 VAL CG1 . 30495 1 67 . 1 1 8 8 VAL CG2 C 13 21.735 0.055 . 1 . . . . A 8 VAL CG2 . 30495 1 68 . 1 1 8 8 VAL N N 15 127.228 0.008 . 1 . . . . A 8 VAL N . 30495 1 69 . 1 1 9 9 ASN H H 1 9.254 0.001 . 1 . . . . A 9 ASN H . 30495 1 70 . 1 1 9 9 ASN HA H 1 4.636 0.020 . 1 . . . . A 9 ASN HA . 30495 1 71 . 1 1 9 9 ASN HB2 H 1 2.828 0.020 . 1 . . . . A 9 ASN HB2 . 30495 1 72 . 1 1 9 9 ASN HB3 H 1 2.581 0.020 . 1 . . . . A 9 ASN HB3 . 30495 1 73 . 1 1 9 9 ASN HD21 H 1 7.567 0.001 . 1 . . . . A 9 ASN HD21 . 30495 1 74 . 1 1 9 9 ASN HD22 H 1 6.792 0.020 . 1 . . . . A 9 ASN HD22 . 30495 1 75 . 1 1 9 9 ASN CA C 13 52.977 0.200 . 1 . . . . A 9 ASN CA . 30495 1 76 . 1 1 9 9 ASN CB C 13 36.630 0.038 . 1 . . . . A 9 ASN CB . 30495 1 77 . 1 1 9 9 ASN N N 15 129.098 0.014 . 1 . . . . A 9 ASN N . 30495 1 78 . 1 1 9 9 ASN ND2 N 15 111.866 0.013 . 1 . . . . A 9 ASN ND2 . 30495 1 79 . 1 1 10 10 PRO HA H 1 4.000 0.020 . 1 . . . . A 10 PRO HA . 30495 1 80 . 1 1 10 10 PRO HB2 H 1 2.291 0.020 . 1 . . . . A 10 PRO HB2 . 30495 1 81 . 1 1 10 10 PRO HB3 H 1 1.807 0.020 . 1 . . . . A 10 PRO HB3 . 30495 1 82 . 1 1 10 10 PRO HG2 H 1 1.941 0.020 . 1 . . . . A 10 PRO HG2 . 30495 1 83 . 1 1 10 10 PRO HG3 H 1 1.376 0.004 . 1 . . . . A 10 PRO HG3 . 30495 1 84 . 1 1 10 10 PRO HD2 H 1 3.565 0.020 . 1 . . . . A 10 PRO HD2 . 30495 1 85 . 1 1 10 10 PRO HD3 H 1 3.069 0.012 . 1 . . . . A 10 PRO HD3 . 30495 1 86 . 1 1 10 10 PRO CA C 13 64.873 0.062 . 1 . . . . A 10 PRO CA . 30495 1 87 . 1 1 10 10 PRO CB C 13 31.790 0.044 . 1 . . . . A 10 PRO CB . 30495 1 88 . 1 1 10 10 PRO CG C 13 27.461 0.055 . 1 . . . . A 10 PRO CG . 30495 1 89 . 1 1 10 10 PRO CD C 13 50.416 0.037 . 1 . . . . A 10 PRO CD . 30495 1 90 . 1 1 11 11 GLY H H 1 8.347 0.002 . 1 . . . . A 11 GLY H . 30495 1 91 . 1 1 11 11 GLY HA2 H 1 4.103 0.020 . 1 . . . . A 11 GLY HA2 . 30495 1 92 . 1 1 11 11 GLY HA3 H 1 3.804 0.020 . 1 . . . . A 11 GLY HA3 . 30495 1 93 . 1 1 11 11 GLY CA C 13 46.109 0.032 . 1 . . . . A 11 GLY CA . 30495 1 94 . 1 1 11 11 GLY N N 15 112.666 0.013 . 1 . . . . A 11 GLY N . 30495 1 95 . 1 1 12 12 GLU H H 1 7.747 0.001 . 1 . . . . A 12 GLU H . 30495 1 96 . 1 1 12 12 GLU HA H 1 4.558 0.020 . 1 . . . . A 12 GLU HA . 30495 1 97 . 1 1 12 12 GLU HB2 H 1 2.226 0.002 . 1 . . . . A 12 GLU HB2 . 30495 1 98 . 1 1 12 12 GLU HB3 H 1 2.016 0.002 . 1 . . . . A 12 GLU HB3 . 30495 1 99 . 1 1 12 12 GLU HG2 H 1 2.205 0.001 . 1 . . . . A 12 GLU HG2 . 30495 1 100 . 1 1 12 12 GLU HG3 H 1 2.205 0.001 . 1 . . . . A 12 GLU HG3 . 30495 1 101 . 1 1 12 12 GLU CA C 13 55.560 0.200 . 1 . . . . A 12 GLU CA . 30495 1 102 . 1 1 12 12 GLU CB C 13 31.453 0.006 . 1 . . . . A 12 GLU CB . 30495 1 103 . 1 1 12 12 GLU CG C 13 37.040 0.005 . 1 . . . . A 12 GLU CG . 30495 1 104 . 1 1 12 12 GLU N N 15 119.737 0.012 . 1 . . . . A 12 GLU N . 30495 1 105 . 1 1 13 13 GLU H H 1 8.159 0.001 . 1 . . . . A 13 GLU H . 30495 1 106 . 1 1 13 13 GLU HA H 1 5.413 0.020 . 1 . . . . A 13 GLU HA . 30495 1 107 . 1 1 13 13 GLU HB2 H 1 1.758 0.020 . 1 . . . . A 13 GLU HB2 . 30495 1 108 . 1 1 13 13 GLU HB3 H 1 1.758 0.020 . 1 . . . . A 13 GLU HB3 . 30495 1 109 . 1 1 13 13 GLU HG2 H 1 2.035 0.020 . 1 . . . . A 13 GLU HG2 . 30495 1 110 . 1 1 13 13 GLU HG3 H 1 2.035 0.020 . 1 . . . . A 13 GLU HG3 . 30495 1 111 . 1 1 13 13 GLU CA C 13 53.973 0.200 . 1 . . . . A 13 GLU CA . 30495 1 112 . 1 1 13 13 GLU CB C 13 33.923 0.200 . 1 . . . . A 13 GLU CB . 30495 1 113 . 1 1 13 13 GLU CG C 13 36.293 0.200 . 1 . . . . A 13 GLU CG . 30495 1 114 . 1 1 13 13 GLU N N 15 116.955 0.008 . 1 . . . . A 13 GLU N . 30495 1 115 . 1 1 14 14 TYR H H 1 8.812 0.003 . 1 . . . . A 14 TYR H . 30495 1 116 . 1 1 14 14 TYR HA H 1 4.635 0.020 . 1 . . . . A 14 TYR HA . 30495 1 117 . 1 1 14 14 TYR HB2 H 1 2.778 0.020 . 1 . . . . A 14 TYR HB2 . 30495 1 118 . 1 1 14 14 TYR HB3 H 1 2.340 0.020 . 1 . . . . A 14 TYR HB3 . 30495 1 119 . 1 1 14 14 TYR CA C 13 57.405 0.200 . 1 . . . . A 14 TYR CA . 30495 1 120 . 1 1 14 14 TYR CB C 13 42.965 0.011 . 1 . . . . A 14 TYR CB . 30495 1 121 . 1 1 14 14 TYR N N 15 124.087 0.029 . 1 . . . . A 14 TYR N . 30495 1 122 . 1 1 15 15 GLU H H 1 7.617 0.002 . 1 . . . . A 15 GLU H . 30495 1 123 . 1 1 15 15 GLU HA H 1 5.028 0.020 . 1 . . . . A 15 GLU HA . 30495 1 124 . 1 1 15 15 GLU HB2 H 1 1.654 0.020 . 1 . . . . A 15 GLU HB2 . 30495 1 125 . 1 1 15 15 GLU HB3 H 1 1.654 0.020 . 1 . . . . A 15 GLU HB3 . 30495 1 126 . 1 1 15 15 GLU HG2 H 1 1.945 0.020 . 1 . . . . A 15 GLU HG2 . 30495 1 127 . 1 1 15 15 GLU HG3 H 1 1.711 0.020 . 1 . . . . A 15 GLU HG3 . 30495 1 128 . 1 1 15 15 GLU CA C 13 54.741 0.200 . 1 . . . . A 15 GLU CA . 30495 1 129 . 1 1 15 15 GLU CB C 13 32.786 0.200 . 1 . . . . A 15 GLU CB . 30495 1 130 . 1 1 15 15 GLU CG C 13 37.572 0.074 . 1 . . . . A 15 GLU CG . 30495 1 131 . 1 1 15 15 GLU N N 15 127.359 0.024 . 1 . . . . A 15 GLU N . 30495 1 132 . 1 1 16 16 VAL H H 1 8.661 0.002 . 1 . . . . A 16 VAL H . 30495 1 133 . 1 1 16 16 VAL HA H 1 4.098 0.020 . 1 . . . . A 16 VAL HA . 30495 1 134 . 1 1 16 16 VAL HB H 1 1.754 0.005 . 1 . . . . A 16 VAL HB . 30495 1 135 . 1 1 16 16 VAL HG11 H 1 0.868 0.003 . 1 . . . . A 16 VAL HG11 . 30495 1 136 . 1 1 16 16 VAL HG12 H 1 0.868 0.003 . 1 . . . . A 16 VAL HG12 . 30495 1 137 . 1 1 16 16 VAL HG13 H 1 0.868 0.003 . 1 . . . . A 16 VAL HG13 . 30495 1 138 . 1 1 16 16 VAL HG21 H 1 0.778 0.001 . 1 . . . . A 16 VAL HG21 . 30495 1 139 . 1 1 16 16 VAL HG22 H 1 0.778 0.001 . 1 . . . . A 16 VAL HG22 . 30495 1 140 . 1 1 16 16 VAL HG23 H 1 0.778 0.001 . 1 . . . . A 16 VAL HG23 . 30495 1 141 . 1 1 16 16 VAL CA C 13 60.455 0.030 . 1 . . . . A 16 VAL CA . 30495 1 142 . 1 1 16 16 VAL CB C 13 34.768 0.120 . 1 . . . . A 16 VAL CB . 30495 1 143 . 1 1 16 16 VAL CG1 C 13 21.624 0.047 . 1 . . . . A 16 VAL CG1 . 30495 1 144 . 1 1 16 16 VAL CG2 C 13 20.797 0.046 . 1 . . . . A 16 VAL CG2 . 30495 1 145 . 1 1 16 16 VAL N N 15 123.889 0.021 . 1 . . . . A 16 VAL N . 30495 1 146 . 1 1 17 17 LYS H H 1 8.504 0.004 . 1 . . . . A 17 LYS H . 30495 1 147 . 1 1 17 17 LYS HA H 1 4.635 0.001 . 1 . . . . A 17 LYS HA . 30495 1 148 . 1 1 17 17 LYS HB2 H 1 1.651 0.003 . 1 . . . . A 17 LYS HB2 . 30495 1 149 . 1 1 17 17 LYS HB3 H 1 1.573 0.014 . 1 . . . . A 17 LYS HB3 . 30495 1 150 . 1 1 17 17 LYS HG2 H 1 1.214 0.006 . 1 . . . . A 17 LYS HG2 . 30495 1 151 . 1 1 17 17 LYS HG3 H 1 1.073 0.003 . 1 . . . . A 17 LYS HG3 . 30495 1 152 . 1 1 17 17 LYS HD2 H 1 1.603 0.020 . 1 . . . . A 17 LYS HD2 . 30495 1 153 . 1 1 17 17 LYS HD3 H 1 1.603 0.020 . 1 . . . . A 17 LYS HD3 . 30495 1 154 . 1 1 17 17 LYS HE2 H 1 2.886 0.020 . 1 . . . . A 17 LYS HE2 . 30495 1 155 . 1 1 17 17 LYS HE3 H 1 2.886 0.020 . 1 . . . . A 17 LYS HE3 . 30495 1 156 . 1 1 17 17 LYS CA C 13 55.752 0.057 . 1 . . . . A 17 LYS CA . 30495 1 157 . 1 1 17 17 LYS CB C 13 33.104 0.037 . 1 . . . . A 17 LYS CB . 30495 1 158 . 1 1 17 17 LYS CG C 13 25.163 0.081 . 1 . . . . A 17 LYS CG . 30495 1 159 . 1 1 17 17 LYS CD C 13 29.454 0.039 . 1 . . . . A 17 LYS CD . 30495 1 160 . 1 1 17 17 LYS CE C 13 41.687 0.200 . 1 . . . . A 17 LYS CE . 30495 1 161 . 1 1 17 17 LYS N N 15 127.402 0.068 . 1 . . . . A 17 LYS N . 30495 1 162 . 1 1 18 18 VAL H H 1 9.165 0.004 . 1 . . . . A 18 VAL H . 30495 1 163 . 1 1 18 18 VAL HA H 1 4.290 0.005 . 1 . . . . A 18 VAL HA . 30495 1 164 . 1 1 18 18 VAL HB H 1 2.096 0.002 . 1 . . . . A 18 VAL HB . 30495 1 165 . 1 1 18 18 VAL HG11 H 1 1.022 0.020 . 1 . . . . A 18 VAL HG11 . 30495 1 166 . 1 1 18 18 VAL HG12 H 1 1.022 0.020 . 1 . . . . A 18 VAL HG12 . 30495 1 167 . 1 1 18 18 VAL HG13 H 1 1.022 0.020 . 1 . . . . A 18 VAL HG13 . 30495 1 168 . 1 1 18 18 VAL HG21 H 1 0.877 0.001 . 1 . . . . A 18 VAL HG21 . 30495 1 169 . 1 1 18 18 VAL HG22 H 1 0.877 0.001 . 1 . . . . A 18 VAL HG22 . 30495 1 170 . 1 1 18 18 VAL HG23 H 1 0.877 0.001 . 1 . . . . A 18 VAL HG23 . 30495 1 171 . 1 1 18 18 VAL CA C 13 61.024 0.038 . 1 . . . . A 18 VAL CA . 30495 1 172 . 1 1 18 18 VAL CB C 13 32.705 0.102 . 1 . . . . A 18 VAL CB . 30495 1 173 . 1 1 18 18 VAL CG1 C 13 22.689 0.118 . 1 . . . . A 18 VAL CG1 . 30495 1 174 . 1 1 18 18 VAL CG2 C 13 21.284 0.075 . 1 . . . . A 18 VAL CG2 . 30495 1 175 . 1 1 18 18 VAL N N 15 126.347 0.043 . 1 . . . . A 18 VAL N . 30495 1 176 . 1 1 19 19 ASN H H 1 9.171 0.002 . 1 . . . . A 19 ASN H . 30495 1 177 . 1 1 19 19 ASN HA H 1 4.729 0.020 . 1 . . . . A 19 ASN HA . 30495 1 178 . 1 1 19 19 ASN HB2 H 1 2.767 0.020 . 1 . . . . A 19 ASN HB2 . 30495 1 179 . 1 1 19 19 ASN HB3 H 1 2.695 0.020 . 1 . . . . A 19 ASN HB3 . 30495 1 180 . 1 1 19 19 ASN HD21 H 1 7.623 0.001 . 1 . . . . A 19 ASN HD21 . 30495 1 181 . 1 1 19 19 ASN HD22 H 1 6.841 0.004 . 1 . . . . A 19 ASN HD22 . 30495 1 182 . 1 1 19 19 ASN CA C 13 53.035 0.200 . 1 . . . . A 19 ASN CA . 30495 1 183 . 1 1 19 19 ASN CB C 13 37.029 0.080 . 1 . . . . A 19 ASN CB . 30495 1 184 . 1 1 19 19 ASN N N 15 129.793 0.015 . 1 . . . . A 19 ASN N . 30495 1 185 . 1 1 19 19 ASN ND2 N 15 111.965 0.015 . 1 . . . . A 19 ASN ND2 . 30495 1 186 . 1 1 20 20 PRO HA H 1 4.000 0.020 . 1 . . . . A 20 PRO HA . 30495 1 187 . 1 1 20 20 PRO HB2 H 1 2.388 0.020 . 1 . . . . A 20 PRO HB2 . 30495 1 188 . 1 1 20 20 PRO HB3 H 1 1.773 0.020 . 1 . . . . A 20 PRO HB3 . 30495 1 189 . 1 1 20 20 PRO HG2 H 1 1.948 0.003 . 1 . . . . A 20 PRO HG2 . 30495 1 190 . 1 1 20 20 PRO HG3 H 1 1.367 0.020 . 1 . . . . A 20 PRO HG3 . 30495 1 191 . 1 1 20 20 PRO CA C 13 64.817 0.064 . 1 . . . . A 20 PRO CA . 30495 1 192 . 1 1 20 20 PRO CB C 13 31.982 0.131 . 1 . . . . A 20 PRO CB . 30495 1 193 . 1 1 20 20 PRO CG C 13 27.397 0.065 . 1 . . . . A 20 PRO CG . 30495 1 194 . 1 1 21 21 GLY H H 1 8.779 0.002 . 1 . . . . A 21 GLY H . 30495 1 195 . 1 1 21 21 GLY HA2 H 1 4.139 0.020 . 1 . . . . A 21 GLY HA2 . 30495 1 196 . 1 1 21 21 GLY HA3 H 1 3.798 0.020 . 1 . . . . A 21 GLY HA3 . 30495 1 197 . 1 1 21 21 GLY CA C 13 46.094 0.026 . 1 . . . . A 21 GLY CA . 30495 1 198 . 1 1 21 21 GLY N N 15 113.481 0.008 . 1 . . . . A 21 GLY N . 30495 1 199 . 1 1 22 22 THR H H 1 7.679 0.002 . 1 . . . . A 22 THR H . 30495 1 200 . 1 1 22 22 THR HA H 1 4.629 0.020 . 1 . . . . A 22 THR HA . 30495 1 201 . 1 1 22 22 THR HB H 1 4.291 0.020 . 1 . . . . A 22 THR HB . 30495 1 202 . 1 1 22 22 THR HG21 H 1 1.219 0.020 . 1 . . . . A 22 THR HG21 . 30495 1 203 . 1 1 22 22 THR HG22 H 1 1.219 0.020 . 1 . . . . A 22 THR HG22 . 30495 1 204 . 1 1 22 22 THR HG23 H 1 1.219 0.020 . 1 . . . . A 22 THR HG23 . 30495 1 205 . 1 1 22 22 THR CA C 13 62.441 0.200 . 1 . . . . A 22 THR CA . 30495 1 206 . 1 1 22 22 THR CB C 13 70.993 0.200 . 1 . . . . A 22 THR CB . 30495 1 207 . 1 1 22 22 THR CG2 C 13 21.971 0.200 . 1 . . . . A 22 THR CG2 . 30495 1 208 . 1 1 22 22 THR N N 15 114.153 0.008 . 1 . . . . A 22 THR N . 30495 1 209 . 1 1 23 23 ARG H H 1 8.628 0.004 . 1 . . . . A 23 ARG H . 30495 1 210 . 1 1 23 23 ARG HA H 1 5.074 0.002 . 1 . . . . A 23 ARG HA . 30495 1 211 . 1 1 23 23 ARG HB2 H 1 1.730 0.010 . 1 . . . . A 23 ARG HB2 . 30495 1 212 . 1 1 23 23 ARG HB3 H 1 1.730 0.010 . 1 . . . . A 23 ARG HB3 . 30495 1 213 . 1 1 23 23 ARG HG2 H 1 1.490 0.006 . 1 . . . . A 23 ARG HG2 . 30495 1 214 . 1 1 23 23 ARG HG3 H 1 1.490 0.006 . 1 . . . . A 23 ARG HG3 . 30495 1 215 . 1 1 23 23 ARG HD2 H 1 3.075 0.020 . 1 . . . . A 23 ARG HD2 . 30495 1 216 . 1 1 23 23 ARG HD3 H 1 3.075 0.020 . 1 . . . . A 23 ARG HD3 . 30495 1 217 . 1 1 23 23 ARG CA C 13 54.609 0.064 . 1 . . . . A 23 ARG CA . 30495 1 218 . 1 1 23 23 ARG CB C 13 33.101 0.045 . 1 . . . . A 23 ARG CB . 30495 1 219 . 1 1 23 23 ARG CG C 13 27.305 0.070 . 1 . . . . A 23 ARG CG . 30495 1 220 . 1 1 23 23 ARG CD C 13 43.664 0.029 . 1 . . . . A 23 ARG CD . 30495 1 221 . 1 1 23 23 ARG N N 15 122.625 0.028 . 1 . . . . A 23 ARG N . 30495 1 222 . 1 1 24 24 VAL H H 1 9.084 0.004 . 1 . . . . A 24 VAL H . 30495 1 223 . 1 1 24 24 VAL HA H 1 5.471 0.003 . 1 . . . . A 24 VAL HA . 30495 1 224 . 1 1 24 24 VAL HB H 1 1.946 0.008 . 1 . . . . A 24 VAL HB . 30495 1 225 . 1 1 24 24 VAL HG11 H 1 0.970 0.020 . 1 . . . . A 24 VAL HG11 . 30495 1 226 . 1 1 24 24 VAL HG12 H 1 0.970 0.020 . 1 . . . . A 24 VAL HG12 . 30495 1 227 . 1 1 24 24 VAL HG13 H 1 0.970 0.020 . 1 . . . . A 24 VAL HG13 . 30495 1 228 . 1 1 24 24 VAL HG21 H 1 0.974 0.001 . 1 . . . . A 24 VAL HG21 . 30495 1 229 . 1 1 24 24 VAL HG22 H 1 0.974 0.001 . 1 . . . . A 24 VAL HG22 . 30495 1 230 . 1 1 24 24 VAL HG23 H 1 0.974 0.001 . 1 . . . . A 24 VAL HG23 . 30495 1 231 . 1 1 24 24 VAL CA C 13 58.935 0.031 . 1 . . . . A 24 VAL CA . 30495 1 232 . 1 1 24 24 VAL CB C 13 35.827 0.098 . 1 . . . . A 24 VAL CB . 30495 1 233 . 1 1 24 24 VAL CG1 C 13 22.414 0.023 . 1 . . . . A 24 VAL CG1 . 30495 1 234 . 1 1 24 24 VAL CG2 C 13 21.471 0.055 . 1 . . . . A 24 VAL CG2 . 30495 1 235 . 1 1 24 24 VAL N N 15 117.889 0.028 . 1 . . . . A 24 VAL N . 30495 1 236 . 1 1 25 25 GLU H H 1 9.013 0.003 . 1 . . . . A 25 GLU H . 30495 1 237 . 1 1 25 25 GLU HA H 1 5.277 0.001 . 1 . . . . A 25 GLU HA . 30495 1 238 . 1 1 25 25 GLU HB2 H 1 1.996 0.018 . 1 . . . . A 25 GLU HB2 . 30495 1 239 . 1 1 25 25 GLU HB3 H 1 1.860 0.004 . 1 . . . . A 25 GLU HB3 . 30495 1 240 . 1 1 25 25 GLU HG2 H 1 2.091 0.006 . 1 . . . . A 25 GLU HG2 . 30495 1 241 . 1 1 25 25 GLU HG3 H 1 1.998 0.020 . 1 . . . . A 25 GLU HG3 . 30495 1 242 . 1 1 25 25 GLU CA C 13 54.878 0.058 . 1 . . . . A 25 GLU CA . 30495 1 243 . 1 1 25 25 GLU CB C 13 33.008 0.085 . 1 . . . . A 25 GLU CB . 30495 1 244 . 1 1 25 25 GLU CG C 13 37.040 0.046 . 1 . . . . A 25 GLU CG . 30495 1 245 . 1 1 25 25 GLU N N 15 124.883 0.043 . 1 . . . . A 25 GLU N . 30495 1 246 . 1 1 26 26 ILE H H 1 9.521 0.004 . 1 . . . . A 26 ILE H . 30495 1 247 . 1 1 26 26 ILE HA H 1 5.267 0.006 . 1 . . . . A 26 ILE HA . 30495 1 248 . 1 1 26 26 ILE HB H 1 1.900 0.020 . 1 . . . . A 26 ILE HB . 30495 1 249 . 1 1 26 26 ILE HG21 H 1 1.071 0.001 . 1 . . . . A 26 ILE HG21 . 30495 1 250 . 1 1 26 26 ILE HG22 H 1 1.071 0.001 . 1 . . . . A 26 ILE HG22 . 30495 1 251 . 1 1 26 26 ILE HG23 H 1 1.071 0.001 . 1 . . . . A 26 ILE HG23 . 30495 1 252 . 1 1 26 26 ILE HD11 H 1 0.875 0.020 . 1 . . . . A 26 ILE HD11 . 30495 1 253 . 1 1 26 26 ILE HD12 H 1 0.875 0.020 . 1 . . . . A 26 ILE HD12 . 30495 1 254 . 1 1 26 26 ILE HD13 H 1 0.875 0.020 . 1 . . . . A 26 ILE HD13 . 30495 1 255 . 1 1 26 26 ILE CA C 13 60.008 0.012 . 1 . . . . A 26 ILE CA . 30495 1 256 . 1 1 26 26 ILE CB C 13 41.733 0.107 . 1 . . . . A 26 ILE CB . 30495 1 257 . 1 1 26 26 ILE CG2 C 13 19.045 0.047 . 1 . . . . A 26 ILE CG2 . 30495 1 258 . 1 1 26 26 ILE CD1 C 13 14.782 0.042 . 1 . . . . A 26 ILE CD1 . 30495 1 259 . 1 1 26 26 ILE N N 15 126.747 0.050 . 1 . . . . A 26 ILE N . 30495 1 260 . 1 1 27 27 GLN H H 1 8.851 0.006 . 1 . . . . A 27 GLN H . 30495 1 261 . 1 1 27 27 GLN HA H 1 4.931 0.001 . 1 . . . . A 27 GLN HA . 30495 1 262 . 1 1 27 27 GLN HB2 H 1 1.999 0.004 . 1 . . . . A 27 GLN HB2 . 30495 1 263 . 1 1 27 27 GLN HB3 H 1 1.902 0.004 . 1 . . . . A 27 GLN HB3 . 30495 1 264 . 1 1 27 27 GLN HG2 H 1 2.193 0.020 . 1 . . . . A 27 GLN HG2 . 30495 1 265 . 1 1 27 27 GLN HG3 H 1 2.051 0.005 . 1 . . . . A 27 GLN HG3 . 30495 1 266 . 1 1 27 27 GLN HE21 H 1 7.264 0.005 . 1 . . . . A 27 GLN HE21 . 30495 1 267 . 1 1 27 27 GLN HE22 H 1 6.620 0.020 . 1 . . . . A 27 GLN HE22 . 30495 1 268 . 1 1 27 27 GLN CA C 13 54.917 0.045 . 1 . . . . A 27 GLN CA . 30495 1 269 . 1 1 27 27 GLN CB C 13 33.111 0.033 . 1 . . . . A 27 GLN CB . 30495 1 270 . 1 1 27 27 GLN CG C 13 34.178 0.023 . 1 . . . . A 27 GLN CG . 30495 1 271 . 1 1 27 27 GLN N N 15 124.818 0.035 . 1 . . . . A 27 GLN N . 30495 1 272 . 1 1 27 27 GLN NE2 N 15 110.593 0.022 . 1 . . . . A 27 GLN NE2 . 30495 1 273 . 1 1 28 28 ALA H H 1 9.778 0.002 . 1 . . . . A 28 ALA H . 30495 1 274 . 1 1 28 28 ALA HA H 1 4.831 0.020 . 1 . . . . A 28 ALA HA . 30495 1 275 . 1 1 28 28 ALA HB1 H 1 1.071 0.020 . 1 . . . . A 28 ALA HB1 . 30495 1 276 . 1 1 28 28 ALA HB2 H 1 1.071 0.020 . 1 . . . . A 28 ALA HB2 . 30495 1 277 . 1 1 28 28 ALA HB3 H 1 1.071 0.020 . 1 . . . . A 28 ALA HB3 . 30495 1 278 . 1 1 28 28 ALA CA C 13 50.633 0.200 . 1 . . . . A 28 ALA CA . 30495 1 279 . 1 1 28 28 ALA CB C 13 22.922 0.200 . 1 . . . . A 28 ALA CB . 30495 1 280 . 1 1 28 28 ALA N N 15 129.391 0.016 . 1 . . . . A 28 ALA N . 30495 1 281 . 1 1 29 29 LYS H H 1 7.795 0.002 . 1 . . . . A 29 LYS H . 30495 1 282 . 1 1 29 29 LYS HA H 1 4.434 0.020 . 1 . . . . A 29 LYS HA . 30495 1 283 . 1 1 29 29 LYS HB2 H 1 2.087 0.005 . 1 . . . . A 29 LYS HB2 . 30495 1 284 . 1 1 29 29 LYS HB3 H 1 1.756 0.020 . 1 . . . . A 29 LYS HB3 . 30495 1 285 . 1 1 29 29 LYS HG2 H 1 1.508 0.020 . 1 . . . . A 29 LYS HG2 . 30495 1 286 . 1 1 29 29 LYS HG3 H 1 1.329 0.020 . 1 . . . . A 29 LYS HG3 . 30495 1 287 . 1 1 29 29 LYS HD2 H 1 1.608 0.020 . 1 . . . . A 29 LYS HD2 . 30495 1 288 . 1 1 29 29 LYS HD3 H 1 1.608 0.020 . 1 . . . . A 29 LYS HD3 . 30495 1 289 . 1 1 29 29 LYS HE2 H 1 2.899 0.004 . 1 . . . . A 29 LYS HE2 . 30495 1 290 . 1 1 29 29 LYS HE3 H 1 2.899 0.004 . 1 . . . . A 29 LYS HE3 . 30495 1 291 . 1 1 29 29 LYS CA C 13 55.550 0.001 . 1 . . . . A 29 LYS CA . 30495 1 292 . 1 1 29 29 LYS CB C 13 31.794 0.049 . 1 . . . . A 29 LYS CB . 30495 1 293 . 1 1 29 29 LYS CG C 13 25.473 0.006 . 1 . . . . A 29 LYS CG . 30495 1 294 . 1 1 29 29 LYS CD C 13 28.945 0.200 . 1 . . . . A 29 LYS CD . 30495 1 295 . 1 1 29 29 LYS CE C 13 42.210 0.068 . 1 . . . . A 29 LYS CE . 30495 1 296 . 1 1 29 29 LYS N N 15 119.698 0.013 . 1 . . . . A 29 LYS N . 30495 1 297 . 1 1 30 30 GLY H H 1 7.121 0.004 . 1 . . . . A 30 GLY H . 30495 1 298 . 1 1 30 30 GLY HA2 H 1 4.197 0.020 . 1 . . . . A 30 GLY HA2 . 30495 1 299 . 1 1 30 30 GLY HA3 H 1 3.761 0.020 . 1 . . . . A 30 GLY HA3 . 30495 1 300 . 1 1 30 30 GLY CA C 13 44.560 0.016 . 1 . . . . A 30 GLY CA . 30495 1 301 . 1 1 30 30 GLY N N 15 106.253 0.015 . 1 . . . . A 30 GLY N . 30495 1 302 . 1 1 31 31 PRO HA H 1 4.442 0.020 . 1 . . . . A 31 PRO HA . 30495 1 303 . 1 1 31 31 PRO HB2 H 1 2.247 0.020 . 1 . . . . A 31 PRO HB2 . 30495 1 304 . 1 1 31 31 PRO HB3 H 1 1.853 0.020 . 1 . . . . A 31 PRO HB3 . 30495 1 305 . 1 1 31 31 PRO HG2 H 1 2.049 0.020 . 1 . . . . A 31 PRO HG2 . 30495 1 306 . 1 1 31 31 PRO HG3 H 1 2.049 0.020 . 1 . . . . A 31 PRO HG3 . 30495 1 307 . 1 1 31 31 PRO HD2 H 1 3.531 0.020 . 1 . . . . A 31 PRO HD2 . 30495 1 308 . 1 1 31 31 PRO HD3 H 1 3.531 0.020 . 1 . . . . A 31 PRO HD3 . 30495 1 309 . 1 1 31 31 PRO CA C 13 63.726 0.200 . 1 . . . . A 31 PRO CA . 30495 1 310 . 1 1 31 31 PRO CB C 13 31.818 0.012 . 1 . . . . A 31 PRO CB . 30495 1 311 . 1 1 31 31 PRO CG C 13 27.306 0.200 . 1 . . . . A 31 PRO CG . 30495 1 312 . 1 1 31 31 PRO CD C 13 49.081 0.200 . 1 . . . . A 31 PRO CD . 30495 1 313 . 1 1 32 32 ALA H H 1 7.842 0.002 . 1 . . . . A 32 ALA H . 30495 1 314 . 1 1 32 32 ALA HA H 1 5.177 0.020 . 1 . . . . A 32 ALA HA . 30495 1 315 . 1 1 32 32 ALA HB1 H 1 1.364 0.020 . 1 . . . . A 32 ALA HB1 . 30495 1 316 . 1 1 32 32 ALA HB2 H 1 1.364 0.020 . 1 . . . . A 32 ALA HB2 . 30495 1 317 . 1 1 32 32 ALA HB3 H 1 1.364 0.020 . 1 . . . . A 32 ALA HB3 . 30495 1 318 . 1 1 32 32 ALA CA C 13 51.166 0.200 . 1 . . . . A 32 ALA CA . 30495 1 319 . 1 1 32 32 ALA CB C 13 24.717 0.200 . 1 . . . . A 32 ALA CB . 30495 1 320 . 1 1 32 32 ALA N N 15 123.139 0.007 . 1 . . . . A 32 ALA N . 30495 1 321 . 1 1 33 33 GLU H H 1 8.508 0.003 . 1 . . . . A 33 GLU H . 30495 1 322 . 1 1 33 33 GLU HA H 1 5.123 0.020 . 1 . . . . A 33 GLU HA . 30495 1 323 . 1 1 33 33 GLU HB2 H 1 1.886 0.003 . 1 . . . . A 33 GLU HB2 . 30495 1 324 . 1 1 33 33 GLU HB3 H 1 1.886 0.003 . 1 . . . . A 33 GLU HB3 . 30495 1 325 . 1 1 33 33 GLU HG2 H 1 2.005 0.001 . 1 . . . . A 33 GLU HG2 . 30495 1 326 . 1 1 33 33 GLU HG3 H 1 2.005 0.001 . 1 . . . . A 33 GLU HG3 . 30495 1 327 . 1 1 33 33 GLU CA C 13 54.678 0.028 . 1 . . . . A 33 GLU CA . 30495 1 328 . 1 1 33 33 GLU CB C 13 34.900 0.028 . 1 . . . . A 33 GLU CB . 30495 1 329 . 1 1 33 33 GLU CG C 13 37.732 0.038 . 1 . . . . A 33 GLU CG . 30495 1 330 . 1 1 33 33 GLU N N 15 118.662 0.007 . 1 . . . . A 33 GLU N . 30495 1 331 . 1 1 34 34 PHE H H 1 8.868 0.001 . 1 . . . . A 34 PHE H . 30495 1 332 . 1 1 34 34 PHE HA H 1 5.123 0.020 . 1 . . . . A 34 PHE HA . 30495 1 333 . 1 1 34 34 PHE HB2 H 1 2.434 0.005 . 1 . . . . A 34 PHE HB2 . 30495 1 334 . 1 1 34 34 PHE HB3 H 1 2.336 0.016 . 1 . . . . A 34 PHE HB3 . 30495 1 335 . 1 1 34 34 PHE CA C 13 55.794 0.061 . 1 . . . . A 34 PHE CA . 30495 1 336 . 1 1 34 34 PHE CB C 13 42.353 0.038 . 1 . . . . A 34 PHE CB . 30495 1 337 . 1 1 34 34 PHE N N 15 123.521 0.009 . 1 . . . . A 34 PHE N . 30495 1 338 . 1 1 35 35 GLU H H 1 8.691 0.005 . 1 . . . . A 35 GLU H . 30495 1 339 . 1 1 35 35 GLU HA H 1 5.123 0.004 . 1 . . . . A 35 GLU HA . 30495 1 340 . 1 1 35 35 GLU HB2 H 1 1.886 0.003 . 1 . . . . A 35 GLU HB2 . 30495 1 341 . 1 1 35 35 GLU HB3 H 1 1.683 0.009 . 1 . . . . A 35 GLU HB3 . 30495 1 342 . 1 1 35 35 GLU HG2 H 1 2.069 0.014 . 1 . . . . A 35 GLU HG2 . 30495 1 343 . 1 1 35 35 GLU HG3 H 1 1.986 0.001 . 1 . . . . A 35 GLU HG3 . 30495 1 344 . 1 1 35 35 GLU CA C 13 54.831 0.031 . 1 . . . . A 35 GLU CA . 30495 1 345 . 1 1 35 35 GLU CB C 13 32.950 0.074 . 1 . . . . A 35 GLU CB . 30495 1 346 . 1 1 35 35 GLU CG C 13 36.248 0.092 . 1 . . . . A 35 GLU CG . 30495 1 347 . 1 1 35 35 GLU N N 15 126.091 0.025 . 1 . . . . A 35 GLU N . 30495 1 348 . 1 1 36 36 GLY H H 1 8.309 0.002 . 1 . . . . A 36 GLY H . 30495 1 349 . 1 1 36 36 GLY HA2 H 1 4.147 0.020 . 1 . . . . A 36 GLY HA2 . 30495 1 350 . 1 1 36 36 GLY HA3 H 1 3.655 0.020 . 1 . . . . A 36 GLY HA3 . 30495 1 351 . 1 1 36 36 GLY CA C 13 45.829 0.027 . 1 . . . . A 36 GLY CA . 30495 1 352 . 1 1 36 36 GLY N N 15 113.344 0.216 . 1 . . . . A 36 GLY N . 30495 1 353 . 1 1 37 37 GLY H H 1 9.428 0.002 . 1 . . . . A 37 GLY H . 30495 1 354 . 1 1 37 37 GLY HA2 H 1 4.036 0.020 . 1 . . . . A 37 GLY HA2 . 30495 1 355 . 1 1 37 37 GLY HA3 H 1 4.036 0.020 . 1 . . . . A 37 GLY HA3 . 30495 1 356 . 1 1 37 37 GLY CA C 13 47.160 0.050 . 1 . . . . A 37 GLY CA . 30495 1 357 . 1 1 37 37 GLY N N 15 112.359 0.003 . 1 . . . . A 37 GLY N . 30495 1 358 . 1 1 38 38 GLY H H 1 8.810 0.001 . 1 . . . . A 38 GLY H . 30495 1 359 . 1 1 38 38 GLY HA2 H 1 4.299 0.020 . 1 . . . . A 38 GLY HA2 . 30495 1 360 . 1 1 38 38 GLY HA3 H 1 3.709 0.020 . 1 . . . . A 38 GLY HA3 . 30495 1 361 . 1 1 38 38 GLY CA C 13 45.111 0.016 . 1 . . . . A 38 GLY CA . 30495 1 362 . 1 1 38 38 GLY N N 15 107.353 0.200 . 1 . . . . A 38 GLY N . 30495 1 363 . 1 1 39 39 THR H H 1 7.780 0.020 . 1 . . . . A 39 THR H . 30495 1 364 . 1 1 39 39 THR HA H 1 4.682 0.020 . 1 . . . . A 39 THR HA . 30495 1 365 . 1 1 39 39 THR HB H 1 4.246 0.020 . 1 . . . . A 39 THR HB . 30495 1 366 . 1 1 39 39 THR HG21 H 1 1.267 0.020 . 1 . . . . A 39 THR HG21 . 30495 1 367 . 1 1 39 39 THR HG22 H 1 1.267 0.020 . 1 . . . . A 39 THR HG22 . 30495 1 368 . 1 1 39 39 THR HG23 H 1 1.267 0.020 . 1 . . . . A 39 THR HG23 . 30495 1 369 . 1 1 39 39 THR CA C 13 61.302 0.200 . 1 . . . . A 39 THR CA . 30495 1 370 . 1 1 39 39 THR CB C 13 71.521 0.200 . 1 . . . . A 39 THR CB . 30495 1 371 . 1 1 39 39 THR CG2 C 13 21.279 0.200 . 1 . . . . A 39 THR CG2 . 30495 1 372 . 1 1 39 39 THR N N 15 115.713 0.007 . 1 . . . . A 39 THR N . 30495 1 373 . 1 1 40 40 ARG H H 1 8.418 0.004 . 1 . . . . A 40 ARG H . 30495 1 374 . 1 1 40 40 ARG HA H 1 5.316 0.020 . 1 . . . . A 40 ARG HA . 30495 1 375 . 1 1 40 40 ARG HB2 H 1 1.683 0.020 . 1 . . . . A 40 ARG HB2 . 30495 1 376 . 1 1 40 40 ARG HB3 H 1 1.683 0.020 . 1 . . . . A 40 ARG HB3 . 30495 1 377 . 1 1 40 40 ARG HG2 H 1 1.458 0.014 . 1 . . . . A 40 ARG HG2 . 30495 1 378 . 1 1 40 40 ARG HG3 H 1 1.367 0.014 . 1 . . . . A 40 ARG HG3 . 30495 1 379 . 1 1 40 40 ARG HD2 H 1 3.091 0.030 . 1 . . . . A 40 ARG HD2 . 30495 1 380 . 1 1 40 40 ARG HD3 H 1 3.091 0.030 . 1 . . . . A 40 ARG HD3 . 30495 1 381 . 1 1 40 40 ARG CA C 13 55.342 0.019 . 1 . . . . A 40 ARG CA . 30495 1 382 . 1 1 40 40 ARG CB C 13 32.879 0.065 . 1 . . . . A 40 ARG CB . 30495 1 383 . 1 1 40 40 ARG CG C 13 27.372 0.063 . 1 . . . . A 40 ARG CG . 30495 1 384 . 1 1 40 40 ARG CD C 13 43.585 0.014 . 1 . . . . A 40 ARG CD . 30495 1 385 . 1 1 40 40 ARG N N 15 125.058 0.026 . 1 . . . . A 40 ARG N . 30495 1 386 . 1 1 41 41 THR H H 1 9.003 0.003 . 1 . . . . A 41 THR H . 30495 1 387 . 1 1 41 41 THR HA H 1 4.635 0.020 . 1 . . . . A 41 THR HA . 30495 1 388 . 1 1 41 41 THR HB H 1 3.708 0.006 . 1 . . . . A 41 THR HB . 30495 1 389 . 1 1 41 41 THR HG21 H 1 0.973 0.020 . 1 . . . . A 41 THR HG21 . 30495 1 390 . 1 1 41 41 THR HG22 H 1 0.973 0.020 . 1 . . . . A 41 THR HG22 . 30495 1 391 . 1 1 41 41 THR HG23 H 1 0.973 0.020 . 1 . . . . A 41 THR HG23 . 30495 1 392 . 1 1 41 41 THR CA C 13 61.314 0.028 . 1 . . . . A 41 THR CA . 30495 1 393 . 1 1 41 41 THR CB C 13 71.397 0.037 . 1 . . . . A 41 THR CB . 30495 1 394 . 1 1 41 41 THR CG2 C 13 20.455 0.032 . 1 . . . . A 41 THR CG2 . 30495 1 395 . 1 1 41 41 THR N N 15 120.829 0.037 . 1 . . . . A 41 THR N . 30495 1 396 . 1 1 42 42 ARG H H 1 8.513 0.003 . 1 . . . . A 42 ARG H . 30495 1 397 . 1 1 42 42 ARG HA H 1 4.868 0.002 . 1 . . . . A 42 ARG HA . 30495 1 398 . 1 1 42 42 ARG HB2 H 1 1.819 0.004 . 1 . . . . A 42 ARG HB2 . 30495 1 399 . 1 1 42 42 ARG HB3 H 1 1.819 0.004 . 1 . . . . A 42 ARG HB3 . 30495 1 400 . 1 1 42 42 ARG HG2 H 1 1.704 0.020 . 1 . . . . A 42 ARG HG2 . 30495 1 401 . 1 1 42 42 ARG HG3 H 1 1.562 0.004 . 1 . . . . A 42 ARG HG3 . 30495 1 402 . 1 1 42 42 ARG HD2 H 1 3.170 0.004 . 1 . . . . A 42 ARG HD2 . 30495 1 403 . 1 1 42 42 ARG HD3 H 1 3.170 0.004 . 1 . . . . A 42 ARG HD3 . 30495 1 404 . 1 1 42 42 ARG CA C 13 55.878 0.042 . 1 . . . . A 42 ARG CA . 30495 1 405 . 1 1 42 42 ARG CB C 13 31.203 0.027 . 1 . . . . A 42 ARG CB . 30495 1 406 . 1 1 42 42 ARG CG C 13 27.974 0.040 . 1 . . . . A 42 ARG CG . 30495 1 407 . 1 1 42 42 ARG CD C 13 43.297 0.030 . 1 . . . . A 42 ARG CD . 30495 1 408 . 1 1 42 42 ARG N N 15 127.149 0.009 . 1 . . . . A 42 ARG N . 30495 1 409 . 1 1 43 43 LEU H H 1 8.693 0.003 . 1 . . . . A 43 LEU H . 30495 1 410 . 1 1 43 43 LEU HA H 1 4.657 0.017 . 1 . . . . A 43 LEU HA . 30495 1 411 . 1 1 43 43 LEU HB2 H 1 1.698 0.013 . 1 . . . . A 43 LEU HB2 . 30495 1 412 . 1 1 43 43 LEU HB3 H 1 1.561 0.003 . 1 . . . . A 43 LEU HB3 . 30495 1 413 . 1 1 43 43 LEU HG H 1 1.506 0.010 . 1 . . . . A 43 LEU HG . 30495 1 414 . 1 1 43 43 LEU HD11 H 1 0.778 0.001 . 1 . . . . A 43 LEU HD11 . 30495 1 415 . 1 1 43 43 LEU HD12 H 1 0.778 0.001 . 1 . . . . A 43 LEU HD12 . 30495 1 416 . 1 1 43 43 LEU HD13 H 1 0.778 0.001 . 1 . . . . A 43 LEU HD13 . 30495 1 417 . 1 1 43 43 LEU HD21 H 1 0.682 0.020 . 1 . . . . A 43 LEU HD21 . 30495 1 418 . 1 1 43 43 LEU HD22 H 1 0.682 0.020 . 1 . . . . A 43 LEU HD22 . 30495 1 419 . 1 1 43 43 LEU HD23 H 1 0.682 0.020 . 1 . . . . A 43 LEU HD23 . 30495 1 420 . 1 1 43 43 LEU CA C 13 53.644 0.055 . 1 . . . . A 43 LEU CA . 30495 1 421 . 1 1 43 43 LEU CB C 13 43.881 0.076 . 1 . . . . A 43 LEU CB . 30495 1 422 . 1 1 43 43 LEU CG C 13 27.222 0.090 . 1 . . . . A 43 LEU CG . 30495 1 423 . 1 1 43 43 LEU CD1 C 13 26.007 0.050 . 1 . . . . A 43 LEU CD1 . 30495 1 424 . 1 1 43 43 LEU CD2 C 13 23.451 0.051 . 1 . . . . A 43 LEU CD2 . 30495 1 425 . 1 1 43 43 LEU N N 15 124.444 0.031 . 1 . . . . A 43 LEU N . 30495 1 426 . 1 1 44 44 ASN H H 1 8.928 0.003 . 1 . . . . A 44 ASN H . 30495 1 427 . 1 1 44 44 ASN HA H 1 5.026 0.020 . 1 . . . . A 44 ASN HA . 30495 1 428 . 1 1 44 44 ASN HB2 H 1 2.777 0.020 . 1 . . . . A 44 ASN HB2 . 30495 1 429 . 1 1 44 44 ASN HB3 H 1 2.582 0.020 . 1 . . . . A 44 ASN HB3 . 30495 1 430 . 1 1 44 44 ASN HD21 H 1 7.824 0.001 . 1 . . . . A 44 ASN HD21 . 30495 1 431 . 1 1 44 44 ASN HD22 H 1 6.912 0.001 . 1 . . . . A 44 ASN HD22 . 30495 1 432 . 1 1 44 44 ASN CA C 13 50.948 0.024 . 1 . . . . A 44 ASN CA . 30495 1 433 . 1 1 44 44 ASN CB C 13 38.342 0.024 . 1 . . . . A 44 ASN CB . 30495 1 434 . 1 1 44 44 ASN N N 15 122.079 0.039 . 1 . . . . A 44 ASN N . 30495 1 435 . 1 1 44 44 ASN ND2 N 15 114.941 0.017 . 1 . . . . A 44 ASN ND2 . 30495 1 436 . 1 1 45 45 PRO HA H 1 4.147 0.020 . 1 . . . . A 45 PRO HA . 30495 1 437 . 1 1 45 45 PRO HB2 H 1 1.900 0.020 . 1 . . . . A 45 PRO HB2 . 30495 1 438 . 1 1 45 45 PRO HB3 H 1 1.900 0.020 . 1 . . . . A 45 PRO HB3 . 30495 1 439 . 1 1 45 45 PRO HG2 H 1 2.177 0.002 . 1 . . . . A 45 PRO HG2 . 30495 1 440 . 1 1 45 45 PRO HG3 H 1 1.537 0.004 . 1 . . . . A 45 PRO HG3 . 30495 1 441 . 1 1 45 45 PRO HD2 H 1 3.667 0.020 . 1 . . . . A 45 PRO HD2 . 30495 1 442 . 1 1 45 45 PRO HD3 H 1 3.562 0.020 . 1 . . . . A 45 PRO HD3 . 30495 1 443 . 1 1 45 45 PRO CA C 13 63.895 0.041 . 1 . . . . A 45 PRO CA . 30495 1 444 . 1 1 45 45 PRO CB C 13 31.377 0.039 . 1 . . . . A 45 PRO CB . 30495 1 445 . 1 1 45 45 PRO CG C 13 27.796 0.038 . 1 . . . . A 45 PRO CG . 30495 1 446 . 1 1 45 45 PRO CD C 13 50.323 0.074 . 1 . . . . A 45 PRO CD . 30495 1 447 . 1 1 46 46 GLY H H 1 8.825 0.002 . 1 . . . . A 46 GLY H . 30495 1 448 . 1 1 46 46 GLY HA2 H 1 4.239 0.020 . 1 . . . . A 46 GLY HA2 . 30495 1 449 . 1 1 46 46 GLY HA3 H 1 3.600 0.020 . 1 . . . . A 46 GLY HA3 . 30495 1 450 . 1 1 46 46 GLY CA C 13 45.603 0.013 . 1 . . . . A 46 GLY CA . 30495 1 451 . 1 1 46 46 GLY N N 15 112.024 0.021 . 1 . . . . A 46 GLY N . 30495 1 452 . 1 1 47 47 GLU H H 1 7.737 0.001 . 1 . . . . A 47 GLU H . 30495 1 453 . 1 1 47 47 GLU HA H 1 4.494 0.020 . 1 . . . . A 47 GLU HA . 30495 1 454 . 1 1 47 47 GLU HB2 H 1 2.142 0.020 . 1 . . . . A 47 GLU HB2 . 30495 1 455 . 1 1 47 47 GLU HB3 H 1 2.142 0.020 . 1 . . . . A 47 GLU HB3 . 30495 1 456 . 1 1 47 47 GLU HG2 H 1 2.201 0.020 . 1 . . . . A 47 GLU HG2 . 30495 1 457 . 1 1 47 47 GLU HG3 H 1 2.201 0.020 . 1 . . . . A 47 GLU HG3 . 30495 1 458 . 1 1 47 47 GLU CA C 13 55.855 0.200 . 1 . . . . A 47 GLU CA . 30495 1 459 . 1 1 47 47 GLU CB C 13 31.709 0.200 . 1 . . . . A 47 GLU CB . 30495 1 460 . 1 1 47 47 GLU CG C 13 36.846 0.200 . 1 . . . . A 47 GLU CG . 30495 1 461 . 1 1 47 47 GLU N N 15 121.082 0.014 . 1 . . . . A 47 GLU N . 30495 1 462 . 1 1 48 48 SER H H 1 8.581 0.001 . 1 . . . . A 48 SER H . 30495 1 463 . 1 1 48 48 SER HA H 1 5.072 0.020 . 1 . . . . A 48 SER HA . 30495 1 464 . 1 1 48 48 SER HB2 H 1 3.697 0.011 . 1 . . . . A 48 SER HB2 . 30495 1 465 . 1 1 48 48 SER HB3 H 1 3.614 0.003 . 1 . . . . A 48 SER HB3 . 30495 1 466 . 1 1 48 48 SER CA C 13 58.128 0.017 . 1 . . . . A 48 SER CA . 30495 1 467 . 1 1 48 48 SER CB C 13 64.677 0.012 . 1 . . . . A 48 SER CB . 30495 1 468 . 1 1 48 48 SER N N 15 118.362 0.007 . 1 . . . . A 48 SER N . 30495 1 469 . 1 1 49 49 TYR H H 1 9.157 0.002 . 1 . . . . A 49 TYR H . 30495 1 470 . 1 1 49 49 TYR HA H 1 4.529 0.020 . 1 . . . . A 49 TYR HA . 30495 1 471 . 1 1 49 49 TYR HB2 H 1 2.483 0.020 . 1 . . . . A 49 TYR HB2 . 30495 1 472 . 1 1 49 49 TYR HB3 H 1 2.483 0.020 . 1 . . . . A 49 TYR HB3 . 30495 1 473 . 1 1 49 49 TYR CA C 13 57.621 0.200 . 1 . . . . A 49 TYR CA . 30495 1 474 . 1 1 49 49 TYR CB C 13 41.597 0.200 . 1 . . . . A 49 TYR CB . 30495 1 475 . 1 1 49 49 TYR N N 15 126.922 0.014 . 1 . . . . A 49 TYR N . 30495 1 476 . 1 1 50 50 LYS H H 1 7.767 0.006 . 1 . . . . A 50 LYS H . 30495 1 477 . 1 1 50 50 LYS HA H 1 5.122 0.020 . 1 . . . . A 50 LYS HA . 30495 1 478 . 1 1 50 50 LYS HB2 H 1 1.608 0.020 . 1 . . . . A 50 LYS HB2 . 30495 1 479 . 1 1 50 50 LYS HB3 H 1 1.510 0.020 . 1 . . . . A 50 LYS HB3 . 30495 1 480 . 1 1 50 50 LYS HG2 H 1 1.268 0.020 . 1 . . . . A 50 LYS HG2 . 30495 1 481 . 1 1 50 50 LYS HG3 H 1 1.176 0.020 . 1 . . . . A 50 LYS HG3 . 30495 1 482 . 1 1 50 50 LYS HD2 H 1 1.519 0.020 . 1 . . . . A 50 LYS HD2 . 30495 1 483 . 1 1 50 50 LYS HD3 H 1 1.519 0.020 . 1 . . . . A 50 LYS HD3 . 30495 1 484 . 1 1 50 50 LYS HE2 H 1 2.832 0.003 . 1 . . . . A 50 LYS HE2 . 30495 1 485 . 1 1 50 50 LYS HE3 H 1 2.832 0.003 . 1 . . . . A 50 LYS HE3 . 30495 1 486 . 1 1 50 50 LYS CA C 13 54.927 0.200 . 1 . . . . A 50 LYS CA . 30495 1 487 . 1 1 50 50 LYS CB C 13 34.692 0.001 . 1 . . . . A 50 LYS CB . 30495 1 488 . 1 1 50 50 LYS CG C 13 25.364 0.047 . 1 . . . . A 50 LYS CG . 30495 1 489 . 1 1 50 50 LYS CD C 13 29.389 0.200 . 1 . . . . A 50 LYS CD . 30495 1 490 . 1 1 50 50 LYS CE C 13 41.933 0.009 . 1 . . . . A 50 LYS CE . 30495 1 491 . 1 1 50 50 LYS N N 15 126.358 0.015 . 1 . . . . A 50 LYS N . 30495 1 492 . 1 1 51 51 PHE H H 1 8.704 0.006 . 1 . . . . A 51 PHE H . 30495 1 493 . 1 1 51 51 PHE HA H 1 4.550 0.020 . 1 . . . . A 51 PHE HA . 30495 1 494 . 1 1 51 51 PHE HB2 H 1 2.775 0.020 . 1 . . . . A 51 PHE HB2 . 30495 1 495 . 1 1 51 51 PHE HB3 H 1 2.641 0.020 . 1 . . . . A 51 PHE HB3 . 30495 1 496 . 1 1 51 51 PHE CA C 13 57.370 0.200 . 1 . . . . A 51 PHE CA . 30495 1 497 . 1 1 51 51 PHE CB C 13 43.050 0.040 . 1 . . . . A 51 PHE CB . 30495 1 498 . 1 1 51 51 PHE N N 15 122.624 0.037 . 1 . . . . A 51 PHE N . 30495 1 499 . 1 1 52 52 GLU H H 1 7.719 0.002 . 1 . . . . A 52 GLU H . 30495 1 500 . 1 1 52 52 GLU HA H 1 4.826 0.001 . 1 . . . . A 52 GLU HA . 30495 1 501 . 1 1 52 52 GLU HB2 H 1 1.676 0.004 . 1 . . . . A 52 GLU HB2 . 30495 1 502 . 1 1 52 52 GLU HB3 H 1 1.676 0.004 . 1 . . . . A 52 GLU HB3 . 30495 1 503 . 1 1 52 52 GLU HG2 H 1 1.886 0.020 . 1 . . . . A 52 GLU HG2 . 30495 1 504 . 1 1 52 52 GLU HG3 H 1 1.886 0.020 . 1 . . . . A 52 GLU HG3 . 30495 1 505 . 1 1 52 52 GLU CA C 13 54.100 0.014 . 1 . . . . A 52 GLU CA . 30495 1 506 . 1 1 52 52 GLU CB C 13 32.888 0.008 . 1 . . . . A 52 GLU CB . 30495 1 507 . 1 1 52 52 GLU CG C 13 35.817 0.010 . 1 . . . . A 52 GLU CG . 30495 1 508 . 1 1 52 52 GLU N N 15 125.804 0.019 . 1 . . . . A 52 GLU N . 30495 1 509 . 1 1 53 53 ASN H H 1 8.032 0.003 . 1 . . . . A 53 ASN H . 30495 1 510 . 1 1 53 53 ASN HA H 1 4.784 0.020 . 1 . . . . A 53 ASN HA . 30495 1 511 . 1 1 53 53 ASN HB2 H 1 3.419 0.001 . 1 . . . . A 53 ASN HB2 . 30495 1 512 . 1 1 53 53 ASN HB3 H 1 2.297 0.020 . 1 . . . . A 53 ASN HB3 . 30495 1 513 . 1 1 53 53 ASN HD21 H 1 8.210 0.001 . 1 . . . . A 53 ASN HD21 . 30495 1 514 . 1 1 53 53 ASN HD22 H 1 6.805 0.020 . 1 . . . . A 53 ASN HD22 . 30495 1 515 . 1 1 53 53 ASN CA C 13 51.074 0.200 . 1 . . . . A 53 ASN CA . 30495 1 516 . 1 1 53 53 ASN CB C 13 38.485 0.046 . 1 . . . . A 53 ASN CB . 30495 1 517 . 1 1 53 53 ASN N N 15 118.793 0.018 . 1 . . . . A 53 ASN N . 30495 1 518 . 1 1 53 53 ASN ND2 N 15 111.753 0.013 . 1 . . . . A 53 ASN ND2 . 30495 1 519 . 1 1 54 54 LEU H H 1 8.733 0.002 . 1 . . . . A 54 LEU H . 30495 1 520 . 1 1 54 54 LEU HA H 1 4.634 0.020 . 1 . . . . A 54 LEU HA . 30495 1 521 . 1 1 54 54 LEU HB2 H 1 1.746 0.020 . 1 . . . . A 54 LEU HB2 . 30495 1 522 . 1 1 54 54 LEU HB3 H 1 1.563 0.020 . 1 . . . . A 54 LEU HB3 . 30495 1 523 . 1 1 54 54 LEU HG H 1 1.381 0.020 . 1 . . . . A 54 LEU HG . 30495 1 524 . 1 1 54 54 LEU HD11 H 1 0.829 0.020 . 1 . . . . A 54 LEU HD11 . 30495 1 525 . 1 1 54 54 LEU HD12 H 1 0.829 0.020 . 1 . . . . A 54 LEU HD12 . 30495 1 526 . 1 1 54 54 LEU HD13 H 1 0.829 0.020 . 1 . . . . A 54 LEU HD13 . 30495 1 527 . 1 1 54 54 LEU HD21 H 1 0.679 0.020 . 1 . . . . A 54 LEU HD21 . 30495 1 528 . 1 1 54 54 LEU HD22 H 1 0.679 0.020 . 1 . . . . A 54 LEU HD22 . 30495 1 529 . 1 1 54 54 LEU HD23 H 1 0.679 0.020 . 1 . . . . A 54 LEU HD23 . 30495 1 530 . 1 1 54 54 LEU CA C 13 54.097 0.027 . 1 . . . . A 54 LEU CA . 30495 1 531 . 1 1 54 54 LEU CB C 13 40.833 0.200 . 1 . . . . A 54 LEU CB . 30495 1 532 . 1 1 54 54 LEU CG C 13 27.079 0.006 . 1 . . . . A 54 LEU CG . 30495 1 533 . 1 1 54 54 LEU CD1 C 13 25.406 0.047 . 1 . . . . A 54 LEU CD1 . 30495 1 534 . 1 1 54 54 LEU CD2 C 13 22.345 0.054 . 1 . . . . A 54 LEU CD2 . 30495 1 535 . 1 1 54 54 LEU N N 15 126.989 0.026 . 1 . . . . A 54 LEU N . 30495 1 536 . 1 1 55 55 THR H H 1 8.206 0.001 . 1 . . . . A 55 THR H . 30495 1 537 . 1 1 55 55 THR HA H 1 4.812 0.005 . 1 . . . . A 55 THR HA . 30495 1 538 . 1 1 55 55 THR HB H 1 4.549 0.005 . 1 . . . . A 55 THR HB . 30495 1 539 . 1 1 55 55 THR HG21 H 1 1.318 0.020 . 1 . . . . A 55 THR HG21 . 30495 1 540 . 1 1 55 55 THR HG22 H 1 1.318 0.020 . 1 . . . . A 55 THR HG22 . 30495 1 541 . 1 1 55 55 THR HG23 H 1 1.318 0.020 . 1 . . . . A 55 THR HG23 . 30495 1 542 . 1 1 55 55 THR CA C 13 60.924 0.011 . 1 . . . . A 55 THR CA . 30495 1 543 . 1 1 55 55 THR CB C 13 70.660 0.007 . 1 . . . . A 55 THR CB . 30495 1 544 . 1 1 55 55 THR CG2 C 13 21.260 0.011 . 1 . . . . A 55 THR CG2 . 30495 1 545 . 1 1 55 55 THR N N 15 112.440 0.037 . 1 . . . . A 55 THR N . 30495 1 546 . 1 1 56 56 SER H H 1 8.208 0.002 . 1 . . . . A 56 SER H . 30495 1 547 . 1 1 56 56 SER HA H 1 4.491 0.020 . 1 . . . . A 56 SER HA . 30495 1 548 . 1 1 56 56 SER HB2 H 1 4.086 0.010 . 1 . . . . A 56 SER HB2 . 30495 1 549 . 1 1 56 56 SER HB3 H 1 3.929 0.029 . 1 . . . . A 56 SER HB3 . 30495 1 550 . 1 1 56 56 SER CA C 13 58.328 0.016 . 1 . . . . A 56 SER CA . 30495 1 551 . 1 1 56 56 SER CB C 13 64.220 0.032 . 1 . . . . A 56 SER CB . 30495 1 552 . 1 1 56 56 SER N N 15 110.220 0.009 . 1 . . . . A 56 SER N . 30495 1 553 . 1 1 57 57 GLN H H 1 8.157 0.003 . 1 . . . . A 57 GLN H . 30495 1 554 . 1 1 57 57 GLN HA H 1 4.977 0.020 . 1 . . . . A 57 GLN HA . 30495 1 555 . 1 1 57 57 GLN HB2 H 1 2.101 0.020 . 1 . . . . A 57 GLN HB2 . 30495 1 556 . 1 1 57 57 GLN HB3 H 1 1.850 0.020 . 1 . . . . A 57 GLN HB3 . 30495 1 557 . 1 1 57 57 GLN HG2 H 1 2.343 0.003 . 1 . . . . A 57 GLN HG2 . 30495 1 558 . 1 1 57 57 GLN HG3 H 1 2.343 0.003 . 1 . . . . A 57 GLN HG3 . 30495 1 559 . 1 1 57 57 GLN HE21 H 1 7.360 0.020 . 1 . . . . A 57 GLN HE21 . 30495 1 560 . 1 1 57 57 GLN HE22 H 1 6.779 0.020 . 1 . . . . A 57 GLN HE22 . 30495 1 561 . 1 1 57 57 GLN CA C 13 52.857 0.200 . 1 . . . . A 57 GLN CA . 30495 1 562 . 1 1 57 57 GLN CB C 13 30.953 0.001 . 1 . . . . A 57 GLN CB . 30495 1 563 . 1 1 57 57 GLN CG C 13 33.257 0.010 . 1 . . . . A 57 GLN CG . 30495 1 564 . 1 1 57 57 GLN N N 15 120.286 0.008 . 1 . . . . A 57 GLN N . 30495 1 565 . 1 1 57 57 GLN NE2 N 15 111.940 0.006 . 1 . . . . A 57 GLN NE2 . 30495 1 566 . 1 1 58 58 PRO HA H 1 4.394 0.020 . 1 . . . . A 58 PRO HA . 30495 1 567 . 1 1 58 58 PRO HB2 H 1 2.198 0.020 . 1 . . . . A 58 PRO HB2 . 30495 1 568 . 1 1 58 58 PRO HB3 H 1 1.708 0.020 . 1 . . . . A 58 PRO HB3 . 30495 1 569 . 1 1 58 58 PRO HG2 H 1 2.144 0.020 . 1 . . . . A 58 PRO HG2 . 30495 1 570 . 1 1 58 58 PRO HG3 H 1 2.008 0.020 . 1 . . . . A 58 PRO HG3 . 30495 1 571 . 1 1 58 58 PRO HD2 H 1 3.852 0.020 . 1 . . . . A 58 PRO HD2 . 30495 1 572 . 1 1 58 58 PRO HD3 H 1 3.212 0.020 . 1 . . . . A 58 PRO HD3 . 30495 1 573 . 1 1 58 58 PRO CA C 13 63.132 0.200 . 1 . . . . A 58 PRO CA . 30495 1 574 . 1 1 58 58 PRO CB C 13 31.963 0.010 . 1 . . . . A 58 PRO CB . 30495 1 575 . 1 1 58 58 PRO CG C 13 27.871 0.018 . 1 . . . . A 58 PRO CG . 30495 1 576 . 1 1 58 58 PRO CD C 13 50.712 0.061 . 1 . . . . A 58 PRO CD . 30495 1 577 . 1 1 59 59 LEU H H 1 8.123 0.006 . 1 . . . . A 59 LEU H . 30495 1 578 . 1 1 59 59 LEU HA H 1 4.737 0.020 . 1 . . . . A 59 LEU HA . 30495 1 579 . 1 1 59 59 LEU HB2 H 1 1.560 0.020 . 1 . . . . A 59 LEU HB2 . 30495 1 580 . 1 1 59 59 LEU HB3 H 1 1.560 0.020 . 1 . . . . A 59 LEU HB3 . 30495 1 581 . 1 1 59 59 LEU HG H 1 0.968 0.020 . 1 . . . . A 59 LEU HG . 30495 1 582 . 1 1 59 59 LEU HD11 H 1 1.025 0.020 . 1 . . . . A 59 LEU HD11 . 30495 1 583 . 1 1 59 59 LEU HD12 H 1 1.025 0.020 . 1 . . . . A 59 LEU HD12 . 30495 1 584 . 1 1 59 59 LEU HD13 H 1 1.025 0.020 . 1 . . . . A 59 LEU HD13 . 30495 1 585 . 1 1 59 59 LEU HD21 H 1 0.877 0.020 . 1 . . . . A 59 LEU HD21 . 30495 1 586 . 1 1 59 59 LEU HD22 H 1 0.877 0.020 . 1 . . . . A 59 LEU HD22 . 30495 1 587 . 1 1 59 59 LEU HD23 H 1 0.877 0.020 . 1 . . . . A 59 LEU HD23 . 30495 1 588 . 1 1 59 59 LEU CA C 13 53.310 0.200 . 1 . . . . A 59 LEU CA . 30495 1 589 . 1 1 59 59 LEU CB C 13 46.004 0.200 . 1 . . . . A 59 LEU CB . 30495 1 590 . 1 1 59 59 LEU CG C 13 26.183 0.200 . 1 . . . . A 59 LEU CG . 30495 1 591 . 1 1 59 59 LEU CD1 C 13 22.705 0.200 . 1 . . . . A 59 LEU CD1 . 30495 1 592 . 1 1 59 59 LEU CD2 C 13 21.285 0.200 . 1 . . . . A 59 LEU CD2 . 30495 1 593 . 1 1 59 59 LEU N N 15 123.017 0.026 . 1 . . . . A 59 LEU N . 30495 1 594 . 1 1 60 60 ARG H H 1 8.454 0.003 . 1 . . . . A 60 ARG H . 30495 1 595 . 1 1 60 60 ARG HA H 1 4.973 0.020 . 1 . . . . A 60 ARG HA . 30495 1 596 . 1 1 60 60 ARG HB2 H 1 1.549 0.008 . 1 . . . . A 60 ARG HB2 . 30495 1 597 . 1 1 60 60 ARG HB3 H 1 1.471 0.017 . 1 . . . . A 60 ARG HB3 . 30495 1 598 . 1 1 60 60 ARG HG2 H 1 1.461 0.020 . 1 . . . . A 60 ARG HG2 . 30495 1 599 . 1 1 60 60 ARG HG3 H 1 1.266 0.004 . 1 . . . . A 60 ARG HG3 . 30495 1 600 . 1 1 60 60 ARG HD2 H 1 3.016 0.004 . 1 . . . . A 60 ARG HD2 . 30495 1 601 . 1 1 60 60 ARG HD3 H 1 3.016 0.004 . 1 . . . . A 60 ARG HD3 . 30495 1 602 . 1 1 60 60 ARG CA C 13 55.059 0.018 . 1 . . . . A 60 ARG CA . 30495 1 603 . 1 1 60 60 ARG CB C 13 31.645 0.040 . 1 . . . . A 60 ARG CB . 30495 1 604 . 1 1 60 60 ARG CG C 13 27.647 0.066 . 1 . . . . A 60 ARG CG . 30495 1 605 . 1 1 60 60 ARG CD C 13 43.316 0.085 . 1 . . . . A 60 ARG CD . 30495 1 606 . 1 1 60 60 ARG N N 15 121.517 0.014 . 1 . . . . A 60 ARG N . 30495 1 607 . 1 1 61 61 ILE H H 1 8.838 0.003 . 1 . . . . A 61 ILE H . 30495 1 608 . 1 1 61 61 ILE HA H 1 4.585 0.001 . 1 . . . . A 61 ILE HA . 30495 1 609 . 1 1 61 61 ILE HB H 1 1.425 0.005 . 1 . . . . A 61 ILE HB . 30495 1 610 . 1 1 61 61 ILE HG21 H 1 0.293 0.001 . 1 . . . . A 61 ILE HG21 . 30495 1 611 . 1 1 61 61 ILE HG22 H 1 0.293 0.001 . 1 . . . . A 61 ILE HG22 . 30495 1 612 . 1 1 61 61 ILE HG23 H 1 0.293 0.001 . 1 . . . . A 61 ILE HG23 . 30495 1 613 . 1 1 61 61 ILE HD11 H 1 0.384 0.001 . 1 . . . . A 61 ILE HD11 . 30495 1 614 . 1 1 61 61 ILE HD12 H 1 0.384 0.001 . 1 . . . . A 61 ILE HD12 . 30495 1 615 . 1 1 61 61 ILE HD13 H 1 0.384 0.001 . 1 . . . . A 61 ILE HD13 . 30495 1 616 . 1 1 61 61 ILE CA C 13 58.653 0.047 . 1 . . . . A 61 ILE CA . 30495 1 617 . 1 1 61 61 ILE CB C 13 39.974 0.053 . 1 . . . . A 61 ILE CB . 30495 1 618 . 1 1 61 61 ILE CG2 C 13 18.328 0.066 . 1 . . . . A 61 ILE CG2 . 30495 1 619 . 1 1 61 61 ILE CD1 C 13 13.670 0.055 . 1 . . . . A 61 ILE CD1 . 30495 1 620 . 1 1 61 61 ILE N N 15 122.543 0.023 . 1 . . . . A 61 ILE N . 30495 1 621 . 1 1 62 62 ARG H H 1 8.719 0.005 . 1 . . . . A 62 ARG H . 30495 1 622 . 1 1 62 62 ARG HA H 1 4.873 0.005 . 1 . . . . A 62 ARG HA . 30495 1 623 . 1 1 62 62 ARG HB2 H 1 1.515 0.016 . 1 . . . . A 62 ARG HB2 . 30495 1 624 . 1 1 62 62 ARG HB3 H 1 1.515 0.016 . 1 . . . . A 62 ARG HB3 . 30495 1 625 . 1 1 62 62 ARG HG2 H 1 1.407 0.001 . 1 . . . . A 62 ARG HG2 . 30495 1 626 . 1 1 62 62 ARG HG3 H 1 1.318 0.005 . 1 . . . . A 62 ARG HG3 . 30495 1 627 . 1 1 62 62 ARG HD2 H 1 2.977 0.020 . 1 . . . . A 62 ARG HD2 . 30495 1 628 . 1 1 62 62 ARG HD3 H 1 2.977 0.020 . 1 . . . . A 62 ARG HD3 . 30495 1 629 . 1 1 62 62 ARG CA C 13 54.883 0.042 . 1 . . . . A 62 ARG CA . 30495 1 630 . 1 1 62 62 ARG CB C 13 33.080 0.056 . 1 . . . . A 62 ARG CB . 30495 1 631 . 1 1 62 62 ARG CG C 13 27.839 0.054 . 1 . . . . A 62 ARG CG . 30495 1 632 . 1 1 62 62 ARG CD C 13 43.344 0.034 . 1 . . . . A 62 ARG CD . 30495 1 633 . 1 1 62 62 ARG N N 15 123.128 0.019 . 1 . . . . A 62 ARG N . 30495 1 634 . 1 1 63 63 LEU H H 1 8.808 0.004 . 1 . . . . A 63 LEU H . 30495 1 635 . 1 1 63 63 LEU HA H 1 4.821 0.020 . 1 . . . . A 63 LEU HA . 30495 1 636 . 1 1 63 63 LEU HB2 H 1 1.263 0.020 . 1 . . . . A 63 LEU HB2 . 30495 1 637 . 1 1 63 63 LEU HB3 H 1 0.536 0.020 . 1 . . . . A 63 LEU HB3 . 30495 1 638 . 1 1 63 63 LEU HG H 1 1.412 0.020 . 1 . . . . A 63 LEU HG . 30495 1 639 . 1 1 63 63 LEU HD11 H 1 0.288 0.020 . 1 . . . . A 63 LEU HD11 . 30495 1 640 . 1 1 63 63 LEU HD12 H 1 0.288 0.020 . 1 . . . . A 63 LEU HD12 . 30495 1 641 . 1 1 63 63 LEU HD13 H 1 0.288 0.020 . 1 . . . . A 63 LEU HD13 . 30495 1 642 . 1 1 63 63 LEU HD21 H 1 0.583 0.020 . 1 . . . . A 63 LEU HD21 . 30495 1 643 . 1 1 63 63 LEU HD22 H 1 0.583 0.020 . 1 . . . . A 63 LEU HD22 . 30495 1 644 . 1 1 63 63 LEU HD23 H 1 0.583 0.020 . 1 . . . . A 63 LEU HD23 . 30495 1 645 . 1 1 63 63 LEU CA C 13 52.820 0.032 . 1 . . . . A 63 LEU CA . 30495 1 646 . 1 1 63 63 LEU CB C 13 42.840 0.044 . 1 . . . . A 63 LEU CB . 30495 1 647 . 1 1 63 63 LEU CG C 13 26.519 0.030 . 1 . . . . A 63 LEU CG . 30495 1 648 . 1 1 63 63 LEU CD1 C 13 24.840 0.028 . 1 . . . . A 63 LEU CD1 . 30495 1 649 . 1 1 63 63 LEU CD2 C 13 24.456 0.086 . 1 . . . . A 63 LEU CD2 . 30495 1 650 . 1 1 63 63 LEU N N 15 123.495 0.026 . 1 . . . . A 63 LEU N . 30495 1 651 . 1 1 64 64 ARG H H 1 8.796 0.001 . 1 . . . . A 64 ARG H . 30495 1 652 . 1 1 64 64 ARG HA H 1 5.010 0.020 . 1 . . . . A 64 ARG HA . 30495 1 653 . 1 1 64 64 ARG HB2 H 1 1.704 0.020 . 1 . . . . A 64 ARG HB2 . 30495 1 654 . 1 1 64 64 ARG HB3 H 1 1.561 0.020 . 1 . . . . A 64 ARG HB3 . 30495 1 655 . 1 1 64 64 ARG HG2 H 1 1.358 0.020 . 1 . . . . A 64 ARG HG2 . 30495 1 656 . 1 1 64 64 ARG HG3 H 1 1.272 0.020 . 1 . . . . A 64 ARG HG3 . 30495 1 657 . 1 1 64 64 ARG HD2 H 1 3.096 0.020 . 1 . . . . A 64 ARG HD2 . 30495 1 658 . 1 1 64 64 ARG HD3 H 1 3.096 0.020 . 1 . . . . A 64 ARG HD3 . 30495 1 659 . 1 1 64 64 ARG CA C 13 54.816 0.200 . 1 . . . . A 64 ARG CA . 30495 1 660 . 1 1 64 64 ARG CB C 13 34.047 0.040 . 1 . . . . A 64 ARG CB . 30495 1 661 . 1 1 64 64 ARG CG C 13 28.225 0.026 . 1 . . . . A 64 ARG CG . 30495 1 662 . 1 1 64 64 ARG CD C 13 43.160 0.200 . 1 . . . . A 64 ARG CD . 30495 1 663 . 1 1 64 64 ARG N N 15 119.981 0.019 . 1 . . . . A 64 ARG N . 30495 1 664 . 1 1 65 65 ASN H H 1 7.999 0.002 . 1 . . . . A 65 ASN H . 30495 1 665 . 1 1 65 65 ASN HA H 1 4.736 0.020 . 1 . . . . A 65 ASN HA . 30495 1 666 . 1 1 65 65 ASN HB2 H 1 3.319 0.003 . 1 . . . . A 65 ASN HB2 . 30495 1 667 . 1 1 65 65 ASN HB3 H 1 2.343 0.002 . 1 . . . . A 65 ASN HB3 . 30495 1 668 . 1 1 65 65 ASN HD21 H 1 7.850 0.020 . 1 . . . . A 65 ASN HD21 . 30495 1 669 . 1 1 65 65 ASN HD22 H 1 6.873 0.001 . 1 . . . . A 65 ASN HD22 . 30495 1 670 . 1 1 65 65 ASN CA C 13 52.656 0.033 . 1 . . . . A 65 ASN CA . 30495 1 671 . 1 1 65 65 ASN CB C 13 39.299 0.028 . 1 . . . . A 65 ASN CB . 30495 1 672 . 1 1 65 65 ASN N N 15 121.376 0.012 . 1 . . . . A 65 ASN N . 30495 1 673 . 1 1 65 65 ASN ND2 N 15 111.535 0.004 . 1 . . . . A 65 ASN ND2 . 30495 1 674 . 1 1 66 66 LEU H H 1 8.153 0.006 . 1 . . . . A 66 LEU H . 30495 1 675 . 1 1 66 66 LEU HA H 1 4.585 0.020 . 1 . . . . A 66 LEU HA . 30495 1 676 . 1 1 66 66 LEU HB2 H 1 1.710 0.020 . 1 . . . . A 66 LEU HB2 . 30495 1 677 . 1 1 66 66 LEU HB3 H 1 1.224 0.020 . 1 . . . . A 66 LEU HB3 . 30495 1 678 . 1 1 66 66 LEU HG H 1 1.425 0.020 . 1 . . . . A 66 LEU HG . 30495 1 679 . 1 1 66 66 LEU HD11 H 1 0.733 0.020 . 1 . . . . A 66 LEU HD11 . 30495 1 680 . 1 1 66 66 LEU HD12 H 1 0.733 0.020 . 1 . . . . A 66 LEU HD12 . 30495 1 681 . 1 1 66 66 LEU HD13 H 1 0.733 0.020 . 1 . . . . A 66 LEU HD13 . 30495 1 682 . 1 1 66 66 LEU HD21 H 1 0.686 0.020 . 1 . . . . A 66 LEU HD21 . 30495 1 683 . 1 1 66 66 LEU HD22 H 1 0.686 0.020 . 1 . . . . A 66 LEU HD22 . 30495 1 684 . 1 1 66 66 LEU HD23 H 1 0.686 0.020 . 1 . . . . A 66 LEU HD23 . 30495 1 685 . 1 1 66 66 LEU CA C 13 54.437 0.200 . 1 . . . . A 66 LEU CA . 30495 1 686 . 1 1 66 66 LEU CB C 13 41.808 0.008 . 1 . . . . A 66 LEU CB . 30495 1 687 . 1 1 66 66 LEU CG C 13 27.204 0.200 . 1 . . . . A 66 LEU CG . 30495 1 688 . 1 1 66 66 LEU CD1 C 13 25.726 0.200 . 1 . . . . A 66 LEU CD1 . 30495 1 689 . 1 1 66 66 LEU CD2 C 13 22.071 0.200 . 1 . . . . A 66 LEU CD2 . 30495 1 690 . 1 1 66 66 LEU N N 15 127.357 0.040 . 1 . . . . A 66 LEU N . 30495 1 691 . 1 1 67 67 SER H H 1 8.881 0.001 . 1 . . . . A 67 SER H . 30495 1 692 . 1 1 67 67 SER HA H 1 4.640 0.001 . 1 . . . . A 67 SER HA . 30495 1 693 . 1 1 67 67 SER HB2 H 1 4.194 0.001 . 1 . . . . A 67 SER HB2 . 30495 1 694 . 1 1 67 67 SER HB3 H 1 4.050 0.001 . 1 . . . . A 67 SER HB3 . 30495 1 695 . 1 1 67 67 SER CA C 13 57.159 0.028 . 1 . . . . A 67 SER CA . 30495 1 696 . 1 1 67 67 SER CB C 13 65.632 0.026 . 1 . . . . A 67 SER CB . 30495 1 697 . 1 1 67 67 SER N N 15 118.483 0.022 . 1 . . . . A 67 SER N . 30495 1 698 . 1 1 68 68 ASP H H 1 8.323 0.002 . 1 . . . . A 68 ASP H . 30495 1 699 . 1 1 68 68 ASP HA H 1 4.641 0.020 . 1 . . . . A 68 ASP HA . 30495 1 700 . 1 1 68 68 ASP HB2 H 1 2.828 0.020 . 1 . . . . A 68 ASP HB2 . 30495 1 701 . 1 1 68 68 ASP HB3 H 1 2.684 0.020 . 1 . . . . A 68 ASP HB3 . 30495 1 702 . 1 1 68 68 ASP CA C 13 53.830 0.200 . 1 . . . . A 68 ASP CA . 30495 1 703 . 1 1 68 68 ASP CB C 13 40.942 0.018 . 1 . . . . A 68 ASP CB . 30495 1 704 . 1 1 68 68 ASP N N 15 116.914 0.007 . 1 . . . . A 68 ASP N . 30495 1 705 . 1 1 69 69 THR H H 1 7.885 0.002 . 1 . . . . A 69 THR H . 30495 1 706 . 1 1 69 69 THR HA H 1 4.863 0.020 . 1 . . . . A 69 THR HA . 30495 1 707 . 1 1 69 69 THR HB H 1 4.239 0.020 . 1 . . . . A 69 THR HB . 30495 1 708 . 1 1 69 69 THR HG21 H 1 1.171 0.020 . 1 . . . . A 69 THR HG21 . 30495 1 709 . 1 1 69 69 THR HG22 H 1 1.171 0.020 . 1 . . . . A 69 THR HG22 . 30495 1 710 . 1 1 69 69 THR HG23 H 1 1.171 0.020 . 1 . . . . A 69 THR HG23 . 30495 1 711 . 1 1 69 69 THR CA C 13 58.872 0.200 . 1 . . . . A 69 THR CA . 30495 1 712 . 1 1 69 69 THR CB C 13 70.749 0.200 . 1 . . . . A 69 THR CB . 30495 1 713 . 1 1 69 69 THR CG2 C 13 20.958 0.200 . 1 . . . . A 69 THR CG2 . 30495 1 714 . 1 1 69 69 THR N N 15 112.909 0.012 . 1 . . . . A 69 THR N . 30495 1 715 . 1 1 70 70 PRO HA H 1 4.398 0.020 . 1 . . . . A 70 PRO HA . 30495 1 716 . 1 1 70 70 PRO HB2 H 1 2.193 0.020 . 1 . . . . A 70 PRO HB2 . 30495 1 717 . 1 1 70 70 PRO HB3 H 1 1.702 0.020 . 1 . . . . A 70 PRO HB3 . 30495 1 718 . 1 1 70 70 PRO HG2 H 1 2.118 0.020 . 1 . . . . A 70 PRO HG2 . 30495 1 719 . 1 1 70 70 PRO HG3 H 1 1.976 0.001 . 1 . . . . A 70 PRO HG3 . 30495 1 720 . 1 1 70 70 PRO HD2 H 1 3.819 0.001 . 1 . . . . A 70 PRO HD2 . 30495 1 721 . 1 1 70 70 PRO HD3 H 1 3.669 0.004 . 1 . . . . A 70 PRO HD3 . 30495 1 722 . 1 1 70 70 PRO CA C 13 63.906 0.200 . 1 . . . . A 70 PRO CA . 30495 1 723 . 1 1 70 70 PRO CB C 13 31.679 0.046 . 1 . . . . A 70 PRO CB . 30495 1 724 . 1 1 70 70 PRO CG C 13 28.354 0.200 . 1 . . . . A 70 PRO CG . 30495 1 725 . 1 1 70 70 PRO CD C 13 51.051 0.042 . 1 . . . . A 70 PRO CD . 30495 1 726 . 1 1 71 71 ILE H H 1 7.841 0.003 . 1 . . . . A 71 ILE H . 30495 1 727 . 1 1 71 71 ILE HA H 1 4.737 0.004 . 1 . . . . A 71 ILE HA . 30495 1 728 . 1 1 71 71 ILE HB H 1 1.365 0.020 . 1 . . . . A 71 ILE HB . 30495 1 729 . 1 1 71 71 ILE HG21 H 1 0.636 0.020 . 1 . . . . A 71 ILE HG21 . 30495 1 730 . 1 1 71 71 ILE HG22 H 1 0.636 0.020 . 1 . . . . A 71 ILE HG22 . 30495 1 731 . 1 1 71 71 ILE HG23 H 1 0.636 0.020 . 1 . . . . A 71 ILE HG23 . 30495 1 732 . 1 1 71 71 ILE HD11 H 1 0.389 0.020 . 1 . . . . A 71 ILE HD11 . 30495 1 733 . 1 1 71 71 ILE HD12 H 1 0.389 0.020 . 1 . . . . A 71 ILE HD12 . 30495 1 734 . 1 1 71 71 ILE HD13 H 1 0.389 0.020 . 1 . . . . A 71 ILE HD13 . 30495 1 735 . 1 1 71 71 ILE CA C 13 58.799 0.023 . 1 . . . . A 71 ILE CA . 30495 1 736 . 1 1 71 71 ILE CB C 13 43.145 0.200 . 1 . . . . A 71 ILE CB . 30495 1 737 . 1 1 71 71 ILE CG2 C 13 17.597 0.200 . 1 . . . . A 71 ILE CG2 . 30495 1 738 . 1 1 71 71 ILE CD1 C 13 14.318 0.200 . 1 . . . . A 71 ILE CD1 . 30495 1 739 . 1 1 71 71 ILE N N 15 117.666 0.014 . 1 . . . . A 71 ILE N . 30495 1 740 . 1 1 72 72 GLU H H 1 7.712 0.002 . 1 . . . . A 72 GLU H . 30495 1 741 . 1 1 72 72 GLU HA H 1 5.025 0.020 . 1 . . . . A 72 GLU HA . 30495 1 742 . 1 1 72 72 GLU HB2 H 1 1.785 0.020 . 1 . . . . A 72 GLU HB2 . 30495 1 743 . 1 1 72 72 GLU HB3 H 1 1.785 0.020 . 1 . . . . A 72 GLU HB3 . 30495 1 744 . 1 1 72 72 GLU HG2 H 1 2.047 0.020 . 1 . . . . A 72 GLU HG2 . 30495 1 745 . 1 1 72 72 GLU HG3 H 1 1.856 0.020 . 1 . . . . A 72 GLU HG3 . 30495 1 746 . 1 1 72 72 GLU CA C 13 54.992 0.200 . 1 . . . . A 72 GLU CA . 30495 1 747 . 1 1 72 72 GLU CB C 13 32.877 0.200 . 1 . . . . A 72 GLU CB . 30495 1 748 . 1 1 72 72 GLU CG C 13 37.686 0.017 . 1 . . . . A 72 GLU CG . 30495 1 749 . 1 1 72 72 GLU N N 15 122.715 0.015 . 1 . . . . A 72 GLU N . 30495 1 750 . 1 1 73 73 PHE H H 1 9.251 0.003 . 1 . . . . A 73 PHE H . 30495 1 751 . 1 1 73 73 PHE HA H 1 5.127 0.001 . 1 . . . . A 73 PHE HA . 30495 1 752 . 1 1 73 73 PHE HB2 H 1 2.733 0.002 . 1 . . . . A 73 PHE HB2 . 30495 1 753 . 1 1 73 73 PHE HB3 H 1 2.519 0.010 . 1 . . . . A 73 PHE HB3 . 30495 1 754 . 1 1 73 73 PHE CA C 13 56.711 0.006 . 1 . . . . A 73 PHE CA . 30495 1 755 . 1 1 73 73 PHE CB C 13 41.985 0.055 . 1 . . . . A 73 PHE CB . 30495 1 756 . 1 1 73 73 PHE N N 15 122.799 0.035 . 1 . . . . A 73 PHE N . 30495 1 757 . 1 1 74 74 ARG H H 1 8.953 0.002 . 1 . . . . A 74 ARG H . 30495 1 758 . 1 1 74 74 ARG HA H 1 5.072 0.005 . 1 . . . . A 74 ARG HA . 30495 1 759 . 1 1 74 74 ARG HB2 H 1 1.902 0.001 . 1 . . . . A 74 ARG HB2 . 30495 1 760 . 1 1 74 74 ARG HB3 H 1 1.744 0.009 . 1 . . . . A 74 ARG HB3 . 30495 1 761 . 1 1 74 74 ARG HG2 H 1 1.562 0.005 . 1 . . . . A 74 ARG HG2 . 30495 1 762 . 1 1 74 74 ARG HG3 H 1 1.365 0.001 . 1 . . . . A 74 ARG HG3 . 30495 1 763 . 1 1 74 74 ARG HD2 H 1 3.104 0.020 . 1 . . . . A 74 ARG HD2 . 30495 1 764 . 1 1 74 74 ARG HD3 H 1 3.104 0.020 . 1 . . . . A 74 ARG HD3 . 30495 1 765 . 1 1 74 74 ARG CA C 13 55.025 0.048 . 1 . . . . A 74 ARG CA . 30495 1 766 . 1 1 74 74 ARG CB C 13 32.713 0.129 . 1 . . . . A 74 ARG CB . 30495 1 767 . 1 1 74 74 ARG CG C 13 27.387 0.114 . 1 . . . . A 74 ARG CG . 30495 1 768 . 1 1 74 74 ARG CD C 13 43.618 0.049 . 1 . . . . A 74 ARG CD . 30495 1 769 . 1 1 74 74 ARG N N 15 121.608 0.021 . 1 . . . . A 74 ARG N . 30495 1 770 . 1 1 75 75 ILE H H 1 9.243 0.008 . 1 . . . . A 75 ILE H . 30495 1 771 . 1 1 75 75 ILE HA H 1 4.825 0.020 . 1 . . . . A 75 ILE HA . 30495 1 772 . 1 1 75 75 ILE HB H 1 1.901 0.020 . 1 . . . . A 75 ILE HB . 30495 1 773 . 1 1 75 75 ILE HG21 H 1 0.825 0.005 . 1 . . . . A 75 ILE HG21 . 30495 1 774 . 1 1 75 75 ILE HG22 H 1 0.825 0.005 . 1 . . . . A 75 ILE HG22 . 30495 1 775 . 1 1 75 75 ILE HG23 H 1 0.825 0.005 . 1 . . . . A 75 ILE HG23 . 30495 1 776 . 1 1 75 75 ILE HD11 H 1 0.729 0.020 . 1 . . . . A 75 ILE HD11 . 30495 1 777 . 1 1 75 75 ILE HD12 H 1 0.729 0.020 . 1 . . . . A 75 ILE HD12 . 30495 1 778 . 1 1 75 75 ILE HD13 H 1 0.729 0.020 . 1 . . . . A 75 ILE HD13 . 30495 1 779 . 1 1 75 75 ILE CA C 13 60.950 0.200 . 1 . . . . A 75 ILE CA . 30495 1 780 . 1 1 75 75 ILE CB C 13 40.523 0.015 . 1 . . . . A 75 ILE CB . 30495 1 781 . 1 1 75 75 ILE CG2 C 13 18.279 0.078 . 1 . . . . A 75 ILE CG2 . 30495 1 782 . 1 1 75 75 ILE CD1 C 13 15.281 0.050 . 1 . . . . A 75 ILE CD1 . 30495 1 783 . 1 1 75 75 ILE N N 15 126.931 0.044 . 1 . . . . A 75 ILE N . 30495 1 784 . 1 1 76 76 ARG H H 1 9.339 0.005 . 1 . . . . A 76 ARG H . 30495 1 785 . 1 1 76 76 ARG HA H 1 5.314 0.004 . 1 . . . . A 76 ARG HA . 30495 1 786 . 1 1 76 76 ARG HB2 H 1 1.896 0.020 . 1 . . . . A 76 ARG HB2 . 30495 1 787 . 1 1 76 76 ARG HB3 H 1 1.805 0.020 . 1 . . . . A 76 ARG HB3 . 30495 1 788 . 1 1 76 76 ARG HG2 H 1 1.610 0.020 . 1 . . . . A 76 ARG HG2 . 30495 1 789 . 1 1 76 76 ARG HG3 H 1 1.513 0.020 . 1 . . . . A 76 ARG HG3 . 30495 1 790 . 1 1 76 76 ARG HD2 H 1 3.144 0.020 . 1 . . . . A 76 ARG HD2 . 30495 1 791 . 1 1 76 76 ARG HD3 H 1 3.144 0.020 . 1 . . . . A 76 ARG HD3 . 30495 1 792 . 1 1 76 76 ARG CA C 13 55.187 0.057 . 1 . . . . A 76 ARG CA . 30495 1 793 . 1 1 76 76 ARG CB C 13 33.276 0.024 . 1 . . . . A 76 ARG CB . 30495 1 794 . 1 1 76 76 ARG CG C 13 28.364 0.219 . 1 . . . . A 76 ARG CG . 30495 1 795 . 1 1 76 76 ARG CD C 13 43.543 0.200 . 1 . . . . A 76 ARG CD . 30495 1 796 . 1 1 76 76 ARG N N 15 129.118 0.031 . 1 . . . . A 76 ARG N . 30495 1 797 . 1 1 77 77 GLU H H 1 8.877 0.012 . 1 . . . . A 77 GLU H . 30495 1 798 . 1 1 77 77 GLU HA H 1 5.121 0.005 . 1 . . . . A 77 GLU HA . 30495 1 799 . 1 1 77 77 GLU HB2 H 1 2.144 0.020 . 1 . . . . A 77 GLU HB2 . 30495 1 800 . 1 1 77 77 GLU HB3 H 1 1.944 0.005 . 1 . . . . A 77 GLU HB3 . 30495 1 801 . 1 1 77 77 GLU HG2 H 1 2.189 0.005 . 1 . . . . A 77 GLU HG2 . 30495 1 802 . 1 1 77 77 GLU HG3 H 1 2.189 0.005 . 1 . . . . A 77 GLU HG3 . 30495 1 803 . 1 1 77 77 GLU CA C 13 55.382 0.083 . 1 . . . . A 77 GLU CA . 30495 1 804 . 1 1 77 77 GLU CB C 13 33.346 0.043 . 1 . . . . A 77 GLU CB . 30495 1 805 . 1 1 77 77 GLU CG C 13 37.060 0.143 . 1 . . . . A 77 GLU CG . 30495 1 806 . 1 1 77 77 GLU N N 15 125.236 0.023 . 1 . . . . A 77 GLU N . 30495 1 807 . 1 1 78 78 GLU H H 1 8.682 0.003 . 1 . . . . A 78 GLU H . 30495 1 808 . 1 1 78 78 GLU HA H 1 4.390 0.020 . 1 . . . . A 78 GLU HA . 30495 1 809 . 1 1 78 78 GLU HB2 H 1 2.090 0.020 . 1 . . . . A 78 GLU HB2 . 30495 1 810 . 1 1 78 78 GLU HB3 H 1 1.904 0.020 . 1 . . . . A 78 GLU HB3 . 30495 1 811 . 1 1 78 78 GLU HG2 H 1 2.155 0.020 . 1 . . . . A 78 GLU HG2 . 30495 1 812 . 1 1 78 78 GLU HG3 H 1 2.155 0.020 . 1 . . . . A 78 GLU HG3 . 30495 1 813 . 1 1 78 78 GLU CA C 13 57.947 0.005 . 1 . . . . A 78 GLU CA . 30495 1 814 . 1 1 78 78 GLU CB C 13 32.639 0.015 . 1 . . . . A 78 GLU CB . 30495 1 815 . 1 1 78 78 GLU CG C 13 36.821 0.023 . 1 . . . . A 78 GLU CG . 30495 1 816 . 1 1 78 78 GLU N N 15 127.995 0.010 . 1 . . . . A 78 GLU N . 30495 1 stop_ save_