data_4934 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4934 _Entry.Title ; Structure and functionality of a designed p53 dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-12-21 _Entry.Accession_date 2000-12-21 _Entry.Last_release_date 2001-01-23 _Entry.Original_release_date 2001-01-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Davison . S. . 4934 2 X. Nie . . . 4934 3 W. Ma . . . 4934 4 Y. Lin . . . 4934 5 C. Kay . . . 4934 6 S. Benchimol . . . 4934 7 Cheryl Arrowsmith . H. . 4934 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4934 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 95 4934 '15N chemical shifts' 37 4934 '1H chemical shifts' 228 4934 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 . . 2001-01-23 2000-12-21 original author . 4934 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4934 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure and functionality of a designed p53 dimer' _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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.Entry_ID _Citation_author.Citation_ID 1 T. Davison . S. . 4934 1 2 X. Nie . . . 4934 1 3 W. Ma . . . 4934 1 4 Y. Lin . . . 4934 1 5 C. Kay . . . 4934 1 6 S. Benchimol . . . 4934 1 7 Cheryl Arrowsmith . H. . 4934 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cell cycle arrest' 4934 1 oligomerization 4934 1 'p53 dimer' 4934 1 'transcriptional transactivation' 4934 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p53 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p53 _Assembly.Entry_ID 4934 _Assembly.ID 1 _Assembly.Name 'p53 dimer' _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_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 4934 1 stop_ 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 'p53 subunit 1' 1 $p53_monomer . . . native . . 1 . . 4934 1 2 'p53 subunit 2' 1 $p53_monomer . . . native . . 1 . . 4934 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1PET . . . . . ; Residue Met 340 replaced by Gln Residue Leu 344 replaced by Arg ; 4934 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID p53 abbreviation 4934 1 'p53 dimer' system 4934 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p53_monomer _Entity.Sf_category entity _Entity.Sf_framecode p53_monomer _Entity.Entry_ID 4934 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p53 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DGEYFTLQIRGRERFEQFRE RNEALELKDAQAG ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1HS5 . "Nmr Solution Structure Of Designed P53 Dimer" . . . . . 100.00 34 100.00 100.00 5.27e-13 . . . . 4934 1 2 no PDB 3Q01 . "An Induced Fit Mechanism Regulates P53 Dna Binding Kinetics To Confer Sequence Specificity" . . . . . 100.00 233 100.00 100.00 9.77e-13 . . . . 4934 1 3 no PDB 3Q05 . "An Induced Fit Mechanism Regulates P53 Dna Binding Kinetics To Confer Sequence Specificity" . . . . . 96.97 234 100.00 100.00 5.53e-12 . . . . 4934 1 4 no PDB 3Q06 . "An Induced Fit Mechanism Regulates P53 Dna Binding Kinetics To Confer Sequence Specificity" . . . . . 93.94 231 100.00 100.00 2.61e-11 . . . . 4934 1 5 no PDB 3TS8 . "Crystal Structure Of A Multidomain Human P53 Tetramer Bound To The Natural Cdkn1a(P21) P53-Response Element" . . . . . 96.97 234 100.00 100.00 5.53e-12 . . . . 4934 1 6 no PDB 4MZR . "Crystal Structure Of A Polypeptide P53 Mutant Bound To Dna" . . . . . 96.97 237 100.00 100.00 1.28e-11 . . . . 4934 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID p53 abbreviation 4934 1 p53 common 4934 1 stop_ 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 . ASP . 4934 1 2 . GLY . 4934 1 3 . GLU . 4934 1 4 . TYR . 4934 1 5 . PHE . 4934 1 6 . THR . 4934 1 7 . LEU . 4934 1 8 . GLN . 4934 1 9 . ILE . 4934 1 10 . ARG . 4934 1 11 . GLY . 4934 1 12 . ARG . 4934 1 13 . GLU . 4934 1 14 . ARG . 4934 1 15 . PHE . 4934 1 16 . GLU . 4934 1 17 . GLN . 4934 1 18 . PHE . 4934 1 19 . ARG . 4934 1 20 . GLU . 4934 1 21 . ARG . 4934 1 22 . ASN . 4934 1 23 . GLU . 4934 1 24 . ALA . 4934 1 25 . LEU . 4934 1 26 . GLU . 4934 1 27 . LEU . 4934 1 28 . LYS . 4934 1 29 . ASP . 4934 1 30 . ALA . 4934 1 31 . GLN . 4934 1 32 . ALA . 4934 1 33 . GLY . 4934 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 . ASP 1 1 4934 1 . GLY 2 2 4934 1 . GLU 3 3 4934 1 . TYR 4 4 4934 1 . PHE 5 5 4934 1 . THR 6 6 4934 1 . LEU 7 7 4934 1 . GLN 8 8 4934 1 . ILE 9 9 4934 1 . ARG 10 10 4934 1 . GLY 11 11 4934 1 . ARG 12 12 4934 1 . GLU 13 13 4934 1 . ARG 14 14 4934 1 . PHE 15 15 4934 1 . GLU 16 16 4934 1 . GLN 17 17 4934 1 . PHE 18 18 4934 1 . ARG 19 19 4934 1 . GLU 20 20 4934 1 . ARG 21 21 4934 1 . ASN 22 22 4934 1 . GLU 23 23 4934 1 . ALA 24 24 4934 1 . LEU 25 25 4934 1 . GLU 26 26 4934 1 . LEU 27 27 4934 1 . LYS 28 28 4934 1 . ASP 29 29 4934 1 . ALA 30 30 4934 1 . GLN 31 31 4934 1 . ALA 32 32 4934 1 . GLY 33 33 4934 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 4934 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $p53_monomer . 9606 . . 'Homo sapien' human . . Eukaryota Metazoa Homo sapien . . . . . . . . . . . . . . . . . . . . . 4934 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 4934 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $p53_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4934 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4934 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 p53 '[U-15N; U-13C]' . . 1 $p53_monomer . . . 1.85 2.1 mM . . . . 4934 1 2 D2O . . . . . . . 10 . . % . . . . 4934 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4934 _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' 0.125 0.01 M 4934 1 pH 7.0 0.1 n/a 4934 1 temperature 298 1 K 4934 1 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 4934 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4934 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4934 _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 Varian 'Unity Plus' . 500 . . . 4934 1 2 NMR_spectrometer_2 Varian 'Unity Plus' . 600 . . . 4934 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 4934 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4934 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4934 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4934 1 4 (HB)CBCA(CO)NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4934 1 5 N15-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4934 1 6 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4934 1 7 CCC-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4934 1 8 13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4934 1 9 '15N TOCSY HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4934 1 10 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4934 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4934 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4934 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4934 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4934 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name (HB)CBCA(CO)NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4934 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name N15-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4934 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4934 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CCC-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4934 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4934 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N TOCSY HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4934 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4934 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4934 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4934 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4934 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4934 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4934 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.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 ASP H H 1 8.29 .03 . 1 . . . . . . . . 4934 1 2 . 1 1 1 1 ASP HA H 1 4.62 .05 . 1 . . . . . . . . 4934 1 3 . 1 1 1 1 ASP HB2 H 1 2.72 .05 . 1 . . . . . . . . 4934 1 4 . 1 1 1 1 ASP HB3 H 1 2.72 .05 . 1 . . . . . . . . 4934 1 5 . 1 1 1 1 ASP CA C 13 54.1 .1 . 1 . . . . . . . . 4934 1 6 . 1 1 1 1 ASP CB C 13 41.1 .1 . 1 . . . . . . . . 4934 1 7 . 1 1 1 1 ASP N N 15 121.53 .06 . 1 . . . . . . . . 4934 1 8 . 1 1 2 2 GLY H H 1 8.23 .03 . 1 . . . . . . . . 4934 1 9 . 1 1 2 2 GLY HA2 H 1 3.85 .05 . 1 . . . . . . . . 4934 1 10 . 1 1 2 2 GLY HA3 H 1 3.97 .05 . 1 . . . . . . . . 4934 1 11 . 1 1 2 2 GLY CA C 13 44.8 .1 . 1 . . . . . . . . 4934 1 12 . 1 1 2 2 GLY N N 15 109.23 .06 . 1 . . . . . . . . 4934 1 13 . 1 1 3 3 GLU H H 1 8.03 .03 . 1 . . . . . . . . 4934 1 14 . 1 1 3 3 GLU HA H 1 4.25 .05 . 1 . . . . . . . . 4934 1 15 . 1 1 3 3 GLU HB2 H 1 1.89 .05 . 1 . . . . . . . . 4934 1 16 . 1 1 3 3 GLU HB3 H 1 1.89 .05 . 1 . . . . . . . . 4934 1 17 . 1 1 3 3 GLU HG2 H 1 2.01 .05 . 1 . . . . . . . . 4934 1 18 . 1 1 3 3 GLU HG3 H 1 2.18 .05 . 1 . . . . . . . . 4934 1 19 . 1 1 3 3 GLU CA C 13 55.8 .1 . 1 . . . . . . . . 4934 1 20 . 1 1 3 3 GLU CB C 13 30.6 .1 . 1 . . . . . . . . 4934 1 21 . 1 1 3 3 GLU CG C 13 36.1 .1 . 1 . . . . . . . . 4934 1 22 . 1 1 3 3 GLU N N 15 120.9 .06 . 1 . . . . . . . . 4934 1 23 . 1 1 4 4 TYR H H 1 7.93 .03 . 1 . . . . . . . . 4934 1 24 . 1 1 4 4 TYR HA H 1 5.09 .05 . 1 . . . . . . . . 4934 1 25 . 1 1 4 4 TYR HB2 H 1 2.65 .05 . 1 . . . . . . . . 4934 1 26 . 1 1 4 4 TYR HB3 H 1 2.65 .05 . 1 . . . . . . . . 4934 1 27 . 1 1 4 4 TYR HD1 H 1 6.9 .05 . 1 . . . . . . . . 4934 1 28 . 1 1 4 4 TYR HD2 H 1 6.9 .05 . 1 . . . . . . . . 4934 1 29 . 1 1 4 4 TYR HE1 H 1 6.79 .05 . 1 . . . . . . . . 4934 1 30 . 1 1 4 4 TYR HE2 H 1 6.79 .05 . 1 . . . . . . . . 4934 1 31 . 1 1 4 4 TYR CA C 13 56.9 .1 . 1 . . . . . . . . 4934 1 32 . 1 1 4 4 TYR CB C 13 40.7 .1 . 1 . . . . . . . . 4934 1 33 . 1 1 4 4 TYR N N 15 120.08 .06 . 1 . . . . . . . . 4934 1 34 . 1 1 5 5 PHE H H 1 9.29 .03 . 1 . . . . . . . . 4934 1 35 . 1 1 5 5 PHE HA H 1 4.41 .05 . 1 . . . . . . . . 4934 1 36 . 1 1 5 5 PHE HB2 H 1 1.9 .05 . 1 . . . . . . . . 4934 1 37 . 1 1 5 5 PHE HB3 H 1 2.1 .05 . 1 . . . . . . . . 4934 1 38 . 1 1 5 5 PHE HD1 H 1 6.79 .05 . 1 . . . . . . . . 4934 1 39 . 1 1 5 5 PHE HD2 H 1 6.79 .05 . 1 . . . . . . . . 4934 1 40 . 1 1 5 5 PHE HE1 H 1 7.04 .05 . 1 . . . . . . . . 4934 1 41 . 1 1 5 5 PHE HE2 H 1 7.04 .05 . 1 . . . . . . . . 4934 1 42 . 1 1 5 5 PHE HZ H 1 7.16 .05 . 1 . . . . . . . . 4934 1 43 . 1 1 5 5 PHE CA C 13 56.4 .1 . 1 . . . . . . . . 4934 1 44 . 1 1 5 5 PHE CB C 13 40.7 .1 . 1 . . . . . . . . 4934 1 45 . 1 1 5 5 PHE N N 15 121.58 .06 . 1 . . . . . . . . 4934 1 46 . 1 1 6 6 THR H H 1 8.45 .03 . 1 . . . . . . . . 4934 1 47 . 1 1 6 6 THR HA H 1 5.12 .05 . 1 . . . . . . . . 4934 1 48 . 1 1 6 6 THR HB H 1 3.97 .05 . 1 . . . . . . . . 4934 1 49 . 1 1 6 6 THR HG21 H 1 1.13 .05 . 1 . . . . . . . . 4934 1 50 . 1 1 6 6 THR HG22 H 1 1.13 .05 . 1 . . . . . . . . 4934 1 51 . 1 1 6 6 THR HG23 H 1 1.13 .05 . 1 . . . . . . . . 4934 1 52 . 1 1 6 6 THR CA C 13 61.1 .1 . 1 . . . . . . . . 4934 1 53 . 1 1 6 6 THR CB C 13 70.4 .1 . 1 . . . . . . . . 4934 1 54 . 1 1 6 6 THR CG2 C 13 22.4 .1 . 1 . . . . . . . . 4934 1 55 . 1 1 6 6 THR N N 15 115.19 .06 . 1 . . . . . . . . 4934 1 56 . 1 1 7 7 LEU H H 1 9.03 .03 . 1 . . . . . . . . 4934 1 57 . 1 1 7 7 LEU HA H 1 4.9 .05 . 1 . . . . . . . . 4934 1 58 . 1 1 7 7 LEU HB2 H 1 1.49 .05 . 1 . . . . . . . . 4934 1 59 . 1 1 7 7 LEU HB3 H 1 1.93 .05 . 1 . . . . . . . . 4934 1 60 . 1 1 7 7 LEU HG H 1 1.55 .05 . 1 . . . . . . . . 4934 1 61 . 1 1 7 7 LEU HD11 H 1 1.01 .05 . 1 . . . . . . . . 4934 1 62 . 1 1 7 7 LEU HD12 H 1 1.01 .05 . 1 . . . . . . . . 4934 1 63 . 1 1 7 7 LEU HD13 H 1 1.01 .05 . 1 . . . . . . . . 4934 1 64 . 1 1 7 7 LEU HD21 H 1 0.72 .05 . 1 . . . . . . . . 4934 1 65 . 1 1 7 7 LEU HD22 H 1 0.72 .05 . 1 . . . . . . . . 4934 1 66 . 1 1 7 7 LEU HD23 H 1 0.72 .05 . 1 . . . . . . . . 4934 1 67 . 1 1 7 7 LEU CA C 13 53.0 .1 . 1 . . . . . . . . 4934 1 68 . 1 1 7 7 LEU CB C 13 46.9 .1 . 1 . . . . . . . . 4934 1 69 . 1 1 7 7 LEU CG C 13 26.9 .1 . 1 . . . . . . . . 4934 1 70 . 1 1 7 7 LEU CD1 C 13 23.5 .1 . 1 . . . . . . . . 4934 1 71 . 1 1 7 7 LEU CD2 C 13 26.5 .1 . 1 . . . . . . . . 4934 1 72 . 1 1 7 7 LEU N N 15 127.18 .06 . 1 . . . . . . . . 4934 1 73 . 1 1 8 8 GLN H H 1 8.69 .03 . 1 . . . . . . . . 4934 1 74 . 1 1 8 8 GLN HA H 1 5.05 .05 . 1 . . . . . . . . 4934 1 75 . 1 1 8 8 GLN HB2 H 1 1.9 .05 . 1 . . . . . . . . 4934 1 76 . 1 1 8 8 GLN HB3 H 1 2.0 .05 . 1 . . . . . . . . 4934 1 77 . 1 1 8 8 GLN HG2 H 1 2.22 .05 . 1 . . . . . . . . 4934 1 78 . 1 1 8 8 GLN HG3 H 1 2.22 .05 . 1 . . . . . . . . 4934 1 79 . 1 1 8 8 GLN HE21 H 1 6.64 .03 . 2 . . . . . . . . 4934 1 80 . 1 1 8 8 GLN HE22 H 1 7.25 .03 . 2 . . . . . . . . 4934 1 81 . 1 1 8 8 GLN CA C 13 54.9 .1 . 1 . . . . . . . . 4934 1 82 . 1 1 8 8 GLN CB C 13 29.4 .1 . 1 . . . . . . . . 4934 1 83 . 1 1 8 8 GLN CG C 13 33.8 .1 . 1 . . . . . . . . 4934 1 84 . 1 1 8 8 GLN N N 15 125.61 .06 . 1 . . . . . . . . 4934 1 85 . 1 1 8 8 GLN NE2 N 15 111.61 .06 . 1 . . . . . . . . 4934 1 86 . 1 1 9 9 ILE H H 1 9.4 .03 . 1 . . . . . . . . 4934 1 87 . 1 1 9 9 ILE HA H 1 4.4 .05 . 1 . . . . . . . . 4934 1 88 . 1 1 9 9 ILE HB H 1 1.81 .05 . 1 . . . . . . . . 4934 1 89 . 1 1 9 9 ILE HG12 H 1 1.4 .05 . 1 . . . . . . . . 4934 1 90 . 1 1 9 9 ILE HG13 H 1 1.0 .05 . 1 . . . . . . . . 4934 1 91 . 1 1 9 9 ILE HG21 H 1 0.86 .05 . 1 . . . . . . . . 4934 1 92 . 1 1 9 9 ILE HG22 H 1 0.86 .05 . 1 . . . . . . . . 4934 1 93 . 1 1 9 9 ILE HG23 H 1 0.86 .05 . 1 . . . . . . . . 4934 1 94 . 1 1 9 9 ILE HD11 H 1 0.71 .05 . 1 . . . . . . . . 4934 1 95 . 1 1 9 9 ILE HD12 H 1 0.71 .05 . 1 . . . . . . . . 4934 1 96 . 1 1 9 9 ILE HD13 H 1 0.71 .05 . 1 . . . . . . . . 4934 1 97 . 1 1 9 9 ILE CA C 13 59.5 .1 . 1 . . . . . . . . 4934 1 98 . 1 1 9 9 ILE CB C 13 41.3 .1 . 1 . . . . . . . . 4934 1 99 . 1 1 9 9 ILE CG1 C 13 27.3 .1 . 1 . . . . . . . . 4934 1 100 . 1 1 9 9 ILE CG2 C 13 17.9 .1 . 1 . . . . . . . . 4934 1 101 . 1 1 9 9 ILE CD1 C 13 14.4 .1 . 1 . . . . . . . . 4934 1 102 . 1 1 9 9 ILE N N 15 126.93 .06 . 1 . . . . . . . . 4934 1 103 . 1 1 10 10 ARG H H 1 9.8 .03 . 1 . . . . . . . . 4934 1 104 . 1 1 10 10 ARG HA H 1 4.25 .05 . 1 . . . . . . . . 4934 1 105 . 1 1 10 10 ARG HB2 H 1 1.49 .05 . 1 . . . . . . . . 4934 1 106 . 1 1 10 10 ARG HB3 H 1 1.81 .05 . 1 . . . . . . . . 4934 1 107 . 1 1 10 10 ARG HG2 H 1 0.97 .05 . 1 . . . . . . . . 4934 1 108 . 1 1 10 10 ARG HG3 H 1 1.26 .05 . 1 . . . . . . . . 4934 1 109 . 1 1 10 10 ARG HD2 H 1 3.09 .05 . 1 . . . . . . . . 4934 1 110 . 1 1 10 10 ARG HD3 H 1 3.09 .05 . 1 . . . . . . . . 4934 1 111 . 1 1 10 10 ARG CA C 13 55.7 .1 . 1 . . . . . . . . 4934 1 112 . 1 1 10 10 ARG CB C 13 31.0 .1 . 1 . . . . . . . . 4934 1 113 . 1 1 10 10 ARG CG C 13 26.9 .1 . 1 . . . . . . . . 4934 1 114 . 1 1 10 10 ARG CD C 13 43.4 .1 . 1 . . . . . . . . 4934 1 115 . 1 1 10 10 ARG N N 15 130.77 .06 . 1 . . . . . . . . 4934 1 116 . 1 1 11 11 GLY H H 1 8.7 .03 . 1 . . . . . . . . 4934 1 117 . 1 1 11 11 GLY HA2 H 1 3.84 .05 . 1 . . . . . . . . 4934 1 118 . 1 1 11 11 GLY HA3 H 1 4.68 .05 . 1 . . . . . . . . 4934 1 119 . 1 1 11 11 GLY CA C 13 44.0 .1 . 1 . . . . . . . . 4934 1 120 . 1 1 11 11 GLY N N 15 115.27 .06 . 1 . . . . . . . . 4934 1 121 . 1 1 12 12 ARG H H 1 8.94 .03 . 1 . . . . . . . . 4934 1 122 . 1 1 12 12 ARG HA H 1 3.33 .05 . 1 . . . . . . . . 4934 1 123 . 1 1 12 12 ARG HB2 H 1 1.81 .05 . 1 . . . . . . . . 4934 1 124 . 1 1 12 12 ARG HB3 H 1 1.92 .05 . 1 . . . . . . . . 4934 1 125 . 1 1 12 12 ARG HG2 H 1 1.44 .05 . 1 . . . . . . . . 4934 1 126 . 1 1 12 12 ARG HG3 H 1 1.92 .05 . 1 . . . . . . . . 4934 1 127 . 1 1 12 12 ARG HD2 H 1 3.13 .05 . 1 . . . . . . . . 4934 1 128 . 1 1 12 12 ARG HD3 H 1 3.13 .05 . 1 . . . . . . . . 4934 1 129 . 1 1 12 12 ARG CA C 13 59.1 .1 . 1 . . . . . . . . 4934 1 130 . 1 1 12 12 ARG CB C 13 29.5 .1 . 1 . . . . . . . . 4934 1 131 . 1 1 12 12 ARG CG C 13 26.5 .1 . 1 . . . . . . . . 4934 1 132 . 1 1 12 12 ARG CD C 13 42.4 .1 . 1 . . . . . . . . 4934 1 133 . 1 1 12 12 ARG N N 15 126.76 .06 . 1 . . . . . . . . 4934 1 134 . 1 1 13 13 GLU H H 1 8.77 .03 . 1 . . . . . . . . 4934 1 135 . 1 1 13 13 GLU HA H 1 3.99 .05 . 1 . . . . . . . . 4934 1 136 . 1 1 13 13 GLU HB2 H 1 2.02 .05 . 1 . . . . . . . . 4934 1 137 . 1 1 13 13 GLU HB3 H 1 2.09 .05 . 1 . . . . . . . . 4934 1 138 . 1 1 13 13 GLU HG2 H 1 2.33 .05 . 1 . . . . . . . . 4934 1 139 . 1 1 13 13 GLU HG3 H 1 2.33 .05 . 1 . . . . . . . . 4934 1 140 . 1 1 13 13 GLU CA C 13 59.8 .1 . 1 . . . . . . . . 4934 1 141 . 1 1 13 13 GLU CB C 13 28.3 .1 . 1 . . . . . . . . 4934 1 142 . 1 1 13 13 GLU CG C 13 36.6 .1 . 1 . . . . . . . . 4934 1 143 . 1 1 13 13 GLU N N 15 119.19 .06 . 1 . . . . . . . . 4934 1 144 . 1 1 14 14 ARG H H 1 7.96 .03 . 1 . . . . . . . . 4934 1 145 . 1 1 14 14 ARG HA H 1 3.95 .05 . 1 . . . . . . . . 4934 1 146 . 1 1 14 14 ARG HB2 H 1 1.98 .05 . 1 . . . . . . . . 4934 1 147 . 1 1 14 14 ARG HB3 H 1 2.08 .05 . 1 . . . . . . . . 4934 1 148 . 1 1 14 14 ARG HG2 H 1 1.7 .05 . 1 . . . . . . . . 4934 1 149 . 1 1 14 14 ARG HG3 H 1 1.7 .05 . 1 . . . . . . . . 4934 1 150 . 1 1 14 14 ARG CA C 13 59.0 .1 . 1 . . . . . . . . 4934 1 151 . 1 1 14 14 ARG CB C 13 29.9 .1 . 1 . . . . . . . . 4934 1 152 . 1 1 14 14 ARG CG C 13 30.2 .1 . 1 . . . . . . . . 4934 1 153 . 1 1 14 14 ARG N N 15 122.22 .06 . 1 . . . . . . . . 4934 1 154 . 1 1 15 15 PHE H H 1 8.47 .03 . 1 . . . . . . . . 4934 1 155 . 1 1 15 15 PHE HA H 1 4.13 .05 . 1 . . . . . . . . 4934 1 156 . 1 1 15 15 PHE HB2 H 1 2.82 .05 . 1 . . . . . . . . 4934 1 157 . 1 1 15 15 PHE HB3 H 1 2.82 .05 . 1 . . . . . . . . 4934 1 158 . 1 1 15 15 PHE HD1 H 1 6.79 .05 . 1 . . . . . . . . 4934 1 159 . 1 1 15 15 PHE HD2 H 1 6.79 .05 . 1 . . . . . . . . 4934 1 160 . 1 1 15 15 PHE HE1 H 1 7.24 .05 . 1 . . . . . . . . 4934 1 161 . 1 1 15 15 PHE HE2 H 1 7.24 .05 . 1 . . . . . . . . 4934 1 162 . 1 1 15 15 PHE HZ H 1 7.43 .05 . 1 . . . . . . . . 4934 1 163 . 1 1 15 15 PHE CA C 13 61.5 .1 . 1 . . . . . . . . 4934 1 164 . 1 1 15 15 PHE CB C 13 38.5 .1 . 1 . . . . . . . . 4934 1 165 . 1 1 15 15 PHE N N 15 120.05 .06 . 1 . . . . . . . . 4934 1 166 . 1 1 16 16 GLU H H 1 8.68 .03 . 1 . . . . . . . . 4934 1 167 . 1 1 16 16 GLU HA H 1 3.6 .05 . 1 . . . . . . . . 4934 1 168 . 1 1 16 16 GLU HB2 H 1 2.02 .05 . 1 . . . . . . . . 4934 1 169 . 1 1 16 16 GLU HB3 H 1 2.02 .05 . 1 . . . . . . . . 4934 1 170 . 1 1 16 16 GLU HG2 H 1 2.33 .05 . 1 . . . . . . . . 4934 1 171 . 1 1 16 16 GLU HG3 H 1 2.48 .05 . 1 . . . . . . . . 4934 1 172 . 1 1 16 16 GLU CA C 13 58.9 .1 . 1 . . . . . . . . 4934 1 173 . 1 1 16 16 GLU CB C 13 28.5 .1 . 1 . . . . . . . . 4934 1 174 . 1 1 16 16 GLU CG C 13 36.1 .1 . 1 . . . . . . . . 4934 1 175 . 1 1 16 16 GLU N N 15 119.13 .06 . 1 . . . . . . . . 4934 1 176 . 1 1 17 17 GLN H H 1 7.78 .03 . 1 . . . . . . . . 4934 1 177 . 1 1 17 17 GLN HA H 1 4.13 .05 . 1 . . . . . . . . 4934 1 178 . 1 1 17 17 GLN HB2 H 1 2.07 .05 . 1 . . . . . . . . 4934 1 179 . 1 1 17 17 GLN HB3 H 1 2.28 .05 . 1 . . . . . . . . 4934 1 180 . 1 1 17 17 GLN HG2 H 1 2.29 .05 . 1 . . . . . . . . 4934 1 181 . 1 1 17 17 GLN HG3 H 1 2.59 .05 . 1 . . . . . . . . 4934 1 182 . 1 1 17 17 GLN HE21 H 1 6.63 .03 . 2 . . . . . . . . 4934 1 183 . 1 1 17 17 GLN HE22 H 1 7.42 .03 . 2 . . . . . . . . 4934 1 184 . 1 1 17 17 GLN CA C 13 58.8 .1 . 1 . . . . . . . . 4934 1 185 . 1 1 17 17 GLN CB C 13 27.9 .1 . 1 . . . . . . . . 4934 1 186 . 1 1 17 17 GLN CG C 13 33.8 .1 . 1 . . . . . . . . 4934 1 187 . 1 1 17 17 GLN N N 15 118.91 .06 . 1 . . . . . . . . 4934 1 188 . 1 1 17 17 GLN NE2 N 15 111.41 .06 . 1 . . . . . . . . 4934 1 189 . 1 1 18 18 PHE H H 1 8.23 .03 . 1 . . . . . . . . 4934 1 190 . 1 1 18 18 PHE HA H 1 4.17 .05 . 1 . . . . . . . . 4934 1 191 . 1 1 18 18 PHE HB2 H 1 2.78 .05 . 1 . . . . . . . . 4934 1 192 . 1 1 18 18 PHE HB3 H 1 3.19 .05 . 1 . . . . . . . . 4934 1 193 . 1 1 18 18 PHE HD1 H 1 7.29 .05 . 1 . . . . . . . . 4934 1 194 . 1 1 18 18 PHE HD2 H 1 7.29 .05 . 1 . . . . . . . . 4934 1 195 . 1 1 18 18 PHE HE1 H 1 7.42 .05 . 1 . . . . . . . . 4934 1 196 . 1 1 18 18 PHE HE2 H 1 7.42 .05 . 1 . . . . . . . . 4934 1 197 . 1 1 18 18 PHE CA C 13 61.0 .1 . 1 . . . . . . . . 4934 1 198 . 1 1 18 18 PHE CB C 13 38.9 .1 . 1 . . . . . . . . 4934 1 199 . 1 1 18 18 PHE N N 15 120.57 .06 . 1 . . . . . . . . 4934 1 200 . 1 1 19 19 ARG H H 1 9.37 .03 . 1 . . . . . . . . 4934 1 201 . 1 1 19 19 ARG HA H 1 3.74 .05 . 1 . . . . . . . . 4934 1 202 . 1 1 19 19 ARG HB2 H 1 0.96 .05 . 1 . . . . . . . . 4934 1 203 . 1 1 19 19 ARG HB3 H 1 1.55 .05 . 4 . . . . . . . . 4934 1 204 . 1 1 19 19 ARG HG2 H 1 1.46 .05 . 1 . . . . . . . . 4934 1 205 . 1 1 19 19 ARG HG3 H 1 1.55 .05 . 4 . . . . . . . . 4934 1 206 . 1 1 19 19 ARG HD2 H 1 2.87 .05 . 1 . . . . . . . . 4934 1 207 . 1 1 19 19 ARG HD3 H 1 3.23 .05 . 1 . . . . . . . . 4934 1 208 . 1 1 19 19 ARG CA C 13 59.6 .1 . 1 . . . . . . . . 4934 1 209 . 1 1 19 19 ARG CB C 13 28.9 .1 . 1 . . . . . . . . 4934 1 210 . 1 1 19 19 ARG CG C 13 25.4 .1 . 1 . . . . . . . . 4934 1 211 . 1 1 19 19 ARG CD C 13 42.8 .1 . 1 . . . . . . . . 4934 1 212 . 1 1 19 19 ARG N N 15 122.41 .06 . 1 . . . . . . . . 4934 1 213 . 1 1 20 20 GLU H H 1 8.2 .03 . 1 . . . . . . . . 4934 1 214 . 1 1 20 20 GLU HA H 1 4.01 .05 . 1 . . . . . . . . 4934 1 215 . 1 1 20 20 GLU HB2 H 1 2.13 .05 . 1 . . . . . . . . 4934 1 216 . 1 1 20 20 GLU HB3 H 1 2.13 .05 . 1 . . . . . . . . 4934 1 217 . 1 1 20 20 GLU HG2 H 1 2.28 .05 . 1 . . . . . . . . 4934 1 218 . 1 1 20 20 GLU HG3 H 1 2.46 .05 . 1 . . . . . . . . 4934 1 219 . 1 1 20 20 GLU CA C 13 59.5 .1 . 1 . . . . . . . . 4934 1 220 . 1 1 20 20 GLU CB C 13 29.2 .1 . 1 . . . . . . . . 4934 1 221 . 1 1 20 20 GLU CG C 13 36.1 .1 . 1 . . . . . . . . 4934 1 222 . 1 1 20 20 GLU N N 15 119.65 .06 . 1 . . . . . . . . 4934 1 223 . 1 1 21 21 ARG H H 1 7.53 .03 . 1 . . . . . . . . 4934 1 224 . 1 1 21 21 ARG HA H 1 4.23 .05 . 1 . . . . . . . . 4934 1 225 . 1 1 21 21 ARG HB2 H 1 2.05 .05 . 1 . . . . . . . . 4934 1 226 . 1 1 21 21 ARG HB3 H 1 2.05 .05 . 1 . . . . . . . . 4934 1 227 . 1 1 21 21 ARG HG2 H 1 1.72 .05 . 1 . . . . . . . . 4934 1 228 . 1 1 21 21 ARG HG3 H 1 1.72 .05 . 1 . . . . . . . . 4934 1 229 . 1 1 21 21 ARG HD2 H 1 3.07 .05 . 1 . . . . . . . . 4934 1 230 . 1 1 21 21 ARG HD3 H 1 3.07 .05 . 1 . . . . . . . . 4934 1 231 . 1 1 21 21 ARG CA C 13 58.7 .1 . 1 . . . . . . . . 4934 1 232 . 1 1 21 21 ARG CB C 13 29.9 .1 . 1 . . . . . . . . 4934 1 233 . 1 1 21 21 ARG CG C 13 27.1 .1 . 1 . . . . . . . . 4934 1 234 . 1 1 21 21 ARG CD C 13 42.8 .1 . 1 . . . . . . . . 4934 1 235 . 1 1 21 21 ARG N N 15 119.84 .06 . 1 . . . . . . . . 4934 1 236 . 1 1 22 22 ASN H H 1 8.83 .03 . 1 . . . . . . . . 4934 1 237 . 1 1 22 22 ASN HA H 1 4.65 .05 . 1 . . . . . . . . 4934 1 238 . 1 1 22 22 ASN HB2 H 1 2.60 .05 . 1 . . . . . . . . 4934 1 239 . 1 1 22 22 ASN HB3 H 1 2.96 .05 . 1 . . . . . . . . 4934 1 240 . 1 1 22 22 ASN HD21 H 1 6.46 .03 . 2 . . . . . . . . 4934 1 241 . 1 1 22 22 ASN HD22 H 1 7.78 .03 . 2 . . . . . . . . 4934 1 242 . 1 1 22 22 ASN CA C 13 57.3 .1 . 1 . . . . . . . . 4934 1 243 . 1 1 22 22 ASN CB C 13 39.6 .1 . 1 . . . . . . . . 4934 1 244 . 1 1 22 22 ASN N N 15 118.9 .06 . 1 . . . . . . . . 4934 1 245 . 1 1 22 22 ASN ND2 N 15 112.6 .06 . 1 . . . . . . . . 4934 1 246 . 1 1 23 23 GLU H H 1 8.84 .03 . 1 . . . . . . . . 4934 1 247 . 1 1 23 23 GLU HA H 1 4.05 .05 . 1 . . . . . . . . 4934 1 248 . 1 1 23 23 GLU HB2 H 1 2.15 .05 . 1 . . . . . . . . 4934 1 249 . 1 1 23 23 GLU HB3 H 1 2.15 .05 . 1 . . . . . . . . 4934 1 250 . 1 1 23 23 GLU CA C 13 59.3 .1 . 1 . . . . . . . . 4934 1 251 . 1 1 23 23 GLU CB C 13 29.2 .1 . 1 . . . . . . . . 4934 1 252 . 1 1 23 23 GLU N N 15 118.9 .06 . 1 . . . . . . . . 4934 1 253 . 1 1 24 24 ALA H H 1 7.84 .03 . 1 . . . . . . . . 4934 1 254 . 1 1 24 24 ALA HA H 1 4.25 .05 . 1 . . . . . . . . 4934 1 255 . 1 1 24 24 ALA HB1 H 1 1.62 .05 . 1 . . . . . . . . 4934 1 256 . 1 1 24 24 ALA HB2 H 1 1.62 .05 . 1 . . . . . . . . 4934 1 257 . 1 1 24 24 ALA HB3 H 1 1.62 .05 . 1 . . . . . . . . 4934 1 258 . 1 1 24 24 ALA CA C 13 54.8 .1 . 1 . . . . . . . . 4934 1 259 . 1 1 24 24 ALA CB C 13 17.7 .1 . 1 . . . . . . . . 4934 1 260 . 1 1 24 24 ALA N N 15 121.72 .06 . 1 . . . . . . . . 4934 1 261 . 1 1 25 25 LEU H H 1 7.89 .03 . 1 . . . . . . . . 4934 1 262 . 1 1 25 25 LEU HA H 1 4.15 .05 . 1 . . . . . . . . 4934 1 263 . 1 1 25 25 LEU HB2 H 1 1.46 .05 . 1 . . . . . . . . 4934 1 264 . 1 1 25 25 LEU HB3 H 1 2.20 .05 . 1 . . . . . . . . 4934 1 265 . 1 1 25 25 LEU HG H 1 2.09 .05 . 1 . . . . . . . . 4934 1 266 . 1 1 25 25 LEU HD11 H 1 1.12 .05 . 1 . . . . . . . . 4934 1 267 . 1 1 25 25 LEU HD12 H 1 1.12 .05 . 1 . . . . . . . . 4934 1 268 . 1 1 25 25 LEU HD13 H 1 1.12 .05 . 1 . . . . . . . . 4934 1 269 . 1 1 25 25 LEU HD21 H 1 0.97 .05 . 1 . . . . . . . . 4934 1 270 . 1 1 25 25 LEU HD22 H 1 0.97 .05 . 1 . . . . . . . . 4934 1 271 . 1 1 25 25 LEU HD23 H 1 0.97 .05 . 1 . . . . . . . . 4934 1 272 . 1 1 25 25 LEU CA C 13 57.6 .1 . 1 . . . . . . . . 4934 1 273 . 1 1 25 25 LEU CB C 13 40.5 .1 . 1 . . . . . . . . 4934 1 274 . 1 1 25 25 LEU CG C 13 26.0 .1 . 1 . . . . . . . . 4934 1 275 . 1 1 25 25 LEU CD1 C 13 22.1 .1 . 1 . . . . . . . . 4934 1 276 . 1 1 25 25 LEU CD2 C 13 25.8 .1 . 1 . . . . . . . . 4934 1 277 . 1 1 25 25 LEU N N 15 120.1 .06 . 1 . . . . . . . . 4934 1 278 . 1 1 26 26 GLU H H 1 8.45 .03 . 1 . . . . . . . . 4934 1 279 . 1 1 26 26 GLU HA H 1 4.26 .05 . 1 . . . . . . . . 4934 1 280 . 1 1 26 26 GLU HB2 H 1 2.16 .05 . 1 . . . . . . . . 4934 1 281 . 1 1 26 26 GLU HB3 H 1 2.16 .05 . 1 . . . . . . . . 4934 1 282 . 1 1 26 26 GLU HG2 H 1 2.24 .05 . 1 . . . . . . . . 4934 1 283 . 1 1 26 26 GLU HG3 H 1 2.76 .05 . 1 . . . . . . . . 4934 1 284 . 1 1 26 26 GLU CA C 13 59.3 .1 . 1 . . . . . . . . 4934 1 285 . 1 1 26 26 GLU CB C 13 28.6 .1 . 1 . . . . . . . . 4934 1 286 . 1 1 26 26 GLU CG C 13 37.0 .1 . 1 . . . . . . . . 4934 1 287 . 1 1 26 26 GLU N N 15 119.84 .06 . 1 . . . . . . . . 4934 1 288 . 1 1 27 27 LEU H H 1 8.26 .03 . 1 . . . . . . . . 4934 1 289 . 1 1 27 27 LEU HA H 1 4.26 .05 . 1 . . . . . . . . 4934 1 290 . 1 1 27 27 LEU HB2 H 1 1.77 .05 . 1 . . . . . . . . 4934 1 291 . 1 1 27 27 LEU HB3 H 1 1.85 .05 . 1 . . . . . . . . 4934 1 292 . 1 1 27 27 LEU HG H 1 1.75 .05 . 1 . . . . . . . . 4934 1 293 . 1 1 27 27 LEU HD11 H 1 0.95 .05 . 1 . . . . . . . . 4934 1 294 . 1 1 27 27 LEU HD12 H 1 0.95 .05 . 1 . . . . . . . . 4934 1 295 . 1 1 27 27 LEU HD13 H 1 0.95 .05 . 1 . . . . . . . . 4934 1 296 . 1 1 27 27 LEU HD21 H 1 0.95 .05 . 1 . . . . . . . . 4934 1 297 . 1 1 27 27 LEU HD22 H 1 0.95 .05 . 1 . . . . . . . . 4934 1 298 . 1 1 27 27 LEU HD23 H 1 0.95 .05 . 1 . . . . . . . . 4934 1 299 . 1 1 27 27 LEU CA C 13 57.6 .1 . 1 . . . . . . . . 4934 1 300 . 1 1 27 27 LEU CB C 13 41.3 .1 . 1 . . . . . . . . 4934 1 301 . 1 1 27 27 LEU CG C 13 26.5 .1 . 1 . . . . . . . . 4934 1 302 . 1 1 27 27 LEU CD1 C 13 23.7 .1 . 1 . . . . . . . . 4934 1 303 . 1 1 27 27 LEU CD2 C 13 23.7 .1 . 1 . . . . . . . . 4934 1 304 . 1 1 27 27 LEU N N 15 122.66 .06 . 1 . . . . . . . . 4934 1 305 . 1 1 28 28 LYS H H 1 7.56 .03 . 1 . . . . . . . . 4934 1 306 . 1 1 28 28 LYS HA H 1 4.16 .05 . 1 . . . . . . . . 4934 1 307 . 1 1 28 28 LYS HB2 H 1 2.05 .05 . 1 . . . . . . . . 4934 1 308 . 1 1 28 28 LYS HB3 H 1 2.05 .05 . 1 . . . . . . . . 4934 1 309 . 1 1 28 28 LYS HG2 H 1 1.54 .05 . 1 . . . . . . . . 4934 1 310 . 1 1 28 28 LYS HG3 H 1 1.66 .05 . 1 . . . . . . . . 4934 1 311 . 1 1 28 28 LYS HD2 H 1 1.75 .05 . 1 . . . . . . . . 4934 1 312 . 1 1 28 28 LYS HD3 H 1 1.75 .05 . 1 . . . . . . . . 4934 1 313 . 1 1 28 28 LYS HE2 H 1 3.05 .05 . 1 . . . . . . . . 4934 1 314 . 1 1 28 28 LYS HE3 H 1 3.05 .05 . 1 . . . . . . . . 4934 1 315 . 1 1 28 28 LYS CA C 13 58.4 .1 . 1 . . . . . . . . 4934 1 316 . 1 1 28 28 LYS CB C 13 31.6 .1 . 1 . . . . . . . . 4934 1 317 . 1 1 28 28 LYS CG C 13 24.7 .1 . 1 . . . . . . . . 4934 1 318 . 1 1 28 28 LYS CD C 13 28.8 .1 . 1 . . . . . . . . 4934 1 319 . 1 1 28 28 LYS N N 15 119.92 .06 . 1 . . . . . . . . 4934 1 320 . 1 1 29 29 ASP H H 1 8.08 .03 . 1 . . . . . . . . 4934 1 321 . 1 1 29 29 ASP HA H 1 4.43 .05 . 1 . . . . . . . . 4934 1 322 . 1 1 29 29 ASP HB2 H 1 2.74 .05 . 1 . . . . . . . . 4934 1 323 . 1 1 29 29 ASP HB3 H 1 3.00 .05 . 1 . . . . . . . . 4934 1 324 . 1 1 29 29 ASP CA C 13 56.5 .1 . 1 . . . . . . . . 4934 1 325 . 1 1 29 29 ASP CB C 13 40.2 .1 . 1 . . . . . . . . 4934 1 326 . 1 1 29 29 ASP N N 15 120.74 .06 . 1 . . . . . . . . 4934 1 327 . 1 1 30 30 ALA H H 1 7.81 .03 . 1 . . . . . . . . 4934 1 328 . 1 1 30 30 ALA HA H 1 4.29 .05 . 1 . . . . . . . . 4934 1 329 . 1 1 30 30 ALA HB1 H 1 1.58 .05 . 1 . . . . . . . . 4934 1 330 . 1 1 30 30 ALA HB2 H 1 1.58 .05 . 1 . . . . . . . . 4934 1 331 . 1 1 30 30 ALA HB3 H 1 1.58 .05 . 1 . . . . . . . . 4934 1 332 . 1 1 30 30 ALA CA C 13 53.4 .1 . 1 . . . . . . . . 4934 1 333 . 1 1 30 30 ALA CB C 13 18.3 .1 . 1 . . . . . . . . 4934 1 334 . 1 1 30 30 ALA N N 15 122.08 .06 . 1 . . . . . . . . 4934 1 335 . 1 1 31 31 GLN H H 1 8.0 .03 . 1 . . . . . . . . 4934 1 336 . 1 1 31 31 GLN HA H 1 4.26 .05 . 1 . . . . . . . . 4934 1 337 . 1 1 31 31 GLN HB2 H 1 2.18 .05 . 1 . . . . . . . . 4934 1 338 . 1 1 31 31 GLN HB3 H 1 2.18 .05 . 1 . . . . . . . . 4934 1 339 . 1 1 31 31 GLN HG2 H 1 2.47 .05 . 1 . . . . . . . . 4934 1 340 . 1 1 31 31 GLN HG3 H 1 2.58 .05 . 1 . . . . . . . . 4934 1 341 . 1 1 31 31 GLN HE21 H 1 6.88 .03 . 2 . . . . . . . . 4934 1 342 . 1 1 31 31 GLN HE22 H 1 7.50 .03 . 2 . . . . . . . . 4934 1 343 . 1 1 31 31 GLN CA C 13 56.2 .1 . 1 . . . . . . . . 4934 1 344 . 1 1 31 31 GLN CB C 13 28.5 .1 . 1 . . . . . . . . 4934 1 345 . 1 1 31 31 GLN CG C 13 33.6 .1 . 1 . . . . . . . . 4934 1 346 . 1 1 31 31 GLN N N 15 117.91 .06 . 1 . . . . . . . . 4934 1 347 . 1 1 31 31 GLN NE2 N 15 112.2 .06 . 1 . . . . . . . . 4934 1 348 . 1 1 32 32 ALA H H 1 7.91 .03 . 1 . . . . . . . . 4934 1 349 . 1 1 32 32 ALA HA H 1 4.35 .05 . 1 . . . . . . . . 4934 1 350 . 1 1 32 32 ALA HB1 H 1 1.51 .05 . 1 . . . . . . . . 4934 1 351 . 1 1 32 32 ALA HB2 H 1 1.51 .05 . 1 . . . . . . . . 4934 1 352 . 1 1 32 32 ALA HB3 H 1 1.51 .05 . 1 . . . . . . . . 4934 1 353 . 1 1 32 32 ALA CA C 13 52.9 .1 . 1 . . . . . . . . 4934 1 354 . 1 1 32 32 ALA CB C 13 18.6 .1 . 1 . . . . . . . . 4934 1 355 . 1 1 32 32 ALA N N 15 123.56 .06 . 1 . . . . . . . . 4934 1 356 . 1 1 33 33 GLY H H 1 8.25 .03 . 1 . . . . . . . . 4934 1 357 . 1 1 33 33 GLY HA2 H 1 3.98 .05 . 1 . . . . . . . . 4934 1 358 . 1 1 33 33 GLY HA3 H 1 3.98 .05 . 1 . . . . . . . . 4934 1 359 . 1 1 33 33 GLY CA C 13 45.1 .1 . 1 . . . . . . . . 4934 1 360 . 1 1 33 33 GLY N N 15 107.9 .06 . 1 . . . . . . . . 4934 1 stop_ save_