data_19741 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19741 _Entry.Title ; NMR structure of p75 transmembrane domain C257A mutant in DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-20 _Entry.Accession_date 2014-01-20 _Entry.Last_release_date 2015-01-26 _Entry.Original_release_date 2015-01-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Kirill Nadezhdin . . . 19741 2 Alexander Arseniev . . . 19741 3 Sergey Goncharuk . . . 19741 4 Konstantin Mineev . . . 19741 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19741 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID dimer . 19741 'membrane protein' . 19741 p75 . 19741 transmembrane . 19741 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19741 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 125 19741 '15N chemical shifts' 42 19741 '1H chemical shifts' 280 19741 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 . . 2015-01-26 2014-01-20 original author . 19741 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MJO . 19741 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19741 _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 of dimeric p75 neurotrophin receptor transmembrane domain provides insight on neurotrophin signaling' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Kirill Nadezhdin . . . 19741 1 2 Alexander Arseniev . . . 19741 1 3 Sergey Goncharuk . . . 19741 1 4 Konstantin Mineev . . . 19741 1 5 'Mar al' Vilar . . . 19741 1 6 Irmina 'Garc a-Carpio' . . . 19741 1 7 Eva Fernandez . . . 19741 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19741 _Assembly.ID 1 _Assembly.Name p75-TM-C257A _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'p75-TM-C257A, 1' 1 $entity A . yes native no no . . . 19741 1 2 'p75-TM-C257A, 2' 1 $entity B . yes native no no . . . 19741 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 yes PDB 2mjo . . 'solution NMR' . . . 19741 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19741 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTRGTTDNLIPVYASILAAV VVGLVAYIAFKRWNSSKQNK Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4530.318 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 19673 . p75-TM-wt . . . . . 100.00 41 97.56 97.56 1.86e-19 . . . . 19741 1 2 no PDB 2MJO . "Nmr Structure Of P75 Transmembrane Domain C257a Mutant In Dpc Micelles" . . . . . 100.00 41 100.00 100.00 6.05e-20 . . . . 19741 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 . MET . 19741 1 2 . THR . 19741 1 3 . ARG . 19741 1 4 . GLY . 19741 1 5 . THR . 19741 1 6 . THR . 19741 1 7 . ASP . 19741 1 8 . ASN . 19741 1 9 . LEU . 19741 1 10 . ILE . 19741 1 11 . PRO . 19741 1 12 . VAL . 19741 1 13 . TYR . 19741 1 14 . ALA . 19741 1 15 . SER . 19741 1 16 . ILE . 19741 1 17 . LEU . 19741 1 18 . ALA . 19741 1 19 . ALA . 19741 1 20 . VAL . 19741 1 21 . VAL . 19741 1 22 . VAL . 19741 1 23 . GLY . 19741 1 24 . LEU . 19741 1 25 . VAL . 19741 1 26 . ALA . 19741 1 27 . TYR . 19741 1 28 . ILE . 19741 1 29 . ALA . 19741 1 30 . PHE . 19741 1 31 . LYS . 19741 1 32 . ARG . 19741 1 33 . TRP . 19741 1 34 . ASN . 19741 1 35 . SER . 19741 1 36 . SER . 19741 1 37 . LYS . 19741 1 38 . GLN . 19741 1 39 . ASN . 19741 1 40 . LYS . 19741 1 41 . GLN . 19741 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19741 1 . THR 2 2 19741 1 . ARG 3 3 19741 1 . GLY 4 4 19741 1 . THR 5 5 19741 1 . THR 6 6 19741 1 . ASP 7 7 19741 1 . ASN 8 8 19741 1 . LEU 9 9 19741 1 . ILE 10 10 19741 1 . PRO 11 11 19741 1 . VAL 12 12 19741 1 . TYR 13 13 19741 1 . ALA 14 14 19741 1 . SER 15 15 19741 1 . ILE 16 16 19741 1 . LEU 17 17 19741 1 . ALA 18 18 19741 1 . ALA 19 19 19741 1 . VAL 20 20 19741 1 . VAL 21 21 19741 1 . VAL 22 22 19741 1 . GLY 23 23 19741 1 . LEU 24 24 19741 1 . VAL 25 25 19741 1 . ALA 26 26 19741 1 . TYR 27 27 19741 1 . ILE 28 28 19741 1 . ALA 29 29 19741 1 . PHE 30 30 19741 1 . LYS 31 31 19741 1 . ARG 32 32 19741 1 . TRP 33 33 19741 1 . ASN 34 34 19741 1 . SER 35 35 19741 1 . SER 36 36 19741 1 . LYS 37 37 19741 1 . GLN 38 38 19741 1 . ASN 39 39 19741 1 . LYS 40 40 19741 1 . GLN 41 41 19741 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 19741 _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 $entity . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 19741 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 19741 _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 $entity . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . pGEMEX-1 . . . . . . 19741 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19741 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p75-TM-C257A '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.5 . . mM . . . . 19741 1 2 DPC '[U-98% 2H]' . . . . . . 30 . . mM . . . . 19741 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19741 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 19741 _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 pH 5.9 . pH 19741 1 pressure 1 . atm 19741 1 temperature 318 . K 19741 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19741 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19741 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19741 1 'data analysis' 19741 1 processing 19741 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19741 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19741 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19741 2 stop_ save_ save_TALOS-N _Software.Sf_category software _Software.Sf_framecode TALOS-N _Software.Entry_ID 19741 _Software.ID 3 _Software.Name TALOS-N _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, and Ad Bax' . . 19741 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'angles constrains prediction' 19741 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19741 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller, R' . . 19741 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19741 4 'data analysis' 19741 4 'peak picking' 19741 4 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 19741 _Software.ID 5 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 19741 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure visualization' 19741 5 stop_ save_ save_qMDD _Software.Sf_category software _Software.Sf_framecode qMDD _Software.Entry_ID 19741 _Software.ID 6 _Software.Name qMDD _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Mayzel M, Orekhov V.' . . 19741 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19741 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19741 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19741 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19741 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19741 1 2 spectrometer_2 Bruker Avance . 600 . . . 19741 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 19741 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19741 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19741 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19741 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19741 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19741 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19741 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19741 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19741 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19741 _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 0.00 na indirect 0.251449530 . . . . . . . . . 19741 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19741 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19741 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19741 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19741 1 2 '2D 1H-13C HSQC' . . . 19741 1 3 '3D HNCO' . . . 19741 1 4 '3D HNCA' . . . 19741 1 5 '3D 1H-15N NOESY' . . . 19741 1 7 '2D 1H-13C HSQC aromatic' . . . 19741 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $CARA . . 19741 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 MET H H 1 8.580 0.000 . . . . . . 1 MET H . 19741 1 2 . 1 1 1 1 MET CA C 13 54.091 0.000 . . . . . . 1 MET CA . 19741 1 3 . 1 1 1 1 MET N N 15 128.327 0.000 . . . . . . 1 MET N . 19741 1 4 . 1 1 2 2 THR H H 1 8.186 0.000 . . . . . . 2 THR H . 19741 1 5 . 1 1 2 2 THR HA H 1 4.392 0.000 . . . . . . 2 THR HA . 19741 1 6 . 1 1 2 2 THR HB H 1 4.254 0.000 . . . . . . 2 THR HB . 19741 1 7 . 1 1 2 2 THR HG21 H 1 1.190 0.000 . . . . . . 2 THR QG2 . 19741 1 8 . 1 1 2 2 THR HG22 H 1 1.190 0.000 . . . . . . 2 THR QG2 . 19741 1 9 . 1 1 2 2 THR HG23 H 1 1.190 0.000 . . . . . . 2 THR QG2 . 19741 1 10 . 1 1 2 2 THR CA C 13 61.322 0.000 . . . . . . 2 THR CA . 19741 1 11 . 1 1 2 2 THR CB C 13 69.311 0.000 . . . . . . 2 THR CB . 19741 1 12 . 1 1 2 2 THR CG2 C 13 21.225 0.000 . . . . . . 2 THR CG2 . 19741 1 13 . 1 1 2 2 THR N N 15 113.991 0.000 . . . . . . 2 THR N . 19741 1 14 . 1 1 3 3 ARG H H 1 8.324 0.000 . . . . . . 3 ARG H . 19741 1 15 . 1 1 3 3 ARG HA H 1 4.374 0.000 . . . . . . 3 ARG HA . 19741 1 16 . 1 1 3 3 ARG HB2 H 1 1.903 0.000 . . . . . . 3 ARG HB2 . 19741 1 17 . 1 1 3 3 ARG HB3 H 1 1.796 0.000 . . . . . . 3 ARG HB3 . 19741 1 18 . 1 1 3 3 ARG HG2 H 1 1.652 0.000 . . . . . . 3 ARG HG2 . 19741 1 19 . 1 1 3 3 ARG HG3 H 1 1.652 0.000 . . . . . . 3 ARG HG3 . 19741 1 20 . 1 1 3 3 ARG HD2 H 1 3.197 0.000 . . . . . . 3 ARG HD2 . 19741 1 21 . 1 1 3 3 ARG HD3 H 1 3.197 0.000 . . . . . . 3 ARG HD3 . 19741 1 22 . 1 1 3 3 ARG CA C 13 55.821 0.000 . . . . . . 3 ARG CA . 19741 1 23 . 1 1 3 3 ARG CB C 13 30.353 0.000 . . . . . . 3 ARG CB . 19741 1 24 . 1 1 3 3 ARG CG C 13 26.726 0.000 . . . . . . 3 ARG CG . 19741 1 25 . 1 1 3 3 ARG CD C 13 42.923 0.000 . . . . . . 3 ARG CD . 19741 1 26 . 1 1 3 3 ARG N N 15 122.762 0.000 . . . . . . 3 ARG N . 19741 1 27 . 1 1 4 4 GLY H H 1 8.436 0.000 . . . . . . 4 GLY H . 19741 1 28 . 1 1 4 4 GLY HA2 H 1 4.033 0.000 . . . . . . 4 GLY HA2 . 19741 1 29 . 1 1 4 4 GLY HA3 H 1 4.033 0.000 . . . . . . 4 GLY HA3 . 19741 1 30 . 1 1 4 4 GLY CA C 13 44.932 0.000 . . . . . . 4 GLY CA . 19741 1 31 . 1 1 4 4 GLY N N 15 109.431 0.000 . . . . . . 4 GLY N . 19741 1 32 . 1 1 5 5 THR H H 1 8.040 0.000 . . . . . . 5 THR H . 19741 1 33 . 1 1 5 5 THR HA H 1 4.563 0.000 . . . . . . 5 THR HA . 19741 1 34 . 1 1 5 5 THR HB H 1 4.302 0.000 . . . . . . 5 THR HB . 19741 1 35 . 1 1 5 5 THR HG21 H 1 1.207 0.000 . . . . . . 5 THR QG2 . 19741 1 36 . 1 1 5 5 THR HG22 H 1 1.207 0.000 . . . . . . 5 THR QG2 . 19741 1 37 . 1 1 5 5 THR HG23 H 1 1.207 0.000 . . . . . . 5 THR QG2 . 19741 1 38 . 1 1 5 5 THR CA C 13 61.677 0.000 . . . . . . 5 THR CA . 19741 1 39 . 1 1 5 5 THR CB C 13 69.238 0.000 . . . . . . 5 THR CB . 19741 1 40 . 1 1 5 5 THR CG2 C 13 21.303 0.000 . . . . . . 5 THR CG2 . 19741 1 41 . 1 1 5 5 THR N N 15 113.238 0.000 . . . . . . 5 THR N . 19741 1 42 . 1 1 6 6 THR H H 1 8.148 0.000 . . . . . . 6 THR H . 19741 1 43 . 1 1 6 6 THR HA H 1 4.563 0.000 . . . . . . 6 THR HA . 19741 1 44 . 1 1 6 6 THR HB H 1 4.316 0.000 . . . . . . 6 THR HB . 19741 1 45 . 1 1 6 6 THR HG21 H 1 1.210 0.000 . . . . . . 6 THR QG2 . 19741 1 46 . 1 1 6 6 THR HG22 H 1 1.210 0.000 . . . . . . 6 THR QG2 . 19741 1 47 . 1 1 6 6 THR HG23 H 1 1.210 0.000 . . . . . . 6 THR QG2 . 19741 1 48 . 1 1 6 6 THR CA C 13 61.897 0.000 . . . . . . 6 THR CA . 19741 1 49 . 1 1 6 6 THR CB C 13 68.913 0.000 . . . . . . 6 THR CB . 19741 1 50 . 1 1 6 6 THR CG2 C 13 21.371 0.000 . . . . . . 6 THR CG2 . 19741 1 51 . 1 1 6 6 THR N N 15 114.625 0.000 . . . . . . 6 THR N . 19741 1 52 . 1 1 7 7 ASP H H 1 8.228 0.000 . . . . . . 7 ASP H . 19741 1 53 . 1 1 7 7 ASP HA H 1 4.543 0.000 . . . . . . 7 ASP HA . 19741 1 54 . 1 1 7 7 ASP HB2 H 1 2.664 0.000 . . . . . . 7 ASP HB2 . 19741 1 55 . 1 1 7 7 ASP HB3 H 1 2.664 0.000 . . . . . . 7 ASP HB3 . 19741 1 56 . 1 1 7 7 ASP CA C 13 54.712 0.000 . . . . . . 7 ASP CA . 19741 1 57 . 1 1 7 7 ASP CB C 13 40.714 0.000 . . . . . . 7 ASP CB . 19741 1 58 . 1 1 7 7 ASP N N 15 122.028 0.000 . . . . . . 7 ASP N . 19741 1 59 . 1 1 8 8 ASN H H 1 8.218 0.000 . . . . . . 8 ASN H . 19741 1 60 . 1 1 8 8 ASN HA H 1 4.678 0.000 . . . . . . 8 ASN HA . 19741 1 61 . 1 1 8 8 ASN HB2 H 1 2.842 0.000 . . . . . . 8 ASN HB2 . 19741 1 62 . 1 1 8 8 ASN HB3 H 1 2.842 0.000 . . . . . . 8 ASN HB3 . 19741 1 63 . 1 1 8 8 ASN HD21 H 1 7.628 0.000 . . . . . . 8 ASN HD21 . 19741 1 64 . 1 1 8 8 ASN HD22 H 1 6.884 0.000 . . . . . . 8 ASN HD22 . 19741 1 65 . 1 1 8 8 ASN CA C 13 53.210 0.000 . . . . . . 8 ASN CA . 19741 1 66 . 1 1 8 8 ASN CB C 13 38.453 0.000 . . . . . . 8 ASN CB . 19741 1 67 . 1 1 8 8 ASN N N 15 117.725 0.000 . . . . . . 8 ASN N . 19741 1 68 . 1 1 8 8 ASN ND2 N 15 112.242 0.000 . . . . . . 8 ASN ND2 . 19741 1 69 . 1 1 9 9 LEU H H 1 8.301 0.000 . . . . . . 9 LEU H . 19741 1 70 . 1 1 9 9 LEU HA H 1 4.221 0.000 . . . . . . 9 LEU HA . 19741 1 71 . 1 1 9 9 LEU HB2 H 1 1.627 0.000 . . . . . . 9 LEU HB2 . 19741 1 72 . 1 1 9 9 LEU HB3 H 1 1.226 0.000 . . . . . . 9 LEU HB3 . 19741 1 73 . 1 1 9 9 LEU HG H 1 1.587 0.000 . . . . . . 9 LEU HG . 19741 1 74 . 1 1 9 9 LEU HD11 H 1 0.912 0.000 . . . . . . 9 LEU QD1 . 19741 1 75 . 1 1 9 9 LEU HD12 H 1 0.912 0.000 . . . . . . 9 LEU QD1 . 19741 1 76 . 1 1 9 9 LEU HD13 H 1 0.912 0.000 . . . . . . 9 LEU QD1 . 19741 1 77 . 1 1 9 9 LEU HD21 H 1 0.772 0.000 . . . . . . 9 LEU QD2 . 19741 1 78 . 1 1 9 9 LEU HD22 H 1 0.772 0.000 . . . . . . 9 LEU QD2 . 19741 1 79 . 1 1 9 9 LEU HD23 H 1 0.772 0.000 . . . . . . 9 LEU QD2 . 19741 1 80 . 1 1 9 9 LEU CA C 13 55.077 0.000 . . . . . . 9 LEU CA . 19741 1 81 . 1 1 9 9 LEU CB C 13 41.958 0.000 . . . . . . 9 LEU CB . 19741 1 82 . 1 1 9 9 LEU CG C 13 26.603 0.000 . . . . . . 9 LEU CG . 19741 1 83 . 1 1 9 9 LEU CD1 C 13 24.963 0.000 . . . . . . 9 LEU CD1 . 19741 1 84 . 1 1 9 9 LEU CD2 C 13 22.909 0.000 . . . . . . 9 LEU CD2 . 19741 1 85 . 1 1 9 9 LEU N N 15 120.122 0.000 . . . . . . 9 LEU N . 19741 1 86 . 1 1 10 10 ILE H H 1 8.042 0.000 . . . . . . 10 ILE H . 19741 1 87 . 1 1 10 10 ILE HA H 1 3.881 0.000 . . . . . . 10 ILE HA . 19741 1 88 . 1 1 10 10 ILE HB H 1 2.147 0.000 . . . . . . 10 ILE HB . 19741 1 89 . 1 1 10 10 ILE HG12 H 1 1.733 0.000 . . . . . . 10 ILE HG12 . 19741 1 90 . 1 1 10 10 ILE HG13 H 1 1.264 0.000 . . . . . . 10 ILE HG13 . 19741 1 91 . 1 1 10 10 ILE HG21 H 1 0.873 0.000 . . . . . . 10 ILE QG2 . 19741 1 92 . 1 1 10 10 ILE HG22 H 1 0.873 0.000 . . . . . . 10 ILE QG2 . 19741 1 93 . 1 1 10 10 ILE HG23 H 1 0.873 0.000 . . . . . . 10 ILE QG2 . 19741 1 94 . 1 1 10 10 ILE HD11 H 1 0.947 0.000 . . . . . . 10 ILE QD1 . 19741 1 95 . 1 1 10 10 ILE HD12 H 1 0.947 0.000 . . . . . . 10 ILE QD1 . 19741 1 96 . 1 1 10 10 ILE HD13 H 1 0.947 0.000 . . . . . . 10 ILE QD1 . 19741 1 97 . 1 1 10 10 ILE CA C 13 65.577 0.000 . . . . . . 10 ILE CA . 19741 1 98 . 1 1 10 10 ILE CB C 13 34.565 0.000 . . . . . . 10 ILE CB . 19741 1 99 . 1 1 10 10 ILE CG1 C 13 29.073 0.000 . . . . . . 10 ILE CG1 . 19741 1 100 . 1 1 10 10 ILE CG2 C 13 17.142 0.000 . . . . . . 10 ILE CG2 . 19741 1 101 . 1 1 10 10 ILE CD1 C 13 11.917 0.000 . . . . . . 10 ILE CD1 . 19741 1 102 . 1 1 10 10 ILE N N 15 120.060 0.000 . . . . . . 10 ILE N . 19741 1 103 . 1 1 11 11 PRO HA H 1 4.016 0.000 . . . . . . 11 PRO HA . 19741 1 104 . 1 1 11 11 PRO HB2 H 1 1.739 0.000 . . . . . . 11 PRO HB2 . 19741 1 105 . 1 1 11 11 PRO HB3 H 1 2.082 0.000 . . . . . . 11 PRO HB3 . 19741 1 106 . 1 1 11 11 PRO HG2 H 1 2.082 0.000 . . . . . . 11 PRO HG2 . 19741 1 107 . 1 1 11 11 PRO HG3 H 1 1.771 0.000 . . . . . . 11 PRO HG3 . 19741 1 108 . 1 1 11 11 PRO HD2 H 1 3.581 0.000 . . . . . . 11 PRO HD2 . 19741 1 109 . 1 1 11 11 PRO HD3 H 1 3.581 0.000 . . . . . . 11 PRO HD3 . 19741 1 110 . 1 1 11 11 PRO CA C 13 65.397 0.000 . . . . . . 11 PRO CA . 19741 1 111 . 1 1 11 11 PRO CB C 13 31.052 0.000 . . . . . . 11 PRO CB . 19741 1 112 . 1 1 11 11 PRO CG C 13 28.012 0.000 . . . . . . 11 PRO CG . 19741 1 113 . 1 1 11 11 PRO CD C 13 49.300 0.000 . . . . . . 11 PRO CD . 19741 1 114 . 1 1 12 12 VAL H H 1 7.235 0.000 . . . . . . 12 VAL H . 19741 1 115 . 1 1 12 12 VAL HA H 1 3.657 0.000 . . . . . . 12 VAL HA . 19741 1 116 . 1 1 12 12 VAL HB H 1 2.147 0.000 . . . . . . 12 VAL HB . 19741 1 117 . 1 1 12 12 VAL HG11 H 1 0.817 0.000 . . . . . . 12 VAL QG1 . 19741 1 118 . 1 1 12 12 VAL HG12 H 1 0.817 0.000 . . . . . . 12 VAL QG1 . 19741 1 119 . 1 1 12 12 VAL HG13 H 1 0.817 0.000 . . . . . . 12 VAL QG1 . 19741 1 120 . 1 1 12 12 VAL HG21 H 1 1.007 0.000 . . . . . . 12 VAL QG2 . 19741 1 121 . 1 1 12 12 VAL HG22 H 1 1.007 0.000 . . . . . . 12 VAL QG2 . 19741 1 122 . 1 1 12 12 VAL HG23 H 1 1.007 0.000 . . . . . . 12 VAL QG2 . 19741 1 123 . 1 1 12 12 VAL CA C 13 65.828 0.000 . . . . . . 12 VAL CA . 19741 1 124 . 1 1 12 12 VAL CB C 13 30.953 0.000 . . . . . . 12 VAL CB . 19741 1 125 . 1 1 12 12 VAL CG1 C 13 20.635 0.000 . . . . . . 12 VAL CG1 . 19741 1 126 . 1 1 12 12 VAL CG2 C 13 22.336 0.000 . . . . . . 12 VAL CG2 . 19741 1 127 . 1 1 12 12 VAL N N 15 117.190 0.000 . . . . . . 12 VAL N . 19741 1 128 . 1 1 13 13 TYR H H 1 8.098 0.000 . . . . . . 13 TYR H . 19741 1 129 . 1 1 13 13 TYR HA H 1 4.331 0.000 . . . . . . 13 TYR HA . 19741 1 130 . 1 1 13 13 TYR HB2 H 1 3.049 0.000 . . . . . . 13 TYR HB2 . 19741 1 131 . 1 1 13 13 TYR HB3 H 1 3.049 0.000 . . . . . . 13 TYR HB3 . 19741 1 132 . 1 1 13 13 TYR HD1 H 1 6.904 0.000 . . . . . . 13 TYR HD1 . 19741 1 133 . 1 1 13 13 TYR HD2 H 1 6.904 0.000 . . . . . . 13 TYR HD2 . 19741 1 134 . 1 1 13 13 TYR CA C 13 59.146 0.000 . . . . . . 13 TYR CA . 19741 1 135 . 1 1 13 13 TYR CB C 13 37.051 0.000 . . . . . . 13 TYR CB . 19741 1 136 . 1 1 13 13 TYR N N 15 118.381 0.000 . . . . . . 13 TYR N . 19741 1 137 . 1 1 14 14 ALA H H 1 8.669 0.000 . . . . . . 14 ALA H . 19741 1 138 . 1 1 14 14 ALA HA H 1 3.948 0.000 . . . . . . 14 ALA HA . 19741 1 139 . 1 1 14 14 ALA HB1 H 1 1.300 0.000 . . . . . . 14 ALA HB . 19741 1 140 . 1 1 14 14 ALA HB2 H 1 1.300 0.000 . . . . . . 14 ALA HB . 19741 1 141 . 1 1 14 14 ALA HB3 H 1 1.300 0.000 . . . . . . 14 ALA HB . 19741 1 142 . 1 1 14 14 ALA CA C 13 54.838 0.000 . . . . . . 14 ALA CA . 19741 1 143 . 1 1 14 14 ALA CB C 13 18.190 0.000 . . . . . . 14 ALA CB . 19741 1 144 . 1 1 14 14 ALA N N 15 118.789 0.000 . . . . . . 14 ALA N . 19741 1 145 . 1 1 15 15 SER H H 1 7.637 0.000 . . . . . . 15 SER H . 19741 1 146 . 1 1 15 15 SER HA H 1 4.121 0.000 . . . . . . 15 SER HA . 19741 1 147 . 1 1 15 15 SER HB2 H 1 3.929 0.000 . . . . . . 15 SER HB2 . 19741 1 148 . 1 1 15 15 SER HB3 H 1 3.657 0.000 . . . . . . 15 SER HB3 . 19741 1 149 . 1 1 15 15 SER CA C 13 62.629 0.000 . . . . . . 15 SER CA . 19741 1 150 . 1 1 15 15 SER N N 15 113.352 0.000 . . . . . . 15 SER N . 19741 1 151 . 1 1 16 16 ILE H H 1 7.838 0.000 . . . . . . 16 ILE H . 19741 1 152 . 1 1 16 16 ILE HA H 1 3.665 0.000 . . . . . . 16 ILE HA . 19741 1 153 . 1 1 16 16 ILE HB H 1 1.963 0.000 . . . . . . 16 ILE HB . 19741 1 154 . 1 1 16 16 ILE HG12 H 1 0.989 0.000 . . . . . . 16 ILE HG12 . 19741 1 155 . 1 1 16 16 ILE HG13 H 1 1.918 0.000 . . . . . . 16 ILE HG13 . 19741 1 156 . 1 1 16 16 ILE HG21 H 1 0.846 0.000 . . . . . . 16 ILE QG2 . 19741 1 157 . 1 1 16 16 ILE HG22 H 1 0.846 0.000 . . . . . . 16 ILE QG2 . 19741 1 158 . 1 1 16 16 ILE HG23 H 1 0.846 0.000 . . . . . . 16 ILE QG2 . 19741 1 159 . 1 1 16 16 ILE HD11 H 1 0.811 0.000 . . . . . . 16 ILE QD1 . 19741 1 160 . 1 1 16 16 ILE HD12 H 1 0.811 0.000 . . . . . . 16 ILE QD1 . 19741 1 161 . 1 1 16 16 ILE HD13 H 1 0.811 0.000 . . . . . . 16 ILE QD1 . 19741 1 162 . 1 1 16 16 ILE CA C 13 64.699 0.000 . . . . . . 16 ILE CA . 19741 1 163 . 1 1 16 16 ILE CB C 13 37.339 0.000 . . . . . . 16 ILE CB . 19741 1 164 . 1 1 16 16 ILE CG1 C 13 28.688 0.000 . . . . . . 16 ILE CG1 . 19741 1 165 . 1 1 16 16 ILE CG2 C 13 16.913 0.000 . . . . . . 16 ILE CG2 . 19741 1 166 . 1 1 16 16 ILE CD1 C 13 13.328 0.000 . . . . . . 16 ILE CD1 . 19741 1 167 . 1 1 16 16 ILE N N 15 120.830 0.000 . . . . . . 16 ILE N . 19741 1 168 . 1 1 17 17 LEU H H 1 8.075 0.000 . . . . . . 17 LEU H . 19741 1 169 . 1 1 17 17 LEU HA H 1 3.940 0.000 . . . . . . 17 LEU HA . 19741 1 170 . 1 1 17 17 LEU HB2 H 1 1.699 0.000 . . . . . . 17 LEU HB2 . 19741 1 171 . 1 1 17 17 LEU HB3 H 1 1.699 0.000 . . . . . . 17 LEU HB3 . 19741 1 172 . 1 1 17 17 LEU HG H 1 1.679 0.000 . . . . . . 17 LEU HG . 19741 1 173 . 1 1 17 17 LEU HD11 H 1 0.823 0.000 . . . . . . 17 LEU QD1 . 19741 1 174 . 1 1 17 17 LEU HD12 H 1 0.823 0.000 . . . . . . 17 LEU QD1 . 19741 1 175 . 1 1 17 17 LEU HD13 H 1 0.823 0.000 . . . . . . 17 LEU QD1 . 19741 1 176 . 1 1 17 17 LEU HD21 H 1 0.838 0.000 . . . . . . 17 LEU QD2 . 19741 1 177 . 1 1 17 17 LEU HD22 H 1 0.838 0.000 . . . . . . 17 LEU QD2 . 19741 1 178 . 1 1 17 17 LEU HD23 H 1 0.838 0.000 . . . . . . 17 LEU QD2 . 19741 1 179 . 1 1 17 17 LEU CA C 13 57.835 0.000 . . . . . . 17 LEU CA . 19741 1 180 . 1 1 17 17 LEU CB C 13 41.050 0.000 . . . . . . 17 LEU CB . 19741 1 181 . 1 1 17 17 LEU CG C 13 26.684 0.000 . . . . . . 17 LEU CG . 19741 1 182 . 1 1 17 17 LEU CD1 C 13 24.149 0.000 . . . . . . 17 LEU CD1 . 19741 1 183 . 1 1 17 17 LEU CD2 C 13 23.774 0.000 . . . . . . 17 LEU CD2 . 19741 1 184 . 1 1 17 17 LEU N N 15 118.900 0.000 . . . . . . 17 LEU N . 19741 1 185 . 1 1 18 18 ALA H H 1 8.252 0.000 . . . . . . 18 ALA H . 19741 1 186 . 1 1 18 18 ALA HA H 1 3.850 0.000 . . . . . . 18 ALA HA . 19741 1 187 . 1 1 18 18 ALA HB1 H 1 1.409 0.000 . . . . . . 18 ALA HB . 19741 1 188 . 1 1 18 18 ALA HB2 H 1 1.409 0.000 . . . . . . 18 ALA HB . 19741 1 189 . 1 1 18 18 ALA HB3 H 1 1.409 0.000 . . . . . . 18 ALA HB . 19741 1 190 . 1 1 18 18 ALA CA C 13 55.086 0.000 . . . . . . 18 ALA CA . 19741 1 191 . 1 1 18 18 ALA CB C 13 17.314 0.000 . . . . . . 18 ALA CB . 19741 1 192 . 1 1 18 18 ALA N N 15 118.912 0.000 . . . . . . 18 ALA N . 19741 1 193 . 1 1 19 19 ALA H H 1 7.923 0.000 . . . . . . 19 ALA H . 19741 1 194 . 1 1 19 19 ALA HA H 1 3.940 0.000 . . . . . . 19 ALA HA . 19741 1 195 . 1 1 19 19 ALA HB1 H 1 1.485 0.000 . . . . . . 19 ALA HB . 19741 1 196 . 1 1 19 19 ALA HB2 H 1 1.485 0.000 . . . . . . 19 ALA HB . 19741 1 197 . 1 1 19 19 ALA HB3 H 1 1.485 0.000 . . . . . . 19 ALA HB . 19741 1 198 . 1 1 19 19 ALA CA C 13 54.982 0.000 . . . . . . 19 ALA CA . 19741 1 199 . 1 1 19 19 ALA CB C 13 18.205 0.000 . . . . . . 19 ALA CB . 19741 1 200 . 1 1 19 19 ALA N N 15 118.497 0.000 . . . . . . 19 ALA N . 19741 1 201 . 1 1 20 20 VAL H H 1 8.231 0.000 . . . . . . 20 VAL H . 19741 1 202 . 1 1 20 20 VAL HA H 1 3.524 0.000 . . . . . . 20 VAL HA . 19741 1 203 . 1 1 20 20 VAL HB H 1 2.220 0.000 . . . . . . 20 VAL HB . 19741 1 204 . 1 1 20 20 VAL HG11 H 1 0.842 0.000 . . . . . . 20 VAL QG1 . 19741 1 205 . 1 1 20 20 VAL HG12 H 1 0.842 0.000 . . . . . . 20 VAL QG1 . 19741 1 206 . 1 1 20 20 VAL HG13 H 1 0.842 0.000 . . . . . . 20 VAL QG1 . 19741 1 207 . 1 1 20 20 VAL HG21 H 1 1.002 0.000 . . . . . . 20 VAL QG2 . 19741 1 208 . 1 1 20 20 VAL HG22 H 1 1.002 0.000 . . . . . . 20 VAL QG2 . 19741 1 209 . 1 1 20 20 VAL HG23 H 1 1.002 0.000 . . . . . . 20 VAL QG2 . 19741 1 210 . 1 1 20 20 VAL CA C 13 66.256 0.000 . . . . . . 20 VAL CA . 19741 1 211 . 1 1 20 20 VAL CB C 13 30.769 0.000 . . . . . . 20 VAL CB . 19741 1 212 . 1 1 20 20 VAL CG1 C 13 20.799 0.000 . . . . . . 20 VAL CG1 . 19741 1 213 . 1 1 20 20 VAL CG2 C 13 22.631 0.000 . . . . . . 20 VAL CG2 . 19741 1 214 . 1 1 20 20 VAL N N 15 116.311 0.000 . . . . . . 20 VAL N . 19741 1 215 . 1 1 21 21 VAL H H 1 8.183 0.000 . . . . . . 21 VAL H . 19741 1 216 . 1 1 21 21 VAL HA H 1 3.505 0.000 . . . . . . 21 VAL HA . 19741 1 217 . 1 1 21 21 VAL HB H 1 2.168 0.000 . . . . . . 21 VAL HB . 19741 1 218 . 1 1 21 21 VAL HG11 H 1 0.844 0.000 . . . . . . 21 VAL QG1 . 19741 1 219 . 1 1 21 21 VAL HG12 H 1 0.844 0.000 . . . . . . 21 VAL QG1 . 19741 1 220 . 1 1 21 21 VAL HG13 H 1 0.844 0.000 . . . . . . 21 VAL QG1 . 19741 1 221 . 1 1 21 21 VAL HG21 H 1 1.007 0.000 . . . . . . 21 VAL QG2 . 19741 1 222 . 1 1 21 21 VAL HG22 H 1 1.007 0.000 . . . . . . 21 VAL QG2 . 19741 1 223 . 1 1 21 21 VAL HG23 H 1 1.007 0.000 . . . . . . 21 VAL QG2 . 19741 1 224 . 1 1 21 21 VAL CA C 13 67.224 0.000 . . . . . . 21 VAL CA . 19741 1 225 . 1 1 21 21 VAL CB C 13 30.870 0.000 . . . . . . 21 VAL CB . 19741 1 226 . 1 1 21 21 VAL CG1 C 13 20.809 0.000 . . . . . . 21 VAL CG1 . 19741 1 227 . 1 1 21 21 VAL CG2 C 13 22.581 0.000 . . . . . . 21 VAL CG2 . 19741 1 228 . 1 1 21 21 VAL N N 15 118.109 0.000 . . . . . . 21 VAL N . 19741 1 229 . 1 1 22 22 VAL H H 1 8.327 0.000 . . . . . . 22 VAL H . 19741 1 230 . 1 1 22 22 VAL HA H 1 3.446 0.000 . . . . . . 22 VAL HA . 19741 1 231 . 1 1 22 22 VAL HB H 1 2.135 0.000 . . . . . . 22 VAL HB . 19741 1 232 . 1 1 22 22 VAL HG11 H 1 0.841 0.000 . . . . . . 22 VAL QG1 . 19741 1 233 . 1 1 22 22 VAL HG12 H 1 0.841 0.000 . . . . . . 22 VAL QG1 . 19741 1 234 . 1 1 22 22 VAL HG13 H 1 0.841 0.000 . . . . . . 22 VAL QG1 . 19741 1 235 . 1 1 22 22 VAL HG21 H 1 1.018 0.000 . . . . . . 22 VAL QG2 . 19741 1 236 . 1 1 22 22 VAL HG22 H 1 1.018 0.000 . . . . . . 22 VAL QG2 . 19741 1 237 . 1 1 22 22 VAL HG23 H 1 1.018 0.000 . . . . . . 22 VAL QG2 . 19741 1 238 . 1 1 22 22 VAL CA C 13 66.933 0.000 . . . . . . 22 VAL CA . 19741 1 239 . 1 1 22 22 VAL CB C 13 30.393 0.000 . . . . . . 22 VAL CB . 19741 1 240 . 1 1 22 22 VAL CG1 C 13 20.858 0.000 . . . . . . 22 VAL CG1 . 19741 1 241 . 1 1 22 22 VAL CG2 C 13 23.133 0.000 . . . . . . 22 VAL CG2 . 19741 1 242 . 1 1 22 22 VAL N N 15 117.744 0.000 . . . . . . 22 VAL N . 19741 1 243 . 1 1 23 23 GLY H H 1 8.663 0.000 . . . . . . 23 GLY H . 19741 1 244 . 1 1 23 23 GLY HA2 H 1 3.594 0.000 . . . . . . 23 GLY HA2 . 19741 1 245 . 1 1 23 23 GLY HA3 H 1 3.764 0.000 . . . . . . 23 GLY HA3 . 19741 1 246 . 1 1 23 23 GLY CA C 13 47.220 0.000 . . . . . . 23 GLY CA . 19741 1 247 . 1 1 23 23 GLY N N 15 107.119 0.000 . . . . . . 23 GLY N . 19741 1 248 . 1 1 24 24 LEU H H 1 8.434 0.000 . . . . . . 24 LEU H . 19741 1 249 . 1 1 24 24 LEU HA H 1 4.143 0.000 . . . . . . 24 LEU HA . 19741 1 250 . 1 1 24 24 LEU HB2 H 1 1.930 0.000 . . . . . . 24 LEU HB2 . 19741 1 251 . 1 1 24 24 LEU HB3 H 1 1.658 0.000 . . . . . . 24 LEU HB3 . 19741 1 252 . 1 1 24 24 LEU HG H 1 1.858 0.000 . . . . . . 24 LEU HG . 19741 1 253 . 1 1 24 24 LEU HD11 H 1 0.886 0.000 . . . . . . 24 LEU QD1 . 19741 1 254 . 1 1 24 24 LEU HD12 H 1 0.886 0.000 . . . . . . 24 LEU QD1 . 19741 1 255 . 1 1 24 24 LEU HD13 H 1 0.886 0.000 . . . . . . 24 LEU QD1 . 19741 1 256 . 1 1 24 24 LEU HD21 H 1 0.886 0.000 . . . . . . 24 LEU QD2 . 19741 1 257 . 1 1 24 24 LEU HD22 H 1 0.886 0.000 . . . . . . 24 LEU QD2 . 19741 1 258 . 1 1 24 24 LEU HD23 H 1 0.886 0.000 . . . . . . 24 LEU QD2 . 19741 1 259 . 1 1 24 24 LEU CA C 13 57.849 0.000 . . . . . . 24 LEU CA . 19741 1 260 . 1 1 24 24 LEU CB C 13 41.774 0.000 . . . . . . 24 LEU CB . 19741 1 261 . 1 1 24 24 LEU CG C 13 26.500 0.000 . . . . . . 24 LEU CG . 19741 1 262 . 1 1 24 24 LEU CD2 C 13 24.652 0.000 . . . . . . 24 LEU CD2 . 19741 1 263 . 1 1 24 24 LEU N N 15 121.284 0.000 . . . . . . 24 LEU N . 19741 1 264 . 1 1 25 25 VAL H H 1 8.353 0.000 . . . . . . 25 VAL H . 19741 1 265 . 1 1 25 25 VAL HA H 1 3.505 0.000 . . . . . . 25 VAL HA . 19741 1 266 . 1 1 25 25 VAL HB H 1 2.230 0.000 . . . . . . 25 VAL HB . 19741 1 267 . 1 1 25 25 VAL HG11 H 1 0.887 0.000 . . . . . . 25 VAL QG1 . 19741 1 268 . 1 1 25 25 VAL HG12 H 1 0.887 0.000 . . . . . . 25 VAL QG1 . 19741 1 269 . 1 1 25 25 VAL HG13 H 1 0.887 0.000 . . . . . . 25 VAL QG1 . 19741 1 270 . 1 1 25 25 VAL HG21 H 1 1.053 0.000 . . . . . . 25 VAL QG2 . 19741 1 271 . 1 1 25 25 VAL HG22 H 1 1.053 0.000 . . . . . . 25 VAL QG2 . 19741 1 272 . 1 1 25 25 VAL HG23 H 1 1.053 0.000 . . . . . . 25 VAL QG2 . 19741 1 273 . 1 1 25 25 VAL CA C 13 66.794 0.000 . . . . . . 25 VAL CA . 19741 1 274 . 1 1 25 25 VAL CB C 13 30.648 0.000 . . . . . . 25 VAL CB . 19741 1 275 . 1 1 25 25 VAL CG1 C 13 21.175 0.000 . . . . . . 25 VAL CG1 . 19741 1 276 . 1 1 25 25 VAL CG2 C 13 22.864 0.000 . . . . . . 25 VAL CG2 . 19741 1 277 . 1 1 25 25 VAL N N 15 118.329 0.000 . . . . . . 25 VAL N . 19741 1 278 . 1 1 26 26 ALA H H 1 8.841 0.000 . . . . . . 26 ALA H . 19741 1 279 . 1 1 26 26 ALA HA H 1 3.860 0.000 . . . . . . 26 ALA HA . 19741 1 280 . 1 1 26 26 ALA HB1 H 1 1.474 0.000 . . . . . . 26 ALA HB . 19741 1 281 . 1 1 26 26 ALA HB2 H 1 1.474 0.000 . . . . . . 26 ALA HB . 19741 1 282 . 1 1 26 26 ALA HB3 H 1 1.474 0.000 . . . . . . 26 ALA HB . 19741 1 283 . 1 1 26 26 ALA CA C 13 55.044 0.000 . . . . . . 26 ALA CA . 19741 1 284 . 1 1 26 26 ALA CB C 13 17.251 0.000 . . . . . . 26 ALA CB . 19741 1 285 . 1 1 26 26 ALA N N 15 121.269 0.000 . . . . . . 26 ALA N . 19741 1 286 . 1 1 27 27 TYR H H 1 8.438 0.000 . . . . . . 27 TYR H . 19741 1 287 . 1 1 27 27 TYR HA H 1 4.144 0.000 . . . . . . 27 TYR HA . 19741 1 288 . 1 1 27 27 TYR HB2 H 1 3.274 0.000 . . . . . . 27 TYR HB2 . 19741 1 289 . 1 1 27 27 TYR HB3 H 1 3.274 0.000 . . . . . . 27 TYR HB3 . 19741 1 290 . 1 1 27 27 TYR HD1 H 1 6.927 0.000 . . . . . . 27 TYR HD1 . 19741 1 291 . 1 1 27 27 TYR HD2 H 1 6.927 0.000 . . . . . . 27 TYR HD2 . 19741 1 292 . 1 1 27 27 TYR CA C 13 61.989 0.000 . . . . . . 27 TYR CA . 19741 1 293 . 1 1 27 27 TYR CB C 13 38.216 0.000 . . . . . . 27 TYR CB . 19741 1 294 . 1 1 27 27 TYR N N 15 118.361 0.000 . . . . . . 27 TYR N . 19741 1 295 . 1 1 28 28 ILE H H 1 8.359 0.000 . . . . . . 28 ILE H . 19741 1 296 . 1 1 28 28 ILE HA H 1 3.446 0.000 . . . . . . 28 ILE HA . 19741 1 297 . 1 1 28 28 ILE HB H 1 2.025 0.000 . . . . . . 28 ILE HB . 19741 1 298 . 1 1 28 28 ILE HG12 H 1 1.989 0.000 . . . . . . 28 ILE HG12 . 19741 1 299 . 1 1 28 28 ILE HG13 H 1 1.309 0.000 . . . . . . 28 ILE HG13 . 19741 1 300 . 1 1 28 28 ILE HG21 H 1 0.887 0.000 . . . . . . 28 ILE QG2 . 19741 1 301 . 1 1 28 28 ILE HG22 H 1 0.887 0.000 . . . . . . 28 ILE QG2 . 19741 1 302 . 1 1 28 28 ILE HG23 H 1 0.887 0.000 . . . . . . 28 ILE QG2 . 19741 1 303 . 1 1 28 28 ILE HD11 H 1 0.890 0.000 . . . . . . 28 ILE QD1 . 19741 1 304 . 1 1 28 28 ILE HD12 H 1 0.890 0.000 . . . . . . 28 ILE QD1 . 19741 1 305 . 1 1 28 28 ILE HD13 H 1 0.890 0.000 . . . . . . 28 ILE QD1 . 19741 1 306 . 1 1 28 28 ILE CA C 13 64.485 0.000 . . . . . . 28 ILE CA . 19741 1 307 . 1 1 28 28 ILE CB C 13 37.099 0.000 . . . . . . 28 ILE CB . 19741 1 308 . 1 1 28 28 ILE CG1 C 13 28.669 0.000 . . . . . . 28 ILE CG1 . 19741 1 309 . 1 1 28 28 ILE CG2 C 13 17.146 0.000 . . . . . . 28 ILE CG2 . 19741 1 310 . 1 1 28 28 ILE CD1 C 13 12.709 0.000 . . . . . . 28 ILE CD1 . 19741 1 311 . 1 1 28 28 ILE N N 15 118.303 0.000 . . . . . . 28 ILE N . 19741 1 312 . 1 1 29 29 ALA H H 1 8.781 0.000 . . . . . . 29 ALA H . 19741 1 313 . 1 1 29 29 ALA HA H 1 3.879 0.000 . . . . . . 29 ALA HA . 19741 1 314 . 1 1 29 29 ALA HB1 H 1 1.322 0.000 . . . . . . 29 ALA HB . 19741 1 315 . 1 1 29 29 ALA HB2 H 1 1.322 0.000 . . . . . . 29 ALA HB . 19741 1 316 . 1 1 29 29 ALA HB3 H 1 1.322 0.000 . . . . . . 29 ALA HB . 19741 1 317 . 1 1 29 29 ALA CA C 13 55.063 0.000 . . . . . . 29 ALA CA . 19741 1 318 . 1 1 29 29 ALA CB C 13 17.712 0.000 . . . . . . 29 ALA CB . 19741 1 319 . 1 1 29 29 ALA N N 15 122.265 0.000 . . . . . . 29 ALA N . 19741 1 320 . 1 1 30 30 PHE H H 1 8.812 0.000 . . . . . . 30 PHE H . 19741 1 321 . 1 1 30 30 PHE HA H 1 4.218 0.000 . . . . . . 30 PHE HA . 19741 1 322 . 1 1 30 30 PHE HB2 H 1 3.179 0.000 . . . . . . 30 PHE HB2 . 19741 1 323 . 1 1 30 30 PHE HB3 H 1 3.179 0.000 . . . . . . 30 PHE HB3 . 19741 1 324 . 1 1 30 30 PHE HD1 H 1 7.207 0.000 . . . . . . 30 PHE HD1 . 19741 1 325 . 1 1 30 30 PHE HD2 H 1 7.207 0.000 . . . . . . 30 PHE HD2 . 19741 1 326 . 1 1 30 30 PHE CA C 13 60.906 0.000 . . . . . . 30 PHE CA . 19741 1 327 . 1 1 30 30 PHE CB C 13 38.415 0.000 . . . . . . 30 PHE CB . 19741 1 328 . 1 1 30 30 PHE N N 15 117.335 0.000 . . . . . . 30 PHE N . 19741 1 329 . 1 1 31 31 LYS H H 1 8.403 0.000 . . . . . . 31 LYS H . 19741 1 330 . 1 1 31 31 LYS HA H 1 3.896 0.000 . . . . . . 31 LYS HA . 19741 1 331 . 1 1 31 31 LYS HB2 H 1 1.700 0.000 . . . . . . 31 LYS HB2 . 19741 1 332 . 1 1 31 31 LYS HB3 H 1 1.700 0.000 . . . . . . 31 LYS HB3 . 19741 1 333 . 1 1 31 31 LYS HG2 H 1 1.249 0.000 . . . . . . 31 LYS HG2 . 19741 1 334 . 1 1 31 31 LYS HG3 H 1 1.249 0.000 . . . . . . 31 LYS HG3 . 19741 1 335 . 1 1 31 31 LYS HD2 H 1 1.535 0.000 . . . . . . 31 LYS HD2 . 19741 1 336 . 1 1 31 31 LYS HD3 H 1 1.535 0.000 . . . . . . 31 LYS HD3 . 19741 1 337 . 1 1 31 31 LYS HE2 H 1 2.865 0.000 . . . . . . 31 LYS HE2 . 19741 1 338 . 1 1 31 31 LYS HE3 H 1 2.960 0.000 . . . . . . 31 LYS HE3 . 19741 1 339 . 1 1 31 31 LYS CA C 13 58.087 0.000 . . . . . . 31 LYS CA . 19741 1 340 . 1 1 31 31 LYS CB C 13 30.955 0.000 . . . . . . 31 LYS CB . 19741 1 341 . 1 1 31 31 LYS CG C 13 23.863 0.000 . . . . . . 31 LYS CG . 19741 1 342 . 1 1 31 31 LYS CD C 13 27.903 0.000 . . . . . . 31 LYS CD . 19741 1 343 . 1 1 31 31 LYS CE C 13 41.309 0.000 . . . . . . 31 LYS CE . 19741 1 344 . 1 1 31 31 LYS N N 15 119.204 0.000 . . . . . . 31 LYS N . 19741 1 345 . 1 1 32 32 ARG H H 1 8.226 0.000 . . . . . . 32 ARG H . 19741 1 346 . 1 1 32 32 ARG HA H 1 4.146 0.000 . . . . . . 32 ARG HA . 19741 1 347 . 1 1 32 32 ARG HB2 H 1 1.886 0.000 . . . . . . 32 ARG HB2 . 19741 1 348 . 1 1 32 32 ARG HB3 H 1 1.886 0.000 . . . . . . 32 ARG HB3 . 19741 1 349 . 1 1 32 32 ARG HG2 H 1 1.645 0.000 . . . . . . 32 ARG HG2 . 19741 1 350 . 1 1 32 32 ARG HG3 H 1 1.645 0.000 . . . . . . 32 ARG HG3 . 19741 1 351 . 1 1 32 32 ARG HD2 H 1 3.058 0.000 . . . . . . 32 ARG HD2 . 19741 1 352 . 1 1 32 32 ARG HD3 H 1 3.104 0.000 . . . . . . 32 ARG HD3 . 19741 1 353 . 1 1 32 32 ARG CA C 13 57.517 0.000 . . . . . . 32 ARG CA . 19741 1 354 . 1 1 32 32 ARG CB C 13 29.575 0.000 . . . . . . 32 ARG CB . 19741 1 355 . 1 1 32 32 ARG CG C 13 27.062 0.000 . . . . . . 32 ARG CG . 19741 1 356 . 1 1 32 32 ARG CD C 13 42.645 0.000 . . . . . . 32 ARG CD . 19741 1 357 . 1 1 32 32 ARG N N 15 118.907 0.000 . . . . . . 32 ARG N . 19741 1 358 . 1 1 33 33 TRP H H 1 8.445 0.000 . . . . . . 33 TRP H . 19741 1 359 . 1 1 33 33 TRP HA H 1 4.385 0.000 . . . . . . 33 TRP HA . 19741 1 360 . 1 1 33 33 TRP HB2 H 1 3.308 0.000 . . . . . . 33 TRP HB2 . 19741 1 361 . 1 1 33 33 TRP HB3 H 1 3.308 0.000 . . . . . . 33 TRP HB3 . 19741 1 362 . 1 1 33 33 TRP CA C 13 59.193 0.000 . . . . . . 33 TRP CA . 19741 1 363 . 1 1 33 33 TRP CB C 13 28.688 0.000 . . . . . . 33 TRP CB . 19741 1 364 . 1 1 33 33 TRP N N 15 121.565 0.000 . . . . . . 33 TRP N . 19741 1 365 . 1 1 34 34 ASN H H 1 8.290 0.000 . . . . . . 34 ASN H . 19741 1 366 . 1 1 34 34 ASN HA H 1 4.385 0.000 . . . . . . 34 ASN HA . 19741 1 367 . 1 1 34 34 ASN HB2 H 1 2.676 0.000 . . . . . . 34 ASN HB2 . 19741 1 368 . 1 1 34 34 ASN HB3 H 1 2.490 0.000 . . . . . . 34 ASN HB3 . 19741 1 369 . 1 1 34 34 ASN HD21 H 1 7.334 0.000 . . . . . . 34 ASN HD21 . 19741 1 370 . 1 1 34 34 ASN HD22 H 1 6.616 0.000 . . . . . . 34 ASN HD22 . 19741 1 371 . 1 1 34 34 ASN CA C 13 53.931 0.000 . . . . . . 34 ASN CA . 19741 1 372 . 1 1 34 34 ASN CB C 13 38.806 0.000 . . . . . . 34 ASN CB . 19741 1 373 . 1 1 34 34 ASN N N 15 117.184 0.000 . . . . . . 34 ASN N . 19741 1 374 . 1 1 34 34 ASN ND2 N 15 111.849 0.000 . . . . . . 34 ASN ND2 . 19741 1 375 . 1 1 35 35 SER H H 1 7.862 0.000 . . . . . . 35 SER H . 19741 1 376 . 1 1 35 35 SER HA H 1 4.362 0.000 . . . . . . 35 SER HA . 19741 1 377 . 1 1 35 35 SER HB2 H 1 3.933 0.000 . . . . . . 35 SER HB2 . 19741 1 378 . 1 1 35 35 SER HB3 H 1 3.933 0.000 . . . . . . 35 SER HB3 . 19741 1 379 . 1 1 35 35 SER CA C 13 59.100 0.000 . . . . . . 35 SER CA . 19741 1 380 . 1 1 35 35 SER CB C 13 63.175 0.000 . . . . . . 35 SER CB . 19741 1 381 . 1 1 35 35 SER N N 15 114.662 0.000 . . . . . . 35 SER N . 19741 1 382 . 1 1 36 36 SER H H 1 7.979 0.000 . . . . . . 36 SER H . 19741 1 383 . 1 1 36 36 SER HA H 1 4.404 0.000 . . . . . . 36 SER HA . 19741 1 384 . 1 1 36 36 SER HB2 H 1 3.890 0.000 . . . . . . 36 SER HB2 . 19741 1 385 . 1 1 36 36 SER HB3 H 1 3.890 0.000 . . . . . . 36 SER HB3 . 19741 1 386 . 1 1 36 36 SER CA C 13 58.628 0.000 . . . . . . 36 SER CA . 19741 1 387 . 1 1 36 36 SER CB C 13 63.288 0.000 . . . . . . 36 SER CB . 19741 1 388 . 1 1 36 36 SER N N 15 117.160 0.000 . . . . . . 36 SER N . 19741 1 389 . 1 1 37 37 LYS H H 1 7.897 0.000 . . . . . . 37 LYS H . 19741 1 390 . 1 1 37 37 LYS HA H 1 4.238 0.000 . . . . . . 37 LYS HA . 19741 1 391 . 1 1 37 37 LYS HB2 H 1 1.774 0.000 . . . . . . 37 LYS HB2 . 19741 1 392 . 1 1 37 37 LYS HB3 H 1 1.681 0.000 . . . . . . 37 LYS HB3 . 19741 1 393 . 1 1 37 37 LYS HG2 H 1 1.294 0.000 . . . . . . 37 LYS HG2 . 19741 1 394 . 1 1 37 37 LYS HG3 H 1 1.294 0.000 . . . . . . 37 LYS HG3 . 19741 1 395 . 1 1 37 37 LYS HD2 H 1 1.549 0.000 . . . . . . 37 LYS HD2 . 19741 1 396 . 1 1 37 37 LYS HD3 H 1 1.549 0.000 . . . . . . 37 LYS HD3 . 19741 1 397 . 1 1 37 37 LYS HE2 H 1 2.862 0.000 . . . . . . 37 LYS HE2 . 19741 1 398 . 1 1 37 37 LYS HE3 H 1 2.862 0.000 . . . . . . 37 LYS HE3 . 19741 1 399 . 1 1 37 37 LYS CA C 13 55.932 0.000 . . . . . . 37 LYS CA . 19741 1 400 . 1 1 37 37 LYS CB C 13 32.163 0.000 . . . . . . 37 LYS CB . 19741 1 401 . 1 1 37 37 LYS CG C 13 23.989 0.000 . . . . . . 37 LYS CG . 19741 1 402 . 1 1 37 37 LYS CD C 13 28.423 0.000 . . . . . . 37 LYS CD . 19741 1 403 . 1 1 37 37 LYS CE C 13 41.640 0.000 . . . . . . 37 LYS CE . 19741 1 404 . 1 1 37 37 LYS N N 15 122.102 0.000 . . . . . . 37 LYS N . 19741 1 405 . 1 1 38 38 GLN H H 1 8.058 0.000 . . . . . . 38 GLN H . 19741 1 406 . 1 1 38 38 GLN HA H 1 4.309 0.000 . . . . . . 38 GLN HA . 19741 1 407 . 1 1 38 38 GLN HB2 H 1 2.090 0.000 . . . . . . 38 GLN HB2 . 19741 1 408 . 1 1 38 38 GLN HB3 H 1 1.953 0.000 . . . . . . 38 GLN HB3 . 19741 1 409 . 1 1 38 38 GLN HG2 H 1 2.342 0.000 . . . . . . 38 GLN HG2 . 19741 1 410 . 1 1 38 38 GLN HG3 H 1 2.342 0.000 . . . . . . 38 GLN HG3 . 19741 1 411 . 1 1 38 38 GLN CA C 13 55.436 0.000 . . . . . . 38 GLN CA . 19741 1 412 . 1 1 38 38 GLN CB C 13 28.954 0.000 . . . . . . 38 GLN CB . 19741 1 413 . 1 1 38 38 GLN CG C 13 33.332 0.000 . . . . . . 38 GLN CG . 19741 1 414 . 1 1 38 38 GLN N N 15 119.979 0.000 . . . . . . 38 GLN N . 19741 1 415 . 1 1 39 39 ASN H H 1 8.269 0.000 . . . . . . 39 ASN H . 19741 1 416 . 1 1 39 39 ASN HA H 1 4.681 0.000 . . . . . . 39 ASN HA . 19741 1 417 . 1 1 39 39 ASN HB2 H 1 2.806 0.000 . . . . . . 39 ASN HB2 . 19741 1 418 . 1 1 39 39 ASN HB3 H 1 2.737 0.000 . . . . . . 39 ASN HB3 . 19741 1 419 . 1 1 39 39 ASN CA C 13 52.858 0.000 . . . . . . 39 ASN CA . 19741 1 420 . 1 1 39 39 ASN CB C 13 38.498 0.000 . . . . . . 39 ASN CB . 19741 1 421 . 1 1 39 39 ASN N N 15 119.701 0.000 . . . . . . 39 ASN N . 19741 1 422 . 1 1 40 40 LYS H H 1 8.108 0.000 . . . . . . 40 LYS H . 19741 1 423 . 1 1 40 40 LYS HA H 1 4.342 0.000 . . . . . . 40 LYS HA . 19741 1 424 . 1 1 40 40 LYS HB2 H 1 1.738 0.000 . . . . . . 40 LYS HB2 . 19741 1 425 . 1 1 40 40 LYS HB3 H 1 1.853 0.000 . . . . . . 40 LYS HB3 . 19741 1 426 . 1 1 40 40 LYS HG2 H 1 1.440 0.000 . . . . . . 40 LYS HG2 . 19741 1 427 . 1 1 40 40 LYS HG3 H 1 1.440 0.000 . . . . . . 40 LYS HG3 . 19741 1 428 . 1 1 40 40 LYS HD2 H 1 1.655 0.000 . . . . . . 40 LYS HD2 . 19741 1 429 . 1 1 40 40 LYS HD3 H 1 1.655 0.000 . . . . . . 40 LYS HD3 . 19741 1 430 . 1 1 40 40 LYS HE2 H 1 2.988 0.000 . . . . . . 40 LYS HE2 . 19741 1 431 . 1 1 40 40 LYS HE3 H 1 2.988 0.000 . . . . . . 40 LYS HE3 . 19741 1 432 . 1 1 40 40 LYS CA C 13 55.860 0.000 . . . . . . 40 LYS CA . 19741 1 433 . 1 1 40 40 LYS CB C 13 32.595 0.000 . . . . . . 40 LYS CB . 19741 1 434 . 1 1 40 40 LYS CG C 13 24.046 0.000 . . . . . . 40 LYS CG . 19741 1 435 . 1 1 40 40 LYS CD C 13 28.528 0.000 . . . . . . 40 LYS CD . 19741 1 436 . 1 1 40 40 LYS CE C 13 41.682 0.000 . . . . . . 40 LYS CE . 19741 1 437 . 1 1 40 40 LYS N N 15 121.895 0.000 . . . . . . 40 LYS N . 19741 1 438 . 1 1 41 41 GLN H H 1 7.901 0.000 . . . . . . 41 GLN H . 19741 1 439 . 1 1 41 41 GLN HA H 1 4.569 0.000 . . . . . . 41 GLN HA . 19741 1 440 . 1 1 41 41 GLN HB2 H 1 2.092 0.000 . . . . . . 41 GLN HB2 . 19741 1 441 . 1 1 41 41 GLN HB3 H 1 1.908 0.000 . . . . . . 41 GLN HB3 . 19741 1 442 . 1 1 41 41 GLN HG2 H 1 2.280 0.000 . . . . . . 41 GLN HG2 . 19741 1 443 . 1 1 41 41 GLN HG3 H 1 2.280 0.000 . . . . . . 41 GLN HG3 . 19741 1 444 . 1 1 41 41 GLN CA C 13 56.958 0.000 . . . . . . 41 GLN CA . 19741 1 445 . 1 1 41 41 GLN CB C 13 30.081 0.000 . . . . . . 41 GLN CB . 19741 1 446 . 1 1 41 41 GLN CG C 13 33.916 0.000 . . . . . . 41 GLN CG . 19741 1 447 . 1 1 41 41 GLN N N 15 108.768 0.000 . . . . . . 41 GLN N . 19741 1 stop_ save_