data_6589 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6589 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Chromo Domain of cpSRP43 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-12 _Entry.Accession_date 2005-04-12 _Entry.Last_release_date 2007-02-05 _Entry.Original_release_date 2007-02-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Sivaraja Vaithiyalingam . . . 6589 2 'Suresh Kumar' Thallapuranam . Krishnaswamy . 6589 3 Leena Philominathan . Sagaya-Theresa . 6589 4 Ralph Henry . . . 6589 5 Chin Yu . . . 6589 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . UARK . 6589 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6589 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 107 6589 '15N chemical shifts' 44 6589 '1H chemical shifts' 237 6589 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 . . 2007-02-05 2005-04-12 original author . 6589 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X32 'BMRB Entry Tracking System' 6589 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6589 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16183644 _Citation.Full_citation . _Citation.Title 'Three-dimensional solution structures of the chromodomains of cpSRP43' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _Citation.Journal_issue 50 _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 41465 _Citation.Page_last 41471 _Citation.Year 2005 _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 Vaithiyalingam Sivaraja . . . 6589 1 2 Thallapuranam 'Suresh Kumar' . Krishnaswamy . 6589 1 3 Philominathan Leena . Sagaya-Theresa . 6589 1 4 Anne Chang . . . 6589 1 5 Chitturi Vidya . . . 6589 1 6 Robyn Goforth . L. . 6589 1 7 Dakshinamurthy Rajalingam . . . 6589 1 8 Kannan Arvind . . . 6589 1 9 Jian-Liang Ye . . . 6589 1 10 Jonathan Chou . . . 6589 1 11 Ralph Henry . . . 6589 1 12 Chin Yu . . . 6589 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6589 _Assembly.ID 1 _Assembly.Name 'Chromo domain 1 of cpSRP43' _Assembly.BMRB_code . _Assembly.Number_of_components 0 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Chromo domain 1 of cpSRP43' 1 $Chromo_domain_1_of_cpSRP43 . . yes native no no . . . 6589 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Participates in transport of proteins in the chloroplast' 6589 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Chromo_domain_1_of_cpSRP43 _Entity.Sf_category entity _Entity.Sf_framecode Chromo_domain_1_of_cpSRP43 _Entity.Entry_ID 6589 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Chromo 1' _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 ; GSGEVNKIIGSRTAGEGAME YLIEWKDGHSPSWVPSSYIA ADVVSEY ; _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 47 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 1X32 . "Three Dimensional Solution Structure Of The Chromo1 Domain Of Cpsrp43" . . . . . 97.87 47 100.00 100.00 4.67e-23 . . . . 6589 1 2 no PDB 3DEO . "Structural Basis For Specific Substrate Recognition By The Chloroplast Signal Recognition Particle Protein Cpsrp43" . . . . . 93.62 183 100.00 100.00 8.84e-22 . . . . 6589 1 3 no PDB 3DEP . "Structural Basis For Specific Substrate Recognition By The Chloroplast Signal Recognition Particle Protein Cpsrp43" . . . . . 93.62 183 100.00 100.00 8.84e-22 . . . . 6589 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Involved in transport of protein in the chloroplast' 6589 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 . GLY . 6589 1 2 . SER . 6589 1 3 . GLY . 6589 1 4 . GLU . 6589 1 5 . VAL . 6589 1 6 . ASN . 6589 1 7 . LYS . 6589 1 8 . ILE . 6589 1 9 . ILE . 6589 1 10 . GLY . 6589 1 11 . SER . 6589 1 12 . ARG . 6589 1 13 . THR . 6589 1 14 . ALA . 6589 1 15 . GLY . 6589 1 16 . GLU . 6589 1 17 . GLY . 6589 1 18 . ALA . 6589 1 19 . MET . 6589 1 20 . GLU . 6589 1 21 . TYR . 6589 1 22 . LEU . 6589 1 23 . ILE . 6589 1 24 . GLU . 6589 1 25 . TRP . 6589 1 26 . LYS . 6589 1 27 . ASP . 6589 1 28 . GLY . 6589 1 29 . HIS . 6589 1 30 . SER . 6589 1 31 . PRO . 6589 1 32 . SER . 6589 1 33 . TRP . 6589 1 34 . VAL . 6589 1 35 . PRO . 6589 1 36 . SER . 6589 1 37 . SER . 6589 1 38 . TYR . 6589 1 39 . ILE . 6589 1 40 . ALA . 6589 1 41 . ALA . 6589 1 42 . ASP . 6589 1 43 . VAL . 6589 1 44 . VAL . 6589 1 45 . SER . 6589 1 46 . GLU . 6589 1 47 . TYR . 6589 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6589 1 . SER 2 2 6589 1 . GLY 3 3 6589 1 . GLU 4 4 6589 1 . VAL 5 5 6589 1 . ASN 6 6 6589 1 . LYS 7 7 6589 1 . ILE 8 8 6589 1 . ILE 9 9 6589 1 . GLY 10 10 6589 1 . SER 11 11 6589 1 . ARG 12 12 6589 1 . THR 13 13 6589 1 . ALA 14 14 6589 1 . GLY 15 15 6589 1 . GLU 16 16 6589 1 . GLY 17 17 6589 1 . ALA 18 18 6589 1 . MET 19 19 6589 1 . GLU 20 20 6589 1 . TYR 21 21 6589 1 . LEU 22 22 6589 1 . ILE 23 23 6589 1 . GLU 24 24 6589 1 . TRP 25 25 6589 1 . LYS 26 26 6589 1 . ASP 27 27 6589 1 . GLY 28 28 6589 1 . HIS 29 29 6589 1 . SER 30 30 6589 1 . PRO 31 31 6589 1 . SER 32 32 6589 1 . TRP 33 33 6589 1 . VAL 34 34 6589 1 . PRO 35 35 6589 1 . SER 36 36 6589 1 . SER 37 37 6589 1 . TYR 38 38 6589 1 . ILE 39 39 6589 1 . ALA 40 40 6589 1 . ALA 41 41 6589 1 . ASP 42 42 6589 1 . VAL 43 43 6589 1 . VAL 44 44 6589 1 . SER 45 45 6589 1 . GLU 46 46 6589 1 . TYR 47 47 6589 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 6589 _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 $Chromo_domain_1_of_cpSRP43 . 3702 organism . 'thale cress' 'thale cress' . . Eubacteria Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6589 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 6589 _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 $Chromo_domain_1_of_cpSRP43 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6589 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CD1_-_Chromo_1_domain _Sample.Sf_category sample _Sample.Sf_framecode CD1_-_Chromo_1_domain _Sample.Entry_ID 6589 _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 'CD1 - Chromo domain 1' '[U-15N; U-13C]' . . 1 $Chromo_domain_1_of_cpSRP43 . . 0.75 0.50 0.8 mM 0.01 . . . 6589 1 2 'phosphate buffer' . . . . . . . 100 . . mM . . . . 6589 1 3 NaCl . . . . . . . 100 . . mM . . . . 6589 1 stop_ save_ ####################### # Sample conditions # ####################### save_CD1_sample _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CD1_sample _Sample_condition_list.Entry_ID 6589 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'prepared 100 mM phosphate buffer containing 100 mM NaCl' 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 6.4 0.1 pH 6589 1 temperature 298 0.2 K 6589 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6589 _Software.ID 1 _Software.Name 'XWIN NMR' _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 6589 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700_MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700_MHz_spectrometer _NMR_spectrometer.Entry_ID 6589 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Avance _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6589 _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 '1H15N_HSQC (example)' no 1 $1H_2D_NOESY . . . . . . . . 1 $CD1_-_Chromo_1_domain . . . 1 $CD1_sample . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6589 1 2 '1H 2D NOESY' no 1 $1H_2D_NOESY . . . . . . . . 1 $CD1_-_Chromo_1_domain . . . 1 $CD1_sample . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6589 1 3 '1H 2D TOCSY' no 1 $1H_2D_NOESY . . . . . . . . 1 $CD1_-_Chromo_1_domain . . . 1 $CD1_sample . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6589 1 4 HNCA no 1 $1H_2D_NOESY . . . . . . . . 1 $CD1_-_Chromo_1_domain . . . 1 $CD1_sample . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6589 1 5 HNCOCA no 1 $1H_2D_NOESY . . . . . . . . 1 $CD1_-_Chromo_1_domain . . . 1 $CD1_sample . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6589 1 6 CBCACONH no 1 $1H_2D_NOESY . . . . . . . . 1 $CD1_-_Chromo_1_domain . . . 1 $CD1_sample . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6589 1 7 '3D 15N NOESY-HSQC' no 1 $1H_2D_NOESY . . . . . . . . 1 $CD1_-_Chromo_1_domain . . . 1 $CD1_sample . . . 1 $700_MHz_spectrometer . . . . . . . . . . . . . . . . 6589 1 stop_ save_ save_1H_2D_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H_2D_NOESY _NMR_spec_expt.Entry_ID 6589 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $700_MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6589 _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 . . . 1 $entry_citation . . 1 $entry_citation 6589 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6589 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6589 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6589 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CD1_sample _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $CD1_-_Chromo_1_domain isotropic 6589 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 2 2 SER C C 13 172.4 0.0 . 1 . . . . 2 SER C . 6589 1 2 . 1 1 2 2 SER CA C 13 56.2 0.0 . 1 . . . . 2 SER CA . 6589 1 3 . 1 1 2 2 SER CB C 13 61.0 0.0 . 1 . . . . 2 SER CB . 6589 1 4 . 1 1 3 3 GLY H H 1 8.579 0.0 . 1 . . . . 3 GLY H . 6589 1 5 . 1 1 3 3 GLY HA2 H 1 3.857 0.0 . 2 . . . . 3 GLY HA2 . 6589 1 6 . 1 1 3 3 GLY C C 13 171.5 0.0 . 1 . . . . 3 GLY C . 6589 1 7 . 1 1 3 3 GLY CA C 13 42.94 0.0 . 1 . . . . 3 GLY CA . 6589 1 8 . 1 1 3 3 GLY N N 15 110.98 0.0 . 1 . . . . 3 GLY N . 6589 1 9 . 1 1 4 4 GLU H H 1 8.266 0.0 . 1 . . . . 4 GLU H . 6589 1 10 . 1 1 4 4 GLU HA H 1 4.371 0.0 . 1 . . . . 4 GLU HA . 6589 1 11 . 1 1 4 4 GLU HB2 H 1 1.892 0.0 . 1 . . . . 4 GLU HB2 . 6589 1 12 . 1 1 4 4 GLU HB3 H 1 1.892 0.0 . 1 . . . . 4 GLU HB3 . 6589 1 13 . 1 1 4 4 GLU HG2 H 1 2.109 0.0 . 1 . . . . 4 GLU HG2 . 6589 1 14 . 1 1 4 4 GLU HG3 H 1 2.109 0.0 . 1 . . . . 4 GLU HG3 . 6589 1 15 . 1 1 4 4 GLU CA C 13 53.94 0.0 . 1 . . . . 4 GLU CA . 6589 1 16 . 1 1 4 4 GLU CB C 13 28.01 0.0 . 1 . . . . 4 GLU CB . 6589 1 17 . 1 1 4 4 GLU N N 15 119.282 0.0 . 1 . . . . 4 GLU N . 6589 1 18 . 1 1 5 5 VAL H H 1 8.185 0.0 . 1 . . . . 5 VAL H . 6589 1 19 . 1 1 5 5 VAL HA H 1 3.698 0.0 . 1 . . . . 5 VAL HA . 6589 1 20 . 1 1 5 5 VAL HB H 1 2.009 0.0 . 1 . . . . 5 VAL HB . 6589 1 21 . 1 1 5 5 VAL HG11 H 1 0.552 0.0 . 1 . . . . 5 VAL HG1 . 6589 1 22 . 1 1 5 5 VAL HG12 H 1 0.552 0.0 . 1 . . . . 5 VAL HG1 . 6589 1 23 . 1 1 5 5 VAL HG13 H 1 0.552 0.0 . 1 . . . . 5 VAL HG1 . 6589 1 24 . 1 1 5 5 VAL HG21 H 1 0.552 0.0 . 1 . . . . 5 VAL HG2 . 6589 1 25 . 1 1 5 5 VAL HG22 H 1 0.552 0.0 . 1 . . . . 5 VAL HG2 . 6589 1 26 . 1 1 5 5 VAL HG23 H 1 0.552 0.0 . 1 . . . . 5 VAL HG2 . 6589 1 27 . 1 1 5 5 VAL C C 13 172.8 0.0 . 1 . . . . 5 VAL C . 6589 1 28 . 1 1 5 5 VAL CA C 13 60.02 0.0 . 1 . . . . 5 VAL CA . 6589 1 29 . 1 1 5 5 VAL N N 15 122.016 0.0 . 1 . . . . 5 VAL N . 6589 1 30 . 1 1 6 6 ASN H H 1 8.852 0.0 . 1 . . . . 6 ASN H . 6589 1 31 . 1 1 6 6 ASN HA H 1 3.657 0.0 . 1 . . . . 6 ASN HA . 6589 1 32 . 1 1 6 6 ASN HB2 H 1 2.208 0.0 . 2 . . . . 6 ASN HB2 . 6589 1 33 . 1 1 6 6 ASN HB3 H 1 2.349 0.0 . 2 . . . . 6 ASN HB3 . 6589 1 34 . 1 1 6 6 ASN HD21 H 1 7.08 0.0 . 1 . . . . 6 ASN HD21 . 6589 1 35 . 1 1 6 6 ASN HD22 H 1 7.86 0.0 . 1 . . . . 6 ASN HD22 . 6589 1 36 . 1 1 6 6 ASN CA C 13 51.6 0.0 . 1 . . . . 6 ASN CA . 6589 1 37 . 1 1 6 6 ASN N N 15 124.1 0.0 . 1 . . . . 6 ASN N . 6589 1 38 . 1 1 6 6 ASN ND2 N 15 115.0 0.0 . 1 . . . . 6 ASN ND2 . 6589 1 39 . 1 1 7 7 LYS H H 1 7.531 0.0 . 1 . . . . 7 LYS H . 6589 1 40 . 1 1 7 7 LYS HA H 1 4.27 0.0 . 1 . . . . 7 LYS HA . 6589 1 41 . 1 1 7 7 LYS HB2 H 1 1.448 0.0 . 2 . . . . 7 LYS HB2 . 6589 1 42 . 1 1 7 7 LYS HB3 H 1 1.618 0.0 . 2 . . . . 7 LYS HB3 . 6589 1 43 . 1 1 7 7 LYS HG2 H 1 1.083 0.0 . 1 . . . . 7 LYS HG2 . 6589 1 44 . 1 1 7 7 LYS HG3 H 1 1.083 0.0 . 1 . . . . 7 LYS HG3 . 6589 1 45 . 1 1 7 7 LYS C C 13 171.1 0.0 . 1 . . . . 7 LYS C . 6589 1 46 . 1 1 7 7 LYS CA C 13 52.53 0.0 . 1 . . . . 7 LYS CA . 6589 1 47 . 1 1 7 7 LYS CB C 13 32.8 0.0 . 1 . . . . 7 LYS CB . 6589 1 48 . 1 1 7 7 LYS N N 15 116.137 0.0 . 1 . . . . 7 LYS N . 6589 1 49 . 1 1 8 8 ILE H H 1 8.852 0.0 . 1 . . . . 8 ILE H . 6589 1 50 . 1 1 8 8 ILE HA H 1 4.052 0.0 . 1 . . . . 8 ILE HA . 6589 1 51 . 1 1 8 8 ILE HB H 1 1.428 0.0 . 1 . . . . 8 ILE HB . 6589 1 52 . 1 1 8 8 ILE HG21 H 1 0.691 0.0 . 1 . . . . 8 ILE HG21 . 6589 1 53 . 1 1 8 8 ILE HG22 H 1 0.691 0.0 . 1 . . . . 8 ILE HG22 . 6589 1 54 . 1 1 8 8 ILE HG23 H 1 0.691 0.0 . 1 . . . . 8 ILE HG23 . 6589 1 55 . 1 1 8 8 ILE C C 13 174.3 0.0 . 1 . . . . 8 ILE C . 6589 1 56 . 1 1 8 8 ILE CA C 13 59.01 0.0 . 1 . . . . 8 ILE CA . 6589 1 57 . 1 1 8 8 ILE CB C 13 35.7 0.0 . 1 . . . . 8 ILE CB . 6589 1 58 . 1 1 8 8 ILE N N 15 122.973 0.0 . 1 . . . . 8 ILE N . 6589 1 59 . 1 1 9 9 ILE H H 1 8.866 0.0 . 1 . . . . 9 ILE H . 6589 1 60 . 1 1 9 9 ILE HA H 1 4.406 0.0 . 1 . . . . 9 ILE HA . 6589 1 61 . 1 1 9 9 ILE HB H 1 1.873 0.0 . 1 . . . . 9 ILE HB . 6589 1 62 . 1 1 9 9 ILE HG21 H 1 0.551 0.0 . 1 . . . . 9 ILE HG21 . 6589 1 63 . 1 1 9 9 ILE HG22 H 1 0.551 0.0 . 1 . . . . 9 ILE HG22 . 6589 1 64 . 1 1 9 9 ILE HG23 H 1 0.551 0.0 . 1 . . . . 9 ILE HG23 . 6589 1 65 . 1 1 9 9 ILE C C 13 172.8 0.0 . 1 . . . . 9 ILE C . 6589 1 66 . 1 1 9 9 ILE CA C 13 58.74 0.0 . 1 . . . . 9 ILE CA . 6589 1 67 . 1 1 9 9 ILE CB C 13 36.13 0.0 . 1 . . . . 9 ILE CB . 6589 1 68 . 1 1 9 9 ILE N N 15 120.512 0.0 . 1 . . . . 9 ILE N . 6589 1 69 . 1 1 10 10 GLY H H 1 7.286 0.0 . 1 . . . . 10 GLY H . 6589 1 70 . 1 1 10 10 GLY HA2 H 1 4.098 0.0 . 2 . . . . 10 GLY HA1 . 6589 1 71 . 1 1 10 10 GLY HA3 H 1 3.763 0.0 . 2 . . . . 10 GLY HA2 . 6589 1 72 . 1 1 10 10 GLY C C 13 168.4 0.0 . 1 . . . . 10 GLY C . 6589 1 73 . 1 1 10 10 GLY CA C 13 42.99 0.0 . 1 . . . . 10 GLY CA . 6589 1 74 . 1 1 10 10 GLY N N 15 109.573 0.0 . 1 . . . . 10 GLY N . 6589 1 75 . 1 1 11 11 SER H H 1 8.566 0.0 . 1 . . . . 11 SER H . 6589 1 76 . 1 1 11 11 SER HA H 1 5.66 0.0 . 1 . . . . 11 SER HA . 6589 1 77 . 1 1 11 11 SER HB2 H 1 3.78 0.0 . 1 . . . . 11 SER HB2 . 6589 1 78 . 1 1 11 11 SER HB3 H 1 3.78 0.0 . 1 . . . . 11 SER HB3 . 6589 1 79 . 1 1 11 11 SER C C 13 169.6 0.0 . 1 . . . . 11 SER C . 6589 1 80 . 1 1 11 11 SER CA C 13 54.98 0.0 . 1 . . . . 11 SER CA . 6589 1 81 . 1 1 11 11 SER CB C 13 64.29 0.0 . 1 . . . . 11 SER CB . 6589 1 82 . 1 1 11 11 SER N N 15 113.539 0.0 . 1 . . . . 11 SER N . 6589 1 83 . 1 1 12 12 ARG H H 1 8.879 0.0 . 1 . . . . 12 ARG H . 6589 1 84 . 1 1 12 12 ARG HA H 1 4.98 0.0 . 1 . . . . 12 ARG HA . 6589 1 85 . 1 1 12 12 ARG HB2 H 1 1.812 0.0 . 2 . . . . 12 ARG HB2 . 6589 1 86 . 1 1 12 12 ARG HB3 H 1 1.607 0.0 . 2 . . . . 12 ARG HB3 . 6589 1 87 . 1 1 12 12 ARG HG2 H 1 1.491 0.0 . 1 . . . . 12 ARG HG2 . 6589 1 88 . 1 1 12 12 ARG HG3 H 1 1.491 0.0 . 1 . . . . 12 ARG HG3 . 6589 1 89 . 1 1 12 12 ARG C C 13 170.5 0.0 . 1 . . . . 12 ARG C . 6589 1 90 . 1 1 12 12 ARG CA C 13 52.03 0.0 . 1 . . . . 12 ARG CA . 6589 1 91 . 1 1 12 12 ARG CB C 13 29.37 0.0 . 1 . . . . 12 ARG CB . 6589 1 92 . 1 1 12 12 ARG N N 15 118.051 0.0 . 1 . . . . 12 ARG N . 6589 1 93 . 1 1 13 13 THR H H 1 8.215 0.0 . 1 . . . . 13 THR H . 6589 1 94 . 1 1 13 13 THR HA H 1 4.637 0.0 . 1 . . . . 13 THR HA . 6589 1 95 . 1 1 13 13 THR HB H 1 4.003 0.0 . 1 . . . . 13 THR HB . 6589 1 96 . 1 1 13 13 THR HG21 H 1 1.046 0.0 . 1 . . . . 13 THR HG1 . 6589 1 97 . 1 1 13 13 THR HG22 H 1 1.046 0.0 . 1 . . . . 13 THR HG1 . 6589 1 98 . 1 1 13 13 THR HG23 H 1 1.046 0.0 . 1 . . . . 13 THR HG1 . 6589 1 99 . 1 1 13 13 THR C C 13 171.4 0.0 . 1 . . . . 13 THR C . 6589 1 100 . 1 1 13 13 THR CA C 13 59.01 0.0 . 1 . . . . 13 THR CA . 6589 1 101 . 1 1 13 13 THR CB C 13 67.13 0.0 . 1 . . . . 13 THR CB . 6589 1 102 . 1 1 13 13 THR N N 15 114.6 0.0 . 1 . . . . 13 THR N . 6589 1 103 . 1 1 14 14 ALA H H 1 8.416 0.0 . 1 . . . . 14 ALA H . 6589 1 104 . 1 1 14 14 ALA HA H 1 4.36 0.0 . 1 . . . . 14 ALA HA . 6589 1 105 . 1 1 14 14 ALA HB1 H 1 1.02 0.0 . 1 . . . . 14 ALA HB1 . 6589 1 106 . 1 1 14 14 ALA HB2 H 1 1.02 0.0 . 1 . . . . 14 ALA HB2 . 6589 1 107 . 1 1 14 14 ALA HB3 H 1 1.02 0.0 . 1 . . . . 14 ALA HB3 . 6589 1 108 . 1 1 14 14 ALA C C 13 174.1 0.0 . 1 . . . . 14 ALA C . 6589 1 109 . 1 1 14 14 ALA CA C 13 48.11 0.0 . 1 . . . . 14 ALA CA . 6589 1 110 . 1 1 14 14 ALA CB C 13 17.2 0.0 . 1 . . . . 14 ALA CB . 6589 1 111 . 1 1 14 14 ALA N N 15 128.853 0.0 . 1 . . . . 14 ALA N . 6589 1 112 . 1 1 15 15 GLY H H 1 8.089 0.0 . 1 . . . . 15 GLY H . 6589 1 113 . 1 1 15 15 GLY HA2 H 1 3.68 0.0 . 2 . . . . 15 GLY HA1 . 6589 1 114 . 1 1 15 15 GLY HA3 H 1 3.88 0.0 . 2 . . . . 15 GLY HA2 . 6589 1 115 . 1 1 15 15 GLY C C 13 171.5 0.0 . 1 . . . . 15 GLY C . 6589 1 116 . 1 1 15 15 GLY CA C 13 42.66 0.0 . 1 . . . . 15 GLY CA . 6589 1 117 . 1 1 15 15 GLY N N 15 108.753 0.0 . 1 . . . . 15 GLY N . 6589 1 118 . 1 1 16 16 GLU H H 1 8.553 0.0 . 1 . . . . 16 GLU H . 6589 1 119 . 1 1 16 16 GLU HA H 1 3.935 0.0 . 1 . . . . 16 GLU HA . 6589 1 120 . 1 1 16 16 GLU HB2 H 1 1.946 0.0 . 1 . . . . 16 GLU HB2 . 6589 1 121 . 1 1 16 16 GLU HB3 H 1 1.946 0.0 . 1 . . . . 16 GLU HB3 . 6589 1 122 . 1 1 16 16 GLU HG2 H 1 2.134 0.0 . 1 . . . . 16 GLU HG2 . 6589 1 123 . 1 1 16 16 GLU HG3 H 1 2.134 0.0 . 1 . . . . 16 GLU HG3 . 6589 1 124 . 1 1 16 16 GLU C C 13 174.5 0.0 . 1 . . . . 16 GLU C . 6589 1 125 . 1 1 16 16 GLU CA C 13 54.21 0.0 . 1 . . . . 16 GLU CA . 6589 1 126 . 1 1 16 16 GLU CB C 13 25.73 0.0 . 1 . . . . 16 GLU CB . 6589 1 127 . 1 1 16 16 GLU N N 15 120.239 0.0 . 1 . . . . 16 GLU N . 6589 1 128 . 1 1 17 17 GLY H H 1 8.321 0.0 . 1 . . . . 17 GLY H . 6589 1 129 . 1 1 17 17 GLY HA2 H 1 3.581 0.0 . 2 . . . . 17 GLY HA1 . 6589 1 130 . 1 1 17 17 GLY HA3 H 1 3.97 0.0 . 2 . . . . 17 GLY HA2 . 6589 1 131 . 1 1 17 17 GLY C C 13 170.9 0.0 . 1 . . . . 17 GLY C . 6589 1 132 . 1 1 17 17 GLY CA C 13 42.91 0.0 . 1 . . . . 17 GLY CA . 6589 1 133 . 1 1 17 17 GLY N N 15 109.573 0.0 . 1 . . . . 17 GLY N . 6589 1 134 . 1 1 18 18 ALA H H 1 7.572 0.0 . 1 . . . . 18 ALA H . 6589 1 135 . 1 1 18 18 ALA HA H 1 4.452 0.0 . 1 . . . . 18 ALA HA . 6589 1 136 . 1 1 18 18 ALA HB1 H 1 1.238 0.0 . 1 . . . . 18 ALA HB1 . 6589 1 137 . 1 1 18 18 ALA HB2 H 1 1.238 0.0 . 1 . . . . 18 ALA HB2 . 6589 1 138 . 1 1 18 18 ALA HB3 H 1 1.238 0.0 . 1 . . . . 18 ALA HB3 . 6589 1 139 . 1 1 18 18 ALA C C 13 173.5 0.0 . 1 . . . . 18 ALA C . 6589 1 140 . 1 1 18 18 ALA CA C 13 48.87 0.0 . 1 . . . . 18 ALA CA . 6589 1 141 . 1 1 18 18 ALA CB C 13 17.5 0.0 . 1 . . . . 18 ALA CB . 6589 1 142 . 1 1 18 18 ALA N N 15 123.247 0.0 . 1 . . . . 18 ALA N . 6589 1 143 . 1 1 19 19 MET H H 1 8.457 0.0 . 1 . . . . 19 MET H . 6589 1 144 . 1 1 19 19 MET HA H 1 4.943 0.0 . 1 . . . . 19 MET HA . 6589 1 145 . 1 1 19 19 MET HB2 H 1 1.636 0.0 . 2 . . . . 19 MET HB2 . 6589 1 146 . 1 1 19 19 MET HB3 H 1 1.783 0.0 . 2 . . . . 19 MET HB3 . 6589 1 147 . 1 1 19 19 MET HG2 H 1 2.229 0.0 . 2 . . . . 19 MET HG2 . 6589 1 148 . 1 1 19 19 MET HG3 H 1 2.369 0.0 . 2 . . . . 19 MET HG3 . 6589 1 149 . 1 1 19 19 MET C C 13 173.3 0.0 . 1 . . . . 19 MET C . 6589 1 150 . 1 1 19 19 MET CA C 13 51.33 0.0 . 1 . . . . 19 MET CA . 6589 1 151 . 1 1 19 19 MET CB C 13 31.67 0.0 . 1 . . . . 19 MET CB . 6589 1 152 . 1 1 19 19 MET N N 15 120.5 0.0 . 1 . . . . 19 MET N . 6589 1 153 . 1 1 20 20 GLU H H 1 8.553 0.0 . 1 . . . . 20 GLU H . 6589 1 154 . 1 1 20 20 GLU HA H 1 4.813 0.0 . 1 . . . . 20 GLU HA . 6589 1 155 . 1 1 20 20 GLU HB2 H 1 1.946 0.0 . 1 . . . . 20 GLU HB2 . 6589 1 156 . 1 1 20 20 GLU HB3 H 1 1.946 0.0 . 1 . . . . 20 GLU HB3 . 6589 1 157 . 1 1 20 20 GLU HG2 H 1 2.134 0.0 . 1 . . . . 20 GLU HG2 . 6589 1 158 . 1 1 20 20 GLU HG3 H 1 2.134 0.0 . 1 . . . . 20 GLU HG3 . 6589 1 159 . 1 1 20 20 GLU C C 13 171.9 0.0 . 1 . . . . 20 GLU C . 6589 1 160 . 1 1 20 20 GLU CA C 13 51.4 0.0 . 1 . . . . 20 GLU CA . 6589 1 161 . 1 1 20 20 GLU CB C 13 32.02 0.0 . 1 . . . . 20 GLU CB . 6589 1 162 . 1 1 20 20 GLU N N 15 121.5 0.0 . 1 . . . . 20 GLU N . 6589 1 163 . 1 1 21 21 TYR H H 1 9.029 0.0 . 1 . . . . 21 TYR H . 6589 1 164 . 1 1 21 21 TYR HA H 1 5.196 0.0 . 1 . . . . 21 TYR HA . 6589 1 165 . 1 1 21 21 TYR HB2 H 1 2.295 0.0 . 2 . . . . 21 TYR HB2 . 6589 1 166 . 1 1 21 21 TYR HB3 H 1 2.8 0.0 . 2 . . . . 21 TYR HB3 . 6589 1 167 . 1 1 21 21 TYR HD1 H 1 6.966 0.0 . 1 . . . . 21 TYR HD1 . 6589 1 168 . 1 1 21 21 TYR HD2 H 1 6.966 0.0 . 1 . . . . 21 TYR HD2 . 6589 1 169 . 1 1 21 21 TYR HE1 H 1 6.71 0.0 . 1 . . . . 21 TYR HE1 . 6589 1 170 . 1 1 21 21 TYR HE2 H 1 6.71 0.0 . 1 . . . . 21 TYR HE2 . 6589 1 171 . 1 1 21 21 TYR C C 13 170.3 0.0 . 1 . . . . 21 TYR C . 6589 1 172 . 1 1 21 21 TYR CA C 13 53.67 0.0 . 1 . . . . 21 TYR CA . 6589 1 173 . 1 1 21 21 TYR CB C 13 39.62 0.0 . 1 . . . . 21 TYR CB . 6589 1 174 . 1 1 21 21 TYR N N 15 117.504 0.0 . 1 . . . . 21 TYR N . 6589 1 175 . 1 1 22 22 LEU H H 1 7.681 0.0 . 1 . . . . 22 LEU H . 6589 1 176 . 1 1 22 22 LEU HA H 1 3.439 0.0 . 1 . . . . 22 LEU HA . 6589 1 177 . 1 1 22 22 LEU HD11 H 1 0.448 0.0 . 1 . . . . 22 LEU HD11 . 6589 1 178 . 1 1 22 22 LEU HD12 H 1 0.448 0.0 . 1 . . . . 22 LEU HD12 . 6589 1 179 . 1 1 22 22 LEU HD13 H 1 0.448 0.0 . 1 . . . . 22 LEU HD13 . 6589 1 180 . 1 1 22 22 LEU HD21 H 1 0.448 0.0 . 1 . . . . 22 LEU HD21 . 6589 1 181 . 1 1 22 22 LEU HD22 H 1 0.448 0.0 . 1 . . . . 22 LEU HD22 . 6589 1 182 . 1 1 22 22 LEU HD23 H 1 0.448 0.0 . 1 . . . . 22 LEU HD23 . 6589 1 183 . 1 1 22 22 LEU C C 13 171.5 0.0 . 1 . . . . 22 LEU C . 6589 1 184 . 1 1 22 22 LEU CA C 13 50.24 0.0 . 1 . . . . 22 LEU CA . 6589 1 185 . 1 1 22 22 LEU CB C 13 37.17 0.0 . 1 . . . . 22 LEU CB . 6589 1 186 . 1 1 22 22 LEU N N 15 127.349 0.0 . 1 . . . . 22 LEU N . 6589 1 187 . 1 1 23 23 ILE H H 1 8.103 0.0 . 1 . . . . 23 ILE H . 6589 1 188 . 1 1 23 23 ILE HA H 1 3.989 0.0 . 1 . . . . 23 ILE HA . 6589 1 189 . 1 1 23 23 ILE HG21 H 1 0.883 0.0 . 1 . . . . 23 ILE HG21 . 6589 1 190 . 1 1 23 23 ILE HG22 H 1 0.883 0.0 . 1 . . . . 23 ILE HG22 . 6589 1 191 . 1 1 23 23 ILE HG23 H 1 0.883 0.0 . 1 . . . . 23 ILE HG23 . 6589 1 192 . 1 1 23 23 ILE CA C 13 54.98 0.0 . 1 . . . . 23 ILE CA . 6589 1 193 . 1 1 23 23 ILE N N 15 126.93 0.0 . 1 . . . . 23 ILE N . 6589 1 194 . 1 1 25 25 TRP HD1 H 1 6.82 0.0 . 1 . . . . 25 TRP HD1 . 6589 1 195 . 1 1 25 25 TRP HE1 H 1 9.65 0.0 . 1 . . . . 25 TRP HE . 6589 1 196 . 1 1 25 25 TRP HZ2 H 1 7.413 0.0 . 1 . . . . 25 TRP HZ2 . 6589 1 197 . 1 1 25 25 TRP HZ3 H 1 6.79 0.0 . 1 . . . . 25 TRP HZ3 . 6589 1 198 . 1 1 25 25 TRP HH2 H 1 6.889 0.0 . 1 . . . . 25 TRP HH2 . 6589 1 199 . 1 1 25 25 TRP CA C 13 53.2 0.0 . 1 . . . . 25 TRP CA . 6589 1 200 . 1 1 25 25 TRP CB C 13 28.34 0.0 . 1 . . . . 25 TRP CB . 6589 1 201 . 1 1 25 25 TRP NE1 N 15 129.1 0.0 . 1 . . . . 25 TRP NE1 . 6589 1 202 . 1 1 26 26 LYS H H 1 9.03 0.0 . 1 . . . . 26 LYS H . 6589 1 203 . 1 1 26 26 LYS HA H 1 4.024 0.0 . 1 . . . . 26 LYS HA . 6589 1 204 . 1 1 26 26 LYS HB2 H 1 1.69 0.0 . 1 . . . . 26 LYS HB2 . 6589 1 205 . 1 1 26 26 LYS HB3 H 1 1.69 0.0 . 1 . . . . 26 LYS HB3 . 6589 1 206 . 1 1 26 26 LYS C C 13 174.2 0.0 . 1 . . . . 26 LYS C . 6589 1 207 . 1 1 26 26 LYS N N 15 124.5 0.0 . 1 . . . . 26 LYS N . 6589 1 208 . 1 1 27 27 ASP H H 1 8.31 0.0 . 1 . . . . 27 ASP H . 6589 1 209 . 1 1 27 27 ASP HA H 1 4.43 0.0 . 1 . . . . 27 ASP HA . 6589 1 210 . 1 1 27 27 ASP HB2 H 1 2.607 0.0 . 2 . . . . 27 ASP HB2 . 6589 1 211 . 1 1 27 27 ASP HB3 H 1 3.012 0.0 . 2 . . . . 27 ASP HB3 . 6589 1 212 . 1 1 27 27 ASP C C 13 174.8 0.0 . 1 . . . . 27 ASP C . 6589 1 213 . 1 1 27 27 ASP CA C 13 50.94 0.0 . 1 . . . . 27 ASP CA . 6589 1 214 . 1 1 27 27 ASP CB C 13 37.49 0.0 . 1 . . . . 27 ASP CB . 6589 1 215 . 1 1 27 27 ASP N N 15 116.3 0.0 . 1 . . . . 27 ASP N . 6589 1 216 . 1 1 28 28 GLY H H 1 7.789 0.0 . 1 . . . . 28 GLY H . 6589 1 217 . 1 1 28 28 GLY HA2 H 1 3.72 0.0 . 2 . . . . 28 GLY HA1 . 6589 1 218 . 1 1 28 28 GLY HA3 H 1 4.102 0.0 . 2 . . . . 28 GLY HA2 . 6589 1 219 . 1 1 28 28 GLY C C 13 172.3 0.0 . 1 . . . . 28 GLY C . 6589 1 220 . 1 1 28 28 GLY CA C 13 42.77 0.0 . 1 . . . . 28 GLY CA . 6589 1 221 . 1 1 28 28 GLY N N 15 106.6 0.0 . 1 . . . . 28 GLY N . 6589 1 222 . 1 1 29 29 HIS H H 1 7.9 0.0 . 1 . . . . 29 HIS H . 6589 1 223 . 1 1 29 29 HIS HA H 1 4.443 0.0 . 1 . . . . 29 HIS HA . 6589 1 224 . 1 1 29 29 HIS HB2 H 1 2.881 0.0 . 2 . . . . 29 HIS HB2 . 6589 1 225 . 1 1 29 29 HIS HB3 H 1 3.167 0.0 . 2 . . . . 29 HIS HB3 . 6589 1 226 . 1 1 29 29 HIS HD2 H 1 7.031 0.0 . 1 . . . . 29 HIS HD2 . 6589 1 227 . 1 1 29 29 HIS HE1 H 1 8.061 0.0 . 1 . . . . 29 HIS HE1 . 6589 1 228 . 1 1 29 29 HIS C C 13 171.2 0.0 . 1 . . . . 29 HIS C . 6589 1 229 . 1 1 29 29 HIS CA C 13 53.72 0.0 . 1 . . . . 29 HIS CA . 6589 1 230 . 1 1 29 29 HIS CB C 13 24.88 0.0 . 1 . . . . 29 HIS CB . 6589 1 231 . 1 1 29 29 HIS N N 15 119.4 0.0 . 1 . . . . 29 HIS N . 6589 1 232 . 1 1 30 30 SER H H 1 8.457 0.0 . 1 . . . . 30 SER H . 6589 1 233 . 1 1 30 30 SER HA H 1 3.863 0.0 . 1 . . . . 30 SER HA . 6589 1 234 . 1 1 30 30 SER HB2 H 1 3.763 0.0 . 1 . . . . 30 SER HB2 . 6589 1 235 . 1 1 30 30 SER HB3 H 1 3.763 0.0 . 1 . . . . 30 SER HB3 . 6589 1 236 . 1 1 30 30 SER CA C 13 55.36 0.0 . 1 . . . . 30 SER CA . 6589 1 237 . 1 1 30 30 SER CB C 13 59.99 0.0 . 1 . . . . 30 SER CB . 6589 1 238 . 1 1 30 30 SER N N 15 118.4 0.0 . 1 . . . . 30 SER N . 6589 1 239 . 1 1 31 31 PRO HA H 1 4.89 0.0 . 1 . . . . 31 PRO HA . 6589 1 240 . 1 1 31 31 PRO HD2 H 1 3.531 0.0 . 1 . . . . 31 PRO HD2 . 6589 1 241 . 1 1 31 31 PRO HD3 H 1 3.531 0.0 . 1 . . . . 31 PRO HD3 . 6589 1 242 . 1 1 31 31 PRO C C 13 173.8 0.0 . 1 . . . . 31 PRO C . 6589 1 243 . 1 1 31 31 PRO CA C 13 61.65 0.0 . 1 . . . . 31 PRO CA . 6589 1 244 . 1 1 31 31 PRO CB C 13 29.56 0.0 . 1 . . . . 31 PRO CB . 6589 1 245 . 1 1 32 32 SER H H 1 7.692 0.0 . 1 . . . . 32 SER H . 6589 1 246 . 1 1 32 32 SER HA H 1 4.649 0.0 . 1 . . . . 32 SER HA . 6589 1 247 . 1 1 32 32 SER C C 13 169.4 0.0 . 1 . . . . 32 SER C . 6589 1 248 . 1 1 32 32 SER CA C 13 54.11 0.0 . 1 . . . . 32 SER CA . 6589 1 249 . 1 1 32 32 SER CB C 13 62.99 0.0 . 1 . . . . 32 SER CB . 6589 1 250 . 1 1 32 32 SER N N 15 115.4 0.0 . 1 . . . . 32 SER N . 6589 1 251 . 1 1 33 33 TRP H H 1 8.396 0.0 . 1 . . . . 33 TRP H . 6589 1 252 . 1 1 33 33 TRP HA H 1 5.118 0.0 . 1 . . . . 33 TRP HA . 6589 1 253 . 1 1 33 33 TRP HB2 H 1 2.718 0.0 . 2 . . . . 33 TRP HB2 . 6589 1 254 . 1 1 33 33 TRP HB3 H 1 2.853 0.0 . 2 . . . . 33 TRP HB3 . 6589 1 255 . 1 1 33 33 TRP HD1 H 1 7.143 0.0 . 1 . . . . 33 TRP HD1 . 6589 1 256 . 1 1 33 33 TRP HE1 H 1 9.93 0.0 . 1 . . . . 33 TRP HE1 . 6589 1 257 . 1 1 33 33 TRP HZ2 H 1 7.25 0.0 . 1 . . . . 33 TRP HZ2 . 6589 1 258 . 1 1 33 33 TRP HZ3 H 1 6.4 0.0 . 1 . . . . 33 TRP HZ3 . 6589 1 259 . 1 1 33 33 TRP HH2 H 1 6.72 0.0 . 1 . . . . 33 TRP HH2 . 6589 1 260 . 1 1 33 33 TRP CA C 13 53.97 0.0 . 1 . . . . 33 TRP CA . 6589 1 261 . 1 1 33 33 TRP CB C 13 27.5 0.0 . 1 . . . . 33 TRP CB . 6589 1 262 . 1 1 33 33 TRP N N 15 122.3 0.0 . 1 . . . . 33 TRP N . 6589 1 263 . 1 1 33 33 TRP NE1 N 15 129.44 0.0 . 1 . . . . 33 TRP NE1 . 6589 1 264 . 1 1 34 34 VAL HA H 1 4.9 0.0 . 1 . . . . 34 VAL HA . 6589 1 265 . 1 1 34 34 VAL HB H 1 1.96 0.0 . 1 . . . . 34 VAL HB . 6589 1 266 . 1 1 34 34 VAL HG11 H 1 0.84 0.0 . 1 . . . . 34 VAL HG1 . 6589 1 267 . 1 1 34 34 VAL HG12 H 1 0.84 0.0 . 1 . . . . 34 VAL HG1 . 6589 1 268 . 1 1 34 34 VAL HG13 H 1 0.84 0.0 . 1 . . . . 34 VAL HG1 . 6589 1 269 . 1 1 34 34 VAL HG21 H 1 0.84 0.0 . 1 . . . . 34 VAL HG2 . 6589 1 270 . 1 1 34 34 VAL HG22 H 1 0.84 0.0 . 1 . . . . 34 VAL HG2 . 6589 1 271 . 1 1 34 34 VAL HG23 H 1 0.84 0.0 . 1 . . . . 34 VAL HG2 . 6589 1 272 . 1 1 34 34 VAL N N 15 120.0 0.0 . 1 . . . . 34 VAL N . 6589 1 273 . 1 1 35 35 PRO HB2 H 1 2.71 0.0 . 1 . . . . 35 PRO HB2 . 6589 1 274 . 1 1 35 35 PRO HB3 H 1 2.71 0.0 . 1 . . . . 35 PRO HB3 . 6589 1 275 . 1 1 35 35 PRO HG2 H 1 1.46 0.0 . 2 . . . . 35 PRO HG2 . 6589 1 276 . 1 1 35 35 PRO HG3 H 1 1.64 0.0 . 2 . . . . 35 PRO HG3 . 6589 1 277 . 1 1 36 36 SER H H 1 8.286 0.0 . 1 . . . . 36 SER H . 6589 1 278 . 1 1 36 36 SER HA H 1 3.997 0.0 . 1 . . . . 36 SER HA . 6589 1 279 . 1 1 36 36 SER HB3 H 1 3.739 0.0 . 2 . . . . 36 SER HB3 . 6589 1 280 . 1 1 36 36 SER C C 13 173.4 0.0 . 1 . . . . 36 SER C . 6589 1 281 . 1 1 36 36 SER CA C 13 58.87 0.0 . 1 . . . . 36 SER CA . 6589 1 282 . 1 1 36 36 SER CB C 13 60.07 0.0 . 1 . . . . 36 SER CB . 6589 1 283 . 1 1 36 36 SER N N 15 116.1 0.0 . 1 . . . . 36 SER N . 6589 1 284 . 1 1 37 37 SER H H 1 7.984 0.0 . 1 . . . . 37 SER H . 6589 1 285 . 1 1 37 37 SER HB2 H 1 3.837 0.0 . 1 . . . . 37 SER HB2 . 6589 1 286 . 1 1 37 37 SER HB3 H 1 3.837 0.0 . 1 . . . . 37 SER HB3 . 6589 1 287 . 1 1 37 37 SER C C 13 172.5 0.0 . 1 . . . . 37 SER C . 6589 1 288 . 1 1 37 37 SER CA C 13 57.13 0.0 . 1 . . . . 37 SER CA . 6589 1 289 . 1 1 37 37 SER CB C 13 59.74 0.0 . 1 . . . . 37 SER CB . 6589 1 290 . 1 1 37 37 SER N N 15 114.8 0.0 . 2 . . . . 37 SER N . 6589 1 291 . 1 1 38 38 TYR H H 1 8.059 0.0 . 1 . . . . 38 TYR H . 6589 1 292 . 1 1 38 38 TYR HA H 1 4.226 0.0 . 1 . . . . 38 TYR HA . 6589 1 293 . 1 1 38 38 TYR HB2 H 1 3.06 0.0 . 2 . . . . 38 TYR HB2 . 6589 1 294 . 1 1 38 38 TYR HB3 H 1 3.125 0.0 . 2 . . . . 38 TYR HB3 . 6589 1 295 . 1 1 38 38 TYR HD1 H 1 6.997 0.0 . 1 . . . . 38 TYR HD1 . 6589 1 296 . 1 1 38 38 TYR HD2 H 1 6.997 0.0 . 1 . . . . 38 TYR HD2 . 6589 1 297 . 1 1 38 38 TYR HE1 H 1 6.778 0.0 . 1 . . . . 38 TYR HE1 . 6589 1 298 . 1 1 38 38 TYR HE2 H 1 6.778 0.0 . 1 . . . . 38 TYR HE2 . 6589 1 299 . 1 1 38 38 TYR CA C 13 57.07 0.0 . 1 . . . . 38 TYR CA . 6589 1 300 . 1 1 38 38 TYR N N 15 122.6 0.0 . 1 . . . . 38 TYR N . 6589 1 301 . 1 1 39 39 ILE H H 1 7.238 0.0 . 1 . . . . 39 ILE H . 6589 1 302 . 1 1 39 39 ILE HA H 1 4.066 0.0 . 1 . . . . 39 ILE HA . 6589 1 303 . 1 1 39 39 ILE HB H 1 1.886 0.0 . 1 . . . . 39 ILE HB . 6589 1 304 . 1 1 39 39 ILE HG21 H 1 0.714 0.0 . 1 . . . . 39 ILE HG21 . 6589 1 305 . 1 1 39 39 ILE HG22 H 1 0.714 0.0 . 1 . . . . 39 ILE HG22 . 6589 1 306 . 1 1 39 39 ILE HG23 H 1 0.714 0.0 . 1 . . . . 39 ILE HG23 . 6589 1 307 . 1 1 39 39 ILE C C 13 172.5 0.0 . 1 . . . . 39 ILE C . 6589 1 308 . 1 1 39 39 ILE N N 15 115.1 0.0 . 1 . . . . 39 ILE N . 6589 1 309 . 1 1 40 40 ALA H H 1 7.89 0.0 . 1 . . . . 40 ALA H . 6589 1 310 . 1 1 40 40 ALA HA H 1 4.021 0.0 . 1 . . . . 40 ALA HA . 6589 1 311 . 1 1 40 40 ALA HB1 H 1 1.304 0.0 . 1 . . . . 40 ALA HB1 . 6589 1 312 . 1 1 40 40 ALA HB2 H 1 1.304 0.0 . 1 . . . . 40 ALA HB2 . 6589 1 313 . 1 1 40 40 ALA HB3 H 1 1.304 0.0 . 1 . . . . 40 ALA HB3 . 6589 1 314 . 1 1 40 40 ALA C C 13 174.8 0.0 . 1 . . . . 40 ALA C . 6589 1 315 . 1 1 40 40 ALA CA C 13 49.8 0.0 . 1 . . . . 40 ALA CA . 6589 1 316 . 1 1 40 40 ALA CB C 13 16.66 0.0 . 1 . . . . 40 ALA CB . 6589 1 317 . 1 1 40 40 ALA N N 15 126.9 0.0 . 1 . . . . 40 ALA N . 6589 1 318 . 1 1 41 41 ALA H H 1 8.109 0.0 . 1 . . . . 41 ALA H . 6589 1 319 . 1 1 41 41 ALA HA H 1 4.121 0.0 . 1 . . . . 41 ALA HA . 6589 1 320 . 1 1 41 41 ALA HB1 H 1 1.281 0.0 . 1 . . . . 41 ALA HB1 . 6589 1 321 . 1 1 41 41 ALA HB2 H 1 1.281 0.0 . 1 . . . . 41 ALA HB2 . 6589 1 322 . 1 1 41 41 ALA HB3 H 1 1.281 0.0 . 1 . . . . 41 ALA HB3 . 6589 1 323 . 1 1 41 41 ALA CA C 13 50.15 0.0 . 1 . . . . 41 ALA CA . 6589 1 324 . 1 1 41 41 ALA CB C 13 16.3 0.0 . 1 . . . . 41 ALA CB . 6589 1 325 . 1 1 41 41 ALA N N 15 122.7 0.0 . 1 . . . . 41 ALA N . 6589 1 326 . 1 1 42 42 ASP H H 1 8.161 0.0 . 1 . . . . 42 ASP H . 6589 1 327 . 1 1 42 42 ASP HA H 1 4.429 0.0 . 1 . . . . 42 ASP HA . 6589 1 328 . 1 1 42 42 ASP HB2 H 1 2.521 0.0 . 1 . . . . 42 ASP HB2 . 6589 1 329 . 1 1 42 42 ASP HB3 H 1 2.521 0.0 . 1 . . . . 42 ASP HB3 . 6589 1 330 . 1 1 42 42 ASP C C 13 173.4 0.0 . 1 . . . . 42 ASP C . 6589 1 331 . 1 1 42 42 ASP CA C 13 51.68 0.0 . 1 . . . . 42 ASP CA . 6589 1 332 . 1 1 42 42 ASP CB C 13 37.9 0.0 . 1 . . . . 42 ASP CB . 6589 1 333 . 1 1 42 42 ASP N N 15 117.4 0.0 . 1 . . . . 42 ASP N . 6589 1 334 . 1 1 43 43 VAL H H 1 7.69 0.0 . 1 . . . . 43 VAL H . 6589 1 335 . 1 1 43 43 VAL HA H 1 3.984 0.0 . 1 . . . . 43 VAL HA . 6589 1 336 . 1 1 43 43 VAL HB H 1 1.954 0.0 . 1 . . . . 43 VAL HB . 6589 1 337 . 1 1 43 43 VAL HG11 H 1 0.764 0.0 . 1 . . . . 43 VAL HG1 . 6589 1 338 . 1 1 43 43 VAL HG12 H 1 0.764 0.0 . 1 . . . . 43 VAL HG1 . 6589 1 339 . 1 1 43 43 VAL HG13 H 1 0.764 0.0 . 1 . . . . 43 VAL HG1 . 6589 1 340 . 1 1 43 43 VAL HG21 H 1 0.764 0.0 . 1 . . . . 43 VAL HG2 . 6589 1 341 . 1 1 43 43 VAL HG22 H 1 0.764 0.0 . 1 . . . . 43 VAL HG2 . 6589 1 342 . 1 1 43 43 VAL HG23 H 1 0.764 0.0 . 1 . . . . 43 VAL HG2 . 6589 1 343 . 1 1 43 43 VAL C C 13 173.6 0.0 . 1 . . . . 43 VAL C . 6589 1 344 . 1 1 43 43 VAL CA C 13 59.91 0.0 . 1 . . . . 43 VAL CA . 6589 1 345 . 1 1 43 43 VAL CB C 13 29.95 0.0 . 1 . . . . 43 VAL CB . 6589 1 346 . 1 1 43 43 VAL N N 15 119.8 0.0 . 1 . . . . 43 VAL N . 6589 1 347 . 1 1 44 44 VAL H H 1 7.997 0.0 . 1 . . . . 44 VAL H . 6589 1 348 . 1 1 44 44 VAL HA H 1 3.93 0.0 . 1 . . . . 44 VAL HA . 6589 1 349 . 1 1 44 44 VAL HB H 1 1.914 0.0 . 1 . . . . 44 VAL HB . 6589 1 350 . 1 1 44 44 VAL HG11 H 1 0.769 0.0 . 1 . . . . 44 VAL HG1 . 6589 1 351 . 1 1 44 44 VAL HG12 H 1 0.769 0.0 . 1 . . . . 44 VAL HG1 . 6589 1 352 . 1 1 44 44 VAL HG13 H 1 0.769 0.0 . 1 . . . . 44 VAL HG1 . 6589 1 353 . 1 1 44 44 VAL HG21 H 1 0.769 0.0 . 1 . . . . 44 VAL HG2 . 6589 1 354 . 1 1 44 44 VAL HG22 H 1 0.769 0.0 . 1 . . . . 44 VAL HG2 . 6589 1 355 . 1 1 44 44 VAL HG23 H 1 0.769 0.0 . 1 . . . . 44 VAL HG2 . 6589 1 356 . 1 1 44 44 VAL C C 13 173.4 0.0 . 1 . . . . 44 VAL C . 6589 1 357 . 1 1 44 44 VAL CA C 13 59.85 0.0 . 1 . . . . 44 VAL CA . 6589 1 358 . 1 1 44 44 VAL CB C 13 29.8 0.0 . 1 . . . . 44 VAL CB . 6589 1 359 . 1 1 44 44 VAL N N 15 123.7 0.0 . 1 . . . . 44 VAL N . 6589 1 360 . 1 1 45 45 SER H H 1 8.171 0.0 . 1 . . . . 45 SER H . 6589 1 361 . 1 1 45 45 SER HA H 1 4.325 0.0 . 1 . . . . 45 SER HA . 6589 1 362 . 1 1 45 45 SER HB2 H 1 3.635 0.0 . 1 . . . . 45 SER HB2 . 6589 1 363 . 1 1 45 45 SER HB3 H 1 3.635 0.0 . 1 . . . . 45 SER HB3 . 6589 1 364 . 1 1 45 45 SER C C 13 171.4 0.0 . 1 . . . . 45 SER C . 6589 1 365 . 1 1 45 45 SER CA C 13 55.71 0.0 . 1 . . . . 45 SER CA . 6589 1 366 . 1 1 45 45 SER CB C 13 61.22 0.0 . 1 . . . . 45 SER CB . 6589 1 367 . 1 1 45 45 SER N N 15 118.87 0.0 . 1 . . . . 45 SER N . 6589 1 368 . 1 1 46 46 GLU H H 1 8.103 0.0 . 1 . . . . 46 GLU H . 6589 1 369 . 1 1 46 46 GLU HA H 1 4.125 0.0 . 1 . . . . 46 GLU HA . 6589 1 370 . 1 1 46 46 GLU HB2 H 1 1.737 0.0 . 1 . . . . 46 GLU HB2 . 6589 1 371 . 1 1 46 46 GLU HB3 H 1 1.737 0.0 . 1 . . . . 46 GLU HB3 . 6589 1 372 . 1 1 46 46 GLU HG2 H 1 2.023 0.0 . 1 . . . . 46 GLU HG2 . 6589 1 373 . 1 1 46 46 GLU HG3 H 1 2.023 0.0 . 1 . . . . 46 GLU HG3 . 6589 1 374 . 1 1 46 46 GLU C C 13 172.2 0.0 . 1 . . . . 46 GLU C . 6589 1 375 . 1 1 46 46 GLU CA C 13 53.75 0.0 . 1 . . . . 46 GLU CA . 6589 1 376 . 1 1 46 46 GLU CB C 13 27.72 0.0 . 1 . . . . 46 GLU CB . 6589 1 377 . 1 1 46 46 GLU N N 15 122.7 0.0 . 1 . . . . 46 GLU N . 6589 1 378 . 1 1 47 47 TYR H H 1 7.504 0.0 . 1 . . . . 47 TYR H . 6589 1 379 . 1 1 47 47 TYR HA H 1 4.229 0.0 . 1 . . . . 47 TYR HA . 6589 1 380 . 1 1 47 47 TYR HB2 H 1 2.696 0.0 . 2 . . . . 47 TYR HB2 . 6589 1 381 . 1 1 47 47 TYR HB3 H 1 2.909 0.0 . 2 . . . . 47 TYR HB3 . 6589 1 382 . 1 1 47 47 TYR HD1 H 1 7.004 0.0 . 1 . . . . 47 TYR HD1 . 6589 1 383 . 1 1 47 47 TYR HD2 H 1 7.004 0.0 . 1 . . . . 47 TYR HD2 . 6589 1 384 . 1 1 47 47 TYR HE1 H 1 6.665 0.0 . 1 . . . . 47 TYR HE1 . 6589 1 385 . 1 1 47 47 TYR HE2 H 1 6.665 0.0 . 1 . . . . 47 TYR HE2 . 6589 1 386 . 1 1 47 47 TYR CA C 13 56.48 0.0 . 1 . . . . 47 TYR CA . 6589 1 387 . 1 1 47 47 TYR CB C 13 36.81 0.0 . 1 . . . . 47 TYR CB . 6589 1 388 . 1 1 47 47 TYR N N 15 125.024 0.0 . 1 . . . . 47 TYR N . 6589 1 stop_ save_