data_6592 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6592 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Three-dimensional solution structure of the Chromo 2 domain of cpSRP43' 'Structure analysis' . 6592 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'cpSRP43, chromo 2 domain' 6592 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6592 _Entry.Title ; Chromo 2 domain of cpSRP43 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-12 _Entry.Accession_date 2005-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _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 . . . 6592 2 'Suresh Kumar' Thallapuranam . Krishnaswamy . 6592 3 Ralph Henry . . . 6592 4 Chin Yu . . . 6592 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . UARK . 6592 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6592 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 52 6592 '1H chemical shifts' 330 6592 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2006-07-24 2005-04-12 update BMRB 'update chemical shift table' 6592 1 . . 2006-04-14 2005-04-12 original author 'original release' 6592 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 6593 'Chromo 3 domain of cpSRP43' 6592 . 7241 'Chromo domain 2 complexed with cpSRP54 peptide' 6592 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6592 _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 . . . 6592 1 2 Thallapuranam 'Suresh Kumar' . Krishnaswamy . 6592 1 3 Philominathan Leena . Sagaya-Theresa . 6592 1 4 Anne Chang . . . 6592 1 5 Chitturi Vidya . . . 6592 1 6 Robyn Goforth . L. . 6592 1 7 Dakshinamurthy Rajalingam . . . 6592 1 8 Kannan Arvind . . . 6592 1 9 Jian-Liang Ye . . . 6592 1 10 Jonathan Chou . . . 6592 1 11 Ralph Henry . . . 6592 1 12 Chin Yu . . . 6592 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6592 _Assembly.ID 1 _Assembly.Name 'Chromo2 domain of cpSRP43' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Chromo 2 domain' _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 2 domain' 1 $Chromo_2_domain . . yes native no no . 'protein targeting' . 6592 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Chromo_2_domain _Entity.Sf_category entity _Entity.Sf_framecode Chromo_2_domain _Entity.Entry_ID 6592 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Chromo 2 domain' _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 ; GSQVFEYAEVDEIVEKRGKG KDVEYLVRWKDGGDCEWVKG VHVAEDVAKDYEDGLEY ; _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 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15540 . C-Terminal_chromo_domain . . . . . 100.00 111 100.00 100.00 3.05e-30 . . . . 6592 1 2 no PDB 1X3Q . "3d Solution Structure Of The Chromo-2 Domain Of Cpsrp43" . . . . . 98.25 57 100.00 100.00 6.22e-29 . . . . 6592 1 3 no PDB 2HUG . "3d Solution Structure Of The Chromo-2 Domain Of Cpsrp43 Complexed With Cpsrp54 Peptide" . . . . . 98.25 57 100.00 100.00 6.22e-29 . . . . 6592 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 . 6592 1 2 . SER . 6592 1 3 . GLN . 6592 1 4 . VAL . 6592 1 5 . PHE . 6592 1 6 . GLU . 6592 1 7 . TYR . 6592 1 8 . ALA . 6592 1 9 . GLU . 6592 1 10 . VAL . 6592 1 11 . ASP . 6592 1 12 . GLU . 6592 1 13 . ILE . 6592 1 14 . VAL . 6592 1 15 . GLU . 6592 1 16 . LYS . 6592 1 17 . ARG . 6592 1 18 . GLY . 6592 1 19 . LYS . 6592 1 20 . GLY . 6592 1 21 . LYS . 6592 1 22 . ASP . 6592 1 23 . VAL . 6592 1 24 . GLU . 6592 1 25 . TYR . 6592 1 26 . LEU . 6592 1 27 . VAL . 6592 1 28 . ARG . 6592 1 29 . TRP . 6592 1 30 . LYS . 6592 1 31 . ASP . 6592 1 32 . GLY . 6592 1 33 . GLY . 6592 1 34 . ASP . 6592 1 35 . CYS . 6592 1 36 . GLU . 6592 1 37 . TRP . 6592 1 38 . VAL . 6592 1 39 . LYS . 6592 1 40 . GLY . 6592 1 41 . VAL . 6592 1 42 . HIS . 6592 1 43 . VAL . 6592 1 44 . ALA . 6592 1 45 . GLU . 6592 1 46 . ASP . 6592 1 47 . VAL . 6592 1 48 . ALA . 6592 1 49 . LYS . 6592 1 50 . ASP . 6592 1 51 . TYR . 6592 1 52 . GLU . 6592 1 53 . ASP . 6592 1 54 . GLY . 6592 1 55 . LEU . 6592 1 56 . GLU . 6592 1 57 . TYR . 6592 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 6592 1 . SER 2 2 6592 1 . GLN 3 3 6592 1 . VAL 4 4 6592 1 . PHE 5 5 6592 1 . GLU 6 6 6592 1 . TYR 7 7 6592 1 . ALA 8 8 6592 1 . GLU 9 9 6592 1 . VAL 10 10 6592 1 . ASP 11 11 6592 1 . GLU 12 12 6592 1 . ILE 13 13 6592 1 . VAL 14 14 6592 1 . GLU 15 15 6592 1 . LYS 16 16 6592 1 . ARG 17 17 6592 1 . GLY 18 18 6592 1 . LYS 19 19 6592 1 . GLY 20 20 6592 1 . LYS 21 21 6592 1 . ASP 22 22 6592 1 . VAL 23 23 6592 1 . GLU 24 24 6592 1 . TYR 25 25 6592 1 . LEU 26 26 6592 1 . VAL 27 27 6592 1 . ARG 28 28 6592 1 . TRP 29 29 6592 1 . LYS 30 30 6592 1 . ASP 31 31 6592 1 . GLY 32 32 6592 1 . GLY 33 33 6592 1 . ASP 34 34 6592 1 . CYS 35 35 6592 1 . GLU 36 36 6592 1 . TRP 37 37 6592 1 . VAL 38 38 6592 1 . LYS 39 39 6592 1 . GLY 40 40 6592 1 . VAL 41 41 6592 1 . HIS 42 42 6592 1 . VAL 43 43 6592 1 . ALA 44 44 6592 1 . GLU 45 45 6592 1 . ASP 46 46 6592 1 . VAL 47 47 6592 1 . ALA 48 48 6592 1 . LYS 49 49 6592 1 . ASP 50 50 6592 1 . TYR 51 51 6592 1 . GLU 52 52 6592 1 . ASP 53 53 6592 1 . GLY 54 54 6592 1 . LEU 55 55 6592 1 . GLU 56 56 6592 1 . TYR 57 57 6592 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 6592 _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_2_domain . 3702 . no . Arabdopsis . . Eubacteria Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6592 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 6592 _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_2_domain . 'recombinant technology' . E.coli 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . . . . . . 6592 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CD2 _Sample.Sf_category sample _Sample.Sf_framecode CD2 _Sample.Entry_ID 6592 _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 CD2 '[U-15N; U-13C]' . . 1 $Chromo_2_domain . . 0.75 0.5 0.8 mM 0.01 . . . 6592 1 stop_ save_ ####################### # Sample conditions # ####################### save_CD2_experimental_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CD2_experimental_conditions _Sample_condition_list.Entry_ID 6592 _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 6.4 0.1 pH 6592 1 temperature 298 0.5 K 6592 1 stop_ save_ ############################ # Computer software used # ############################ save_XWIN_NMR _Software.Sf_category software _Software.Sf_framecode XWIN_NMR _Software.Entry_ID 6592 _Software.ID 1 _Software.Name 'XWIN NMR' _Software.Version 3.5 _Software.Details 'Data analysis' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 6592 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 6592 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '700 MHz 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 6592 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H 2D TOCSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6592 1 2 '1H 2D NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6592 1 3 '1H-15N HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6592 1 4 '15N HSQC-NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6592 1 5 13C-NOESY-HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6592 1 6 HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6592 1 7 HNCOCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6592 1 8 CBCACONH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6592 1 9 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6592 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Chromo-2_domain_shifts _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode Chromo-2_domain_shifts _Chem_shift_reference.Entry_ID 6592 _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 . . . . . . . . . 6592 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6592 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6592 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_Chromo-2_domain _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Chromo-2_domain _Assigned_chem_shift_list.Entry_ID 6592 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CD2_experimental_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $Chromo-2_domain_shifts _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 . . . . isotropic 6592 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 1 $XWIN_NMR . . 6592 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 GLY H H 1 7.843 0.0 . 1 . . . . 1 GLY H . 6592 1 2 . 1 1 1 1 GLY HA2 H 1 3.999 0.0 . 1 . . . . 1 GLY HA1 . 6592 1 3 . 1 1 1 1 GLY HA3 H 1 3.999 0.0 . 1 . . . . 1 GLY HA2 . 6592 1 4 . 1 1 1 1 GLY N N 15 107.3 0.0 . 1 . . . . 1 GLY N . 6592 1 5 . 1 1 3 3 GLN HE21 H 1 6.791 0.0 . 1 . . . . 3 GLN HE1 . 6592 1 6 . 1 1 3 3 GLN HE22 H 1 7.431 0.0 . 1 . . . . 3 GLN HE2 . 6592 1 7 . 1 1 4 4 VAL H H 1 8.014 0.0 . 1 . . . . 4 VAL H . 6592 1 8 . 1 1 4 4 VAL HA H 1 4.067 0.0 . 1 . . . . 4 VAL HA . 6592 1 9 . 1 1 4 4 VAL HB H 1 1.826 0.0 . 1 . . . . 4 VAL HB . 6592 1 10 . 1 1 4 4 VAL HG11 H 1 0.7313 0.0 . 1 . . . . 4 VAL HG1 . 6592 1 11 . 1 1 4 4 VAL HG12 H 1 0.7313 0.0 . 1 . . . . 4 VAL HG1 . 6592 1 12 . 1 1 4 4 VAL HG13 H 1 0.7313 0.0 . 1 . . . . 4 VAL HG1 . 6592 1 13 . 1 1 4 4 VAL HG21 H 1 0.8131 0.0 . 1 . . . . 4 VAL HG2 . 6592 1 14 . 1 1 4 4 VAL HG22 H 1 0.8131 0.0 . 1 . . . . 4 VAL HG2 . 6592 1 15 . 1 1 4 4 VAL HG23 H 1 0.8131 0.0 . 1 . . . . 4 VAL HG2 . 6592 1 16 . 1 1 4 4 VAL N N 15 120.5 0.0 . 1 . . . . 4 VAL N . 6592 1 17 . 1 1 5 5 PHE H H 1 8.49 0.0 . 1 . . . . 5 PHE H . 6592 1 18 . 1 1 5 5 PHE HA H 1 5.535 0.0 . 1 . . . . 5 PHE HA . 6592 1 19 . 1 1 5 5 PHE HB2 H 1 2.651 0.0 . 2 . . . . 5 PHE HB2 . 6592 1 20 . 1 1 5 5 PHE HB3 H 1 2.77 0.0 . 2 . . . . 5 PHE HB3 . 6592 1 21 . 1 1 5 5 PHE N N 15 116.5 0.0 . 1 . . . . 5 PHE N . 6592 1 22 . 1 1 7 7 TYR H H 1 8.595 0.0 . 1 . . . . 7 TYR H . 6592 1 23 . 1 1 7 7 TYR HA H 1 4.53 0.0 . 1 . . . . 7 TYR HA . 6592 1 24 . 1 1 7 7 TYR HB2 H 1 2.886 0.0 . 2 . . . . 7 TYR HB2 . 6592 1 25 . 1 1 7 7 TYR HB3 H 1 3.154 0.0 . 2 . . . . 7 TYR HB3 . 6592 1 26 . 1 1 7 7 TYR HD1 H 1 7.174 0.0 . 1 . . . . 7 TYR HD1 . 6592 1 27 . 1 1 7 7 TYR HD2 H 1 7.174 0.0 . 1 . . . . 7 TYR HD2 . 6592 1 28 . 1 1 7 7 TYR HE1 H 1 6.721 0.0 . 1 . . . . 7 TYR HE1 . 6592 1 29 . 1 1 7 7 TYR HE2 H 1 6.721 0.0 . 1 . . . . 7 TYR HE2 . 6592 1 30 . 1 1 8 8 ALA H H 1 7.956 0.0 . 1 . . . . 8 ALA H . 6592 1 31 . 1 1 8 8 ALA HA H 1 4.221 0.0 . 1 . . . . 8 ALA HA . 6592 1 32 . 1 1 8 8 ALA HB1 H 1 1.276 0.0 . 1 . . . . 8 ALA HB . 6592 1 33 . 1 1 8 8 ALA HB2 H 1 1.276 0.0 . 1 . . . . 8 ALA HB . 6592 1 34 . 1 1 8 8 ALA HB3 H 1 1.276 0.0 . 1 . . . . 8 ALA HB . 6592 1 35 . 1 1 8 8 ALA N N 15 121.8 0.0 . 1 . . . . 8 ALA N . 6592 1 36 . 1 1 9 9 GLU H H 1 8.125 0.0 . 1 . . . . 9 GLU H . 6592 1 37 . 1 1 9 9 GLU HA H 1 4.54 0.0 . 1 . . . . 9 GLU HA . 6592 1 38 . 1 1 9 9 GLU HB2 H 1 2.237 0.0 . 1 . . . . 9 GLU HB2 . 6592 1 39 . 1 1 9 9 GLU HB3 H 1 2.237 0.0 . 1 . . . . 9 GLU HB3 . 6592 1 40 . 1 1 9 9 GLU HG2 H 1 2.342 0.0 . 1 . . . . 9 GLU HG2 . 6592 1 41 . 1 1 9 9 GLU HG3 H 1 2.342 0.0 . 1 . . . . 9 GLU HG3 . 6592 1 42 . 1 1 9 9 GLU N N 15 115.5 0.0 . 1 . . . . 9 GLU N . 6592 1 43 . 1 1 10 10 VAL H H 1 8.59 0.0 . 1 . . . . 10 VAL H . 6592 1 44 . 1 1 10 10 VAL HA H 1 3.84 0.0 . 1 . . . . 10 VAL HA . 6592 1 45 . 1 1 10 10 VAL HB H 1 1.907 0.0 . 1 . . . . 10 VAL HB . 6592 1 46 . 1 1 10 10 VAL HG11 H 1 0.5072 0.0 . 1 . . . . 10 VAL HG1 . 6592 1 47 . 1 1 10 10 VAL HG12 H 1 0.5072 0.0 . 1 . . . . 10 VAL HG1 . 6592 1 48 . 1 1 10 10 VAL HG13 H 1 0.5072 0.0 . 1 . . . . 10 VAL HG1 . 6592 1 49 . 1 1 10 10 VAL HG21 H 1 0.5072 0.0 . 1 . . . . 10 VAL HG2 . 6592 1 50 . 1 1 10 10 VAL HG22 H 1 0.5072 0.0 . 1 . . . . 10 VAL HG2 . 6592 1 51 . 1 1 10 10 VAL HG23 H 1 0.5072 0.0 . 1 . . . . 10 VAL HG2 . 6592 1 52 . 1 1 10 10 VAL N N 15 123.8 0.0 . 1 . . . . 10 VAL N . 6592 1 53 . 1 1 11 11 ASP H H 1 9.049 0.0 . 1 . . . . 11 ASP H . 6592 1 54 . 1 1 11 11 ASP HA H 1 4.631 0.0 . 1 . . . . 11 ASP HA . 6592 1 55 . 1 1 11 11 ASP HB2 H 1 2.152 0.0 . 2 . . . . 11 ASP HB2 . 6592 1 56 . 1 1 11 11 ASP HB3 H 1 2.39 0.0 . 2 . . . . 11 ASP HB3 . 6592 1 57 . 1 1 11 11 ASP N N 15 126.1 0.0 . 1 . . . . 11 ASP N . 6592 1 58 . 1 1 12 12 GLU H H 1 7.226 0.0 . 1 . . . . 12 GLU H . 6592 1 59 . 1 1 12 12 GLU HA H 1 4.361 0.0 . 1 . . . . 12 GLU HA . 6592 1 60 . 1 1 12 12 GLU HB2 H 1 1.786 0.0 . 1 . . . . 12 GLU HB2 . 6592 1 61 . 1 1 12 12 GLU HB3 H 1 1.786 0.0 . 1 . . . . 12 GLU HB3 . 6592 1 62 . 1 1 12 12 GLU HG2 H 1 1.914 0.0 . 1 . . . . 12 GLU HG2 . 6592 1 63 . 1 1 12 12 GLU HG3 H 1 1.914 0.0 . 1 . . . . 12 GLU HG3 . 6592 1 64 . 1 1 12 12 GLU N N 15 112.4 0.0 . 1 . . . . 12 GLU N . 6592 1 65 . 1 1 13 13 ILE H H 1 8.5 0.0 . 1 . . . . 13 ILE H . 6592 1 66 . 1 1 13 13 ILE HA H 1 3.992 0.0 . 1 . . . . 13 ILE HA . 6592 1 67 . 1 1 13 13 ILE HB H 1 1.144 0.0 . 1 . . . . 13 ILE HB . 6592 1 68 . 1 1 13 13 ILE HG12 H 1 0.4045 0.0 . 1 . . . . 13 ILE HG1 . 6592 1 69 . 1 1 13 13 ILE HG13 H 1 0.4045 0.0 . 1 . . . . 13 ILE HG1 . 6592 1 70 . 1 1 13 13 ILE HG21 H 1 0.4045 0.0 . 1 . . . . 13 ILE HG2 . 6592 1 71 . 1 1 13 13 ILE HG22 H 1 0.4045 0.0 . 1 . . . . 13 ILE HG2 . 6592 1 72 . 1 1 13 13 ILE HG23 H 1 0.4045 0.0 . 1 . . . . 13 ILE HG2 . 6592 1 73 . 1 1 13 13 ILE HD11 H 1 -0.0372 0.0 . 1 . . . . 13 ILE HD1 . 6592 1 74 . 1 1 13 13 ILE HD12 H 1 -0.0372 0.0 . 1 . . . . 13 ILE HD1 . 6592 1 75 . 1 1 13 13 ILE HD13 H 1 -0.0372 0.0 . 1 . . . . 13 ILE HD1 . 6592 1 76 . 1 1 13 13 ILE N N 15 122.5 0.0 . 1 . . . . 13 ILE N . 6592 1 77 . 1 1 14 14 VAL H H 1 8.912 0.0 . 1 . . . . 14 VAL H . 6592 1 78 . 1 1 14 14 VAL HA H 1 3.88 0.0 . 1 . . . . 14 VAL HA . 6592 1 79 . 1 1 14 14 VAL HB H 1 1.63 0.0 . 1 . . . . 14 VAL HB . 6592 1 80 . 1 1 14 14 VAL HG11 H 1 0.7823 0.0 . 1 . . . . 14 VAL HG1 . 6592 1 81 . 1 1 14 14 VAL HG12 H 1 0.7823 0.0 . 1 . . . . 14 VAL HG1 . 6592 1 82 . 1 1 14 14 VAL HG13 H 1 0.7823 0.0 . 1 . . . . 14 VAL HG1 . 6592 1 83 . 1 1 14 14 VAL HG21 H 1 0.6226 0.0 . 1 . . . . 14 VAL HG2 . 6592 1 84 . 1 1 14 14 VAL HG22 H 1 0.6226 0.0 . 1 . . . . 14 VAL HG2 . 6592 1 85 . 1 1 14 14 VAL HG23 H 1 0.6226 0.0 . 1 . . . . 14 VAL HG2 . 6592 1 86 . 1 1 14 14 VAL N N 15 124.2 0.0 . 1 . . . . 14 VAL N . 6592 1 87 . 1 1 15 15 GLU H H 1 7.217 0.0 . 1 . . . . 15 GLU H . 6592 1 88 . 1 1 15 15 GLU HA H 1 4.604 0.0 . 1 . . . . 15 GLU HA . 6592 1 89 . 1 1 15 15 GLU HB2 H 1 1.914 0.0 . 1 . . . . 15 GLU HB2 . 6592 1 90 . 1 1 15 15 GLU HB3 H 1 1.914 0.0 . 1 . . . . 15 GLU HB3 . 6592 1 91 . 1 1 15 15 GLU HG2 H 1 2.391 0.0 . 1 . . . . 15 GLU HG2 . 6592 1 92 . 1 1 15 15 GLU HG3 H 1 2.391 0.0 . 1 . . . . 15 GLU HG3 . 6592 1 93 . 1 1 15 15 GLU N N 15 117.3 0.0 . 1 . . . . 15 GLU N . 6592 1 94 . 1 1 16 16 LYS H H 1 8.737 0.0 . 1 . . . . 16 LYS H . 6592 1 95 . 1 1 16 16 LYS HA H 1 5.647 0.0 . 1 . . . . 16 LYS HA . 6592 1 96 . 1 1 16 16 LYS HB2 H 1 1.918 0.0 . 2 . . . . 16 LYS HB2 . 6592 1 97 . 1 1 16 16 LYS HB3 H 1 1.815 0.0 . 2 . . . . 16 LYS HB3 . 6592 1 98 . 1 1 16 16 LYS HG2 H 1 1.209 0.0 . 1 . . . . 16 LYS HG . 6592 1 99 . 1 1 16 16 LYS HG3 H 1 1.209 0.0 . 1 . . . . 16 LYS HG . 6592 1 100 . 1 1 16 16 LYS HD2 H 1 1.44 0.0 . 1 . . . . 16 LYS HD . 6592 1 101 . 1 1 16 16 LYS HD3 H 1 1.44 0.0 . 1 . . . . 16 LYS HD . 6592 1 102 . 1 1 16 16 LYS N N 15 120.6 0.0 . 1 . . . . 16 LYS N . 6592 1 103 . 1 1 17 17 ARG H H 1 9.194 0.0 . 1 . . . . 17 ARG H . 6592 1 104 . 1 1 17 17 ARG HA H 1 4.848 0.0 . 1 . . . . 17 ARG HA . 6592 1 105 . 1 1 17 17 ARG HB2 H 1 1.72 0.0 . 2 . . . . 17 ARG HB2 . 6592 1 106 . 1 1 17 17 ARG HB3 H 1 1.542 0.0 . 2 . . . . 17 ARG HB3 . 6592 1 107 . 1 1 17 17 ARG N N 15 118.0 0.0 . 1 . . . . 17 ARG N . 6592 1 108 . 1 1 18 18 GLY H H 1 8.299 0.0 . 1 . . . . 18 GLY H . 6592 1 109 . 1 1 18 18 GLY HA2 H 1 4.222 0.0 . 2 . . . . 18 GLY HA1 . 6592 1 110 . 1 1 18 18 GLY HA3 H 1 3.627 0.0 . 2 . . . . 18 GLY HA2 . 6592 1 111 . 1 1 18 18 GLY N N 15 106.4 0.0 . 1 . . . . 18 GLY N . 6592 1 112 . 1 1 19 19 LYS H H 1 7.811 0.0 . 1 . . . . 19 LYS H . 6592 1 113 . 1 1 19 19 LYS HA H 1 4.536 0.0 . 1 . . . . 19 LYS HA . 6592 1 114 . 1 1 19 19 LYS HB2 H 1 1.733 0.0 . 2 . . . . 19 LYS HB2 . 6592 1 115 . 1 1 19 19 LYS HB3 H 1 1.619 0.0 . 2 . . . . 19 LYS HB3 . 6592 1 116 . 1 1 19 19 LYS HG2 H 1 1.29 0.0 . 1 . . . . 19 LYS HG . 6592 1 117 . 1 1 19 19 LYS HG3 H 1 1.29 0.0 . 1 . . . . 19 LYS HG . 6592 1 118 . 1 1 19 19 LYS HE2 H 1 2.913 0.0 . 1 . . . . 19 LYS HE . 6592 1 119 . 1 1 19 19 LYS HE3 H 1 2.913 0.0 . 1 . . . . 19 LYS HE . 6592 1 120 . 1 1 19 19 LYS N N 15 115.2 0.0 . 1 . . . . 19 LYS N . 6592 1 121 . 1 1 20 20 GLY H H 1 8.794 0.0 . 1 . . . . 20 GLY H . 6592 1 122 . 1 1 20 20 GLY HA2 H 1 3.904 0.0 . 2 . . . . 20 GLY HA1 . 6592 1 123 . 1 1 20 20 GLY HA3 H 1 3.907 0.0 . 2 . . . . 20 GLY HA2 . 6592 1 124 . 1 1 20 20 GLY N N 15 110.9 0.0 . 1 . . . . 20 GLY N . 6592 1 125 . 1 1 21 21 LYS H H 1 7.931 0.0 . 1 . . . . 21 LYS H . 6592 1 126 . 1 1 21 21 LYS HA H 1 4.187 0.0 . 1 . . . . 21 LYS HA . 6592 1 127 . 1 1 21 21 LYS HB2 H 1 1.6 0.0 . 2 . . . . 21 LYS HB2 . 6592 1 128 . 1 1 21 21 LYS HB3 H 1 1.424 0.0 . 2 . . . . 21 LYS HB3 . 6592 1 129 . 1 1 21 21 LYS HE2 H 1 3.015 0.0 . 1 . . . . 21 LYS HE . 6592 1 130 . 1 1 21 21 LYS HE3 H 1 3.015 0.0 . 1 . . . . 21 LYS HE . 6592 1 131 . 1 1 21 21 LYS N N 15 121.1 0.0 . 1 . . . . 21 LYS N . 6592 1 132 . 1 1 22 22 ASP H H 1 7.931 0.0 . 1 . . . . 22 ASP H . 6592 1 133 . 1 1 22 22 ASP HA H 1 4.781 0.0 . 1 . . . . 22 ASP HA . 6592 1 134 . 1 1 22 22 ASP HB2 H 1 2.909 0.0 . 2 . . . . 22 ASP HB2 . 6592 1 135 . 1 1 22 22 ASP HB3 H 1 2.644 0.0 . 2 . . . . 22 ASP HB3 . 6592 1 136 . 1 1 22 22 ASP N N 15 118.6 0.0 . 1 . . . . 22 ASP N . 6592 1 137 . 1 1 23 23 VAL H H 1 6.89 0.0 . 1 . . . . 23 VAL H . 6592 1 138 . 1 1 23 23 VAL HA H 1 4.13 0.0 . 1 . . . . 23 VAL HA . 6592 1 139 . 1 1 23 23 VAL HB H 1 1.716 0.0 . 1 . . . . 23 VAL HB . 6592 1 140 . 1 1 23 23 VAL HG11 H 1 0.7084 0.0 . 1 . . . . 23 VAL HG1 . 6592 1 141 . 1 1 23 23 VAL HG12 H 1 0.7084 0.0 . 1 . . . . 23 VAL HG1 . 6592 1 142 . 1 1 23 23 VAL HG13 H 1 0.7084 0.0 . 1 . . . . 23 VAL HG1 . 6592 1 143 . 1 1 23 23 VAL HG21 H 1 0.5589 0.0 . 1 . . . . 23 VAL HG2 . 6592 1 144 . 1 1 23 23 VAL HG22 H 1 0.5589 0.0 . 1 . . . . 23 VAL HG2 . 6592 1 145 . 1 1 23 23 VAL HG23 H 1 0.5589 0.0 . 1 . . . . 23 VAL HG2 . 6592 1 146 . 1 1 23 23 VAL N N 15 120.3 0.0 . 1 . . . . 23 VAL N . 6592 1 147 . 1 1 24 24 GLU H H 1 8.964 0.0 . 1 . . . . 24 GLU H . 6592 1 148 . 1 1 24 24 GLU HA H 1 4.852 0.0 . 1 . . . . 24 GLU HA . 6592 1 149 . 1 1 24 24 GLU HB2 H 1 1.734 0.0 . 1 . . . . 24 GLU HB2 . 6592 1 150 . 1 1 24 24 GLU HB3 H 1 1.734 0.0 . 1 . . . . 24 GLU HB3 . 6592 1 151 . 1 1 24 24 GLU HG2 H 1 2.202 0.0 . 1 . . . . 24 GLU HG2 . 6592 1 152 . 1 1 24 24 GLU HG3 H 1 2.202 0.0 . 1 . . . . 24 GLU HG3 . 6592 1 153 . 1 1 24 24 GLU N N 15 125.8 0.0 . 1 . . . . 24 GLU N . 6592 1 154 . 1 1 25 25 TYR H H 1 9.192 0.0 . 1 . . . . 25 TYR H . 6592 1 155 . 1 1 25 25 TYR HA H 1 5.302 0.0 . 1 . . . . 25 TYR HA . 6592 1 156 . 1 1 25 25 TYR HB2 H 1 2.294 0.0 . 2 . . . . 25 TYR HB2 . 6592 1 157 . 1 1 25 25 TYR HB3 H 1 2.699 0.0 . 2 . . . . 25 TYR HB3 . 6592 1 158 . 1 1 25 25 TYR HD1 H 1 6.798 0.0 . 1 . . . . 25 TYR HD1 . 6592 1 159 . 1 1 25 25 TYR HD2 H 1 6.798 0.0 . 1 . . . . 25 TYR HD2 . 6592 1 160 . 1 1 25 25 TYR HE1 H 1 6.685 0.0 . 1 . . . . 25 TYR HE1 . 6592 1 161 . 1 1 25 25 TYR HE2 H 1 6.685 0.0 . 1 . . . . 25 TYR HE2 . 6592 1 162 . 1 1 25 25 TYR N N 15 121.4 0.0 . 1 . . . . 25 TYR N . 6592 1 163 . 1 1 26 26 LEU H H 1 8.318 0.0 . 1 . . . . 26 LEU H . 6592 1 164 . 1 1 26 26 LEU HA H 1 3.627 0.0 . 1 . . . . 26 LEU HA . 6592 1 165 . 1 1 26 26 LEU HG H 1 0.8867 0.0 . 1 . . . . 26 LEU HG1 . 6592 1 166 . 1 1 26 26 LEU HD11 H 1 -1.652 0.0 . 1 . . . . 26 LEU HD1 . 6592 1 167 . 1 1 26 26 LEU HD12 H 1 -1.652 0.0 . 1 . . . . 26 LEU HD1 . 6592 1 168 . 1 1 26 26 LEU HD13 H 1 -1.652 0.0 . 1 . . . . 26 LEU HD1 . 6592 1 169 . 1 1 26 26 LEU HD21 H 1 -1.652 0.0 . 1 . . . . 26 LEU HD2 . 6592 1 170 . 1 1 26 26 LEU HD22 H 1 -1.652 0.0 . 1 . . . . 26 LEU HD2 . 6592 1 171 . 1 1 26 26 LEU HD23 H 1 -1.652 0.0 . 1 . . . . 26 LEU HD2 . 6592 1 172 . 1 1 26 26 LEU N N 15 127.8 0.0 . 1 . . . . 26 LEU N . 6592 1 173 . 1 1 27 27 VAL H H 1 8.299 0.0 . 1 . . . . 27 VAL H . 6592 1 174 . 1 1 27 27 VAL HA H 1 4.222 0.0 . 1 . . . . 27 VAL HA . 6592 1 175 . 1 1 27 27 VAL HB H 1 1.21 0.0 . 1 . . . . 27 VAL HB . 6592 1 176 . 1 1 27 27 VAL HG11 H 1 0.7605 0.0 . 1 . . . . 27 VAL HG1 . 6592 1 177 . 1 1 27 27 VAL HG12 H 1 0.7605 0.0 . 1 . . . . 27 VAL HG1 . 6592 1 178 . 1 1 27 27 VAL HG13 H 1 0.7605 0.0 . 1 . . . . 27 VAL HG1 . 6592 1 179 . 1 1 27 27 VAL HG21 H 1 0.7605 0.0 . 1 . . . . 27 VAL HG2 . 6592 1 180 . 1 1 27 27 VAL HG22 H 1 0.7605 0.0 . 1 . . . . 27 VAL HG2 . 6592 1 181 . 1 1 27 27 VAL HG23 H 1 0.7605 0.0 . 1 . . . . 27 VAL HG2 . 6592 1 182 . 1 1 28 28 ARG H H 1 8.125 0.0 . 1 . . . . 28 ARG H . 6592 1 183 . 1 1 28 28 ARG HA H 1 4.54 0.0 . 1 . . . . 28 ARG HA . 6592 1 184 . 1 1 28 28 ARG HB2 H 1 1.284 0.0 . 2 . . . . 28 ARG HB2 . 6592 1 185 . 1 1 28 28 ARG HB3 H 1 1.601 0.0 . 2 . . . . 28 ARG HB3 . 6592 1 186 . 1 1 28 28 ARG N N 15 121.9 0.0 . 1 . . . . 28 ARG N . 6592 1 187 . 1 1 29 29 TRP H H 1 8.658 0.0 . 1 . . . . 29 TRP H . 6592 1 188 . 1 1 29 29 TRP HA H 1 4.905 0.0 . 1 . . . . 29 TRP HA . 6592 1 189 . 1 1 29 29 TRP HB2 H 1 3.494 0.0 . 2 . . . . 29 TRP HB2 . 6592 1 190 . 1 1 29 29 TRP HB3 H 1 3.081 0.0 . 2 . . . . 29 TRP HB3 . 6592 1 191 . 1 1 29 29 TRP HD1 H 1 7.064 0.0 . 1 . . . . 29 TRP HD1 . 6592 1 192 . 1 1 29 29 TRP HE1 H 1 10.12 0.0 . 1 . . . . 29 TRP HE1 . 6592 1 193 . 1 1 29 29 TRP HZ2 H 1 6.97 0.0 . 1 . . . . 29 TRP HZ2 . 6592 1 194 . 1 1 29 29 TRP HZ3 H 1 6.613 0.0 . 1 . . . . 29 TRP HZ3 . 6592 1 195 . 1 1 29 29 TRP HH2 H 1 6.69 0.0 . 1 . . . . 29 TRP HH2 . 6592 1 196 . 1 1 29 29 TRP N N 15 128.5 0.0 . 1 . . . . 29 TRP N . 6592 1 197 . 1 1 30 30 LYS H H 1 8.657 0.0 . 1 . . . . 30 LYS H . 6592 1 198 . 1 1 30 30 LYS HA H 1 3.981 0.0 . 1 . . . . 30 LYS HA . 6592 1 199 . 1 1 30 30 LYS N N 15 122.8 0.0 . 1 . . . . 30 LYS N . 6592 1 200 . 1 1 31 31 ASP H H 1 8.722 0.0 . 1 . . . . 31 ASP H . 6592 1 201 . 1 1 31 31 ASP HA H 1 4.585 0.0 . 1 . . . . 31 ASP HA . 6592 1 202 . 1 1 31 31 ASP HB2 H 1 2.726 0.0 . 2 . . . . 31 ASP HB2 . 6592 1 203 . 1 1 31 31 ASP HB3 H 1 2.61 0.0 . 2 . . . . 31 ASP HB3 . 6592 1 204 . 1 1 31 31 ASP N N 15 117.0 0.0 . 1 . . . . 31 ASP N . 6592 1 205 . 1 1 32 32 GLY H H 1 8.081 0.0 . 1 . . . . 32 GLY H . 6592 1 206 . 1 1 32 32 GLY HA2 H 1 4.29 0.0 . 2 . . . . 32 GLY HA1 . 6592 1 207 . 1 1 32 32 GLY HA3 H 1 3.761 0.0 . 2 . . . . 32 GLY HA2 . 6592 1 208 . 1 1 32 32 GLY N N 15 110.1 0.0 . 1 . . . . 32 GLY N . 6592 1 209 . 1 1 33 33 GLY H H 1 7.689 0.0 . 1 . . . . 33 GLY H . 6592 1 210 . 1 1 33 33 GLY HA2 H 1 3.765 0.0 . 2 . . . . 33 GLY HA1 . 6592 1 211 . 1 1 33 33 GLY HA3 H 1 3.997 0.0 . 2 . . . . 33 GLY HA2 . 6592 1 212 . 1 1 33 33 GLY N N 15 106.8 0.0 . 1 . . . . 33 GLY N . 6592 1 213 . 1 1 34 34 ASP H H 1 8.493 0.0 . 1 . . . . 34 ASP H . 6592 1 214 . 1 1 34 34 ASP HA H 1 4.719 0.0 . 1 . . . . 34 ASP HA . 6592 1 215 . 1 1 34 34 ASP HB2 H 1 2.77 0.0 . 2 . . . . 34 ASP HB2 . 6592 1 216 . 1 1 34 34 ASP HB3 H 1 2.651 0.0 . 2 . . . . 34 ASP HB3 . 6592 1 217 . 1 1 34 34 ASP N N 15 120.0 0.0 . 1 . . . . 34 ASP N . 6592 1 218 . 1 1 35 35 CYS H H 1 8.381 0.0 . 1 . . . . 35 CYS H . 6592 1 219 . 1 1 35 35 CYS HA H 1 5.304 0.0 . 1 . . . . 35 CYS HA . 6592 1 220 . 1 1 35 35 CYS HB2 H 1 2.751 0.0 . 2 . . . . 35 CYS HB2 . 6592 1 221 . 1 1 35 35 CYS HB3 H 1 2.514 0.0 . 2 . . . . 35 CYS HB3 . 6592 1 222 . 1 1 35 35 CYS N N 15 116.8 0.0 . 1 . . . . 35 CYS N . 6592 1 223 . 1 1 36 36 GLU H H 1 8.308 0.0 . 1 . . . . 36 GLU H . 6592 1 224 . 1 1 36 36 GLU HA H 1 4.464 0.0 . 1 . . . . 36 GLU HA . 6592 1 225 . 1 1 36 36 GLU HB2 H 1 2.006 0.0 . 2 . . . . 36 GLU HB2 . 6592 1 226 . 1 1 36 36 GLU HB3 H 1 1.931 0.0 . 2 . . . . 36 GLU HB3 . 6592 1 227 . 1 1 36 36 GLU HG2 H 1 2.28 0.0 . 1 . . . . 36 GLU HG2 . 6592 1 228 . 1 1 36 36 GLU HG3 H 1 2.28 0.0 . 1 . . . . 36 GLU HG3 . 6592 1 229 . 1 1 36 36 GLU N N 15 122.3 0.0 . 1 . . . . 36 GLU N . 6592 1 230 . 1 1 37 37 TRP H H 1 8.693 0.0 . 1 . . . . 37 TRP H . 6592 1 231 . 1 1 37 37 TRP HA H 1 4.987 0.0 . 1 . . . . 37 TRP HA . 6592 1 232 . 1 1 37 37 TRP HB2 H 1 2.823 0.0 . 2 . . . . 37 TRP HB2 . 6592 1 233 . 1 1 37 37 TRP HB3 H 1 2.987 0.0 . 2 . . . . 37 TRP HB3 . 6592 1 234 . 1 1 37 37 TRP HD1 H 1 6.92 0.0 . 1 . . . . 37 TRP HD1 . 6592 1 235 . 1 1 37 37 TRP HE1 H 1 10.07 0.0 . 1 . . . . 37 TRP HE1 . 6592 1 236 . 1 1 37 37 TRP HE3 H 1 7.298 0.0 . 1 . . . . 37 TRP HE3 . 6592 1 237 . 1 1 37 37 TRP HZ2 H 1 7.483 0.0 . 1 . . . . 37 TRP HZ2 . 6592 1 238 . 1 1 37 37 TRP HZ3 H 1 6.738 0.0 . 1 . . . . 37 TRP HZ3 . 6592 1 239 . 1 1 37 37 TRP HH2 H 1 6.611 0.0 . 1 . . . . 37 TRP HH2 . 6592 1 240 . 1 1 37 37 TRP N N 15 125.0 0.0 . 1 . . . . 37 TRP N . 6592 1 241 . 1 1 38 38 VAL H H 1 9.797 0.0 . 1 . . . . 38 VAL H . 6592 1 242 . 1 1 38 38 VAL HA H 1 4.696 0.0 . 1 . . . . 38 VAL HA . 6592 1 243 . 1 1 38 38 VAL HB H 1 2.102 0.0 . 1 . . . . 38 VAL HB . 6592 1 244 . 1 1 38 38 VAL HG11 H 1 0.8789 0.0 . 1 . . . . 38 VAL HG1 . 6592 1 245 . 1 1 38 38 VAL HG12 H 1 0.8789 0.0 . 1 . . . . 38 VAL HG1 . 6592 1 246 . 1 1 38 38 VAL HG13 H 1 0.8789 0.0 . 1 . . . . 38 VAL HG1 . 6592 1 247 . 1 1 38 38 VAL HG21 H 1 1.12 0.0 . 1 . . . . 38 VAL HG2 . 6592 1 248 . 1 1 38 38 VAL HG22 H 1 1.12 0.0 . 1 . . . . 38 VAL HG2 . 6592 1 249 . 1 1 38 38 VAL HG23 H 1 1.12 0.0 . 1 . . . . 38 VAL HG2 . 6592 1 250 . 1 1 38 38 VAL N N 15 123.7 0.0 . 1 . . . . 38 VAL N . 6592 1 251 . 1 1 39 39 LYS H H 1 8.979 0.0 . 1 . . . . 39 LYS H . 6592 1 252 . 1 1 39 39 LYS HA H 1 4.357 0.0 . 1 . . . . 39 LYS HA . 6592 1 253 . 1 1 39 39 LYS HB2 H 1 2.099 0.0 . 2 . . . . 39 LYS HB2 . 6592 1 254 . 1 1 39 39 LYS HB3 H 1 2.205 0.0 . 2 . . . . 39 LYS HB3 . 6592 1 255 . 1 1 39 39 LYS HG2 H 1 1.734 0.0 . 1 . . . . 39 LYS HG . 6592 1 256 . 1 1 39 39 LYS HG3 H 1 1.734 0.0 . 1 . . . . 39 LYS HG . 6592 1 257 . 1 1 39 39 LYS HD2 H 1 1.734 0.0 . 1 . . . . 39 LYS HD . 6592 1 258 . 1 1 39 39 LYS HD3 H 1 1.734 0.0 . 1 . . . . 39 LYS HD . 6592 1 259 . 1 1 39 39 LYS N N 15 123.7 0.0 . 1 . . . . 39 LYS N . 6592 1 260 . 1 1 40 40 GLY H H 1 8.675 0.0 . 1 . . . . 40 GLY H . 6592 1 261 . 1 1 40 40 GLY HA2 H 1 3.707 0.0 . 2 . . . . 40 GLY HA1 . 6592 1 262 . 1 1 40 40 GLY HA3 H 1 3.824 0.0 . 2 . . . . 40 GLY HA2 . 6592 1 263 . 1 1 40 40 GLY N N 15 109.8 0.0 . 1 . . . . 40 GLY N1 . 6592 1 264 . 1 1 41 41 VAL H H 1 7.521 0.0 . 1 . . . . 41 VAL H . 6592 1 265 . 1 1 41 41 VAL HA H 1 4.125 0.0 . 1 . . . . 41 VAL HA . 6592 1 266 . 1 1 41 41 VAL HB H 1 2.076 0.0 . 1 . . . . 41 VAL HB . 6592 1 267 . 1 1 41 41 VAL HG11 H 1 0.7591 0.0 . 1 . . . . 41 VAL HG1 . 6592 1 268 . 1 1 41 41 VAL HG12 H 1 0.7591 0.0 . 1 . . . . 41 VAL HG1 . 6592 1 269 . 1 1 41 41 VAL HG13 H 1 0.7591 0.0 . 1 . . . . 41 VAL HG1 . 6592 1 270 . 1 1 41 41 VAL HG21 H 1 0.5881 0.0 . 1 . . . . 41 VAL HG2 . 6592 1 271 . 1 1 41 41 VAL HG22 H 1 0.5881 0.0 . 1 . . . . 41 VAL HG2 . 6592 1 272 . 1 1 41 41 VAL HG23 H 1 0.5881 0.0 . 1 . . . . 41 VAL HG2 . 6592 1 273 . 1 1 41 41 VAL N N 15 113.4 0.0 . 1 . . . . 41 VAL N . 6592 1 274 . 1 1 42 42 HIS H H 1 8.068 0.0 . 1 . . . . 42 HIS H . 6592 1 275 . 1 1 42 42 HIS HA H 1 4.902 0.0 . 1 . . . . 42 HIS HA . 6592 1 276 . 1 1 42 42 HIS HB2 H 1 3.438 0.0 . 2 . . . . 42 HIS HB2 . 6592 1 277 . 1 1 42 42 HIS HB3 H 1 3.141 0.0 . 2 . . . . 42 HIS HB3 . 6592 1 278 . 1 1 42 42 HIS HD2 H 1 6.984 0.0 . 1 . . . . 42 HIS HD2 . 6592 1 279 . 1 1 42 42 HIS HE1 H 1 7.864 0.0 . 1 . . . . 42 HIS HE1 . 6592 1 280 . 1 1 42 42 HIS N N 15 118.9 0.0 . 1 . . . . 42 HIS N . 6592 1 281 . 1 1 43 43 VAL H H 1 7.789 0.0 . 1 . . . . 43 VAL H . 6592 1 282 . 1 1 43 43 VAL HA H 1 4.27 0.0 . 1 . . . . 43 VAL HA . 6592 1 283 . 1 1 43 43 VAL HB H 1 2.052 0.0 . 1 . . . . 43 VAL HB . 6592 1 284 . 1 1 43 43 VAL HG11 H 1 0.7993 0.0 . 1 . . . . 43 VAL HG1 . 6592 1 285 . 1 1 43 43 VAL HG12 H 1 0.7993 0.0 . 1 . . . . 43 VAL HG1 . 6592 1 286 . 1 1 43 43 VAL HG13 H 1 0.7993 0.0 . 1 . . . . 43 VAL HG1 . 6592 1 287 . 1 1 43 43 VAL HG21 H 1 0.8956 0.0 . 1 . . . . 43 VAL HG2 . 6592 1 288 . 1 1 43 43 VAL HG22 H 1 0.8956 0.0 . 1 . . . . 43 VAL HG2 . 6592 1 289 . 1 1 43 43 VAL HG23 H 1 0.8956 0.0 . 1 . . . . 43 VAL HG2 . 6592 1 290 . 1 1 43 43 VAL N N 15 120.2 0.0 . 1 . . . . 43 VAL N . 6592 1 291 . 1 1 44 44 ALA H H 1 8.597 0.0 . 1 . . . . 44 ALA H . 6592 1 292 . 1 1 44 44 ALA HA H 1 3.989 0.0 . 1 . . . . 44 ALA HA . 6592 1 293 . 1 1 44 44 ALA HB1 H 1 1.433 0.0 . 1 . . . . 44 ALA HB . 6592 1 294 . 1 1 44 44 ALA HB2 H 1 1.433 0.0 . 1 . . . . 44 ALA HB . 6592 1 295 . 1 1 44 44 ALA HB3 H 1 1.433 0.0 . 1 . . . . 44 ALA HB . 6592 1 296 . 1 1 44 44 ALA N N 15 129.0 0.0 . 1 . . . . 44 ALA N . 6592 1 297 . 1 1 45 45 GLU H H 1 8.657 0.0 . 1 . . . . 45 GLU H . 6592 1 298 . 1 1 45 45 GLU HA H 1 3.981 0.0 . 1 . . . . 45 GLU HA . 6592 1 299 . 1 1 45 45 GLU HB2 H 1 1.792 0.0 . 1 . . . . 45 GLU HB2 . 6592 1 300 . 1 1 45 45 GLU HB3 H 1 1.792 0.0 . 1 . . . . 45 GLU HB3 . 6592 1 301 . 1 1 45 45 GLU N N 15 120.9 0.0 . 1 . . . . 45 GLU N . 6592 1 302 . 1 1 46 46 ASP H H 1 8.741 0.0 . 1 . . . . 46 ASP H . 6592 1 303 . 1 1 46 46 ASP HA H 1 4.324 0.0 . 1 . . . . 46 ASP HA . 6592 1 304 . 1 1 46 46 ASP HB2 H 1 2.711 0.0 . 2 . . . . 46 ASP HB2 . 6592 1 305 . 1 1 46 46 ASP HB3 H 1 2.61 0.0 . 2 . . . . 46 ASP HB3 . 6592 1 306 . 1 1 46 46 ASP N N 15 117.3 0.0 . 1 . . . . 46 ASP N . 6592 1 307 . 1 1 47 47 VAL H H 1 7.17 0.0 . 1 . . . . 47 VAL H . 6592 1 308 . 1 1 47 47 VAL HA H 1 3.572 0.0 . 1 . . . . 47 VAL HA . 6592 1 309 . 1 1 47 47 VAL HB H 1 1.933 0.0 . 1 . . . . 47 VAL HB . 6592 1 310 . 1 1 47 47 VAL HG11 H 1 0.5826 0.0 . 1 . . . . 47 VAL HG1 . 6592 1 311 . 1 1 47 47 VAL HG12 H 1 0.5826 0.0 . 1 . . . . 47 VAL HG1 . 6592 1 312 . 1 1 47 47 VAL HG13 H 1 0.5826 0.0 . 1 . . . . 47 VAL HG1 . 6592 1 313 . 1 1 47 47 VAL HG21 H 1 0.5826 0.0 . 1 . . . . 47 VAL HG2 . 6592 1 314 . 1 1 47 47 VAL HG22 H 1 0.5826 0.0 . 1 . . . . 47 VAL HG2 . 6592 1 315 . 1 1 47 47 VAL HG23 H 1 0.5826 0.0 . 1 . . . . 47 VAL HG2 . 6592 1 316 . 1 1 47 47 VAL N N 15 120.8 0.0 . 1 . . . . 47 VAL N . 6592 1 317 . 1 1 48 48 ALA H H 1 7.776 0.0 . 1 . . . . 48 ALA H . 6592 1 318 . 1 1 48 48 ALA HA H 1 3.688 0.0 . 1 . . . . 48 ALA HA . 6592 1 319 . 1 1 48 48 ALA HB1 H 1 1.317 0.0 . 1 . . . . 48 ALA HB . 6592 1 320 . 1 1 48 48 ALA HB2 H 1 1.317 0.0 . 1 . . . . 48 ALA HB . 6592 1 321 . 1 1 48 48 ALA HB3 H 1 1.317 0.0 . 1 . . . . 48 ALA HB . 6592 1 322 . 1 1 48 48 ALA N N 15 122.8 0.0 . 1 . . . . 48 ALA N . 6592 1 323 . 1 1 49 49 LYS H H 1 8.266 0.0 . 1 . . . . 49 LYS H . 6592 1 324 . 1 1 49 49 LYS HA H 1 3.969 0.0 . 1 . . . . 49 LYS HA . 6592 1 325 . 1 1 49 49 LYS HB2 H 1 1.821 0.0 . 1 . . . . 49 LYS HB2 . 6592 1 326 . 1 1 49 49 LYS HB3 H 1 1.821 0.0 . 1 . . . . 49 LYS HB3 . 6592 1 327 . 1 1 49 49 LYS HG2 H 1 1.318 0.0 . 1 . . . . 49 LYS HG . 6592 1 328 . 1 1 49 49 LYS HG3 H 1 1.318 0.0 . 1 . . . . 49 LYS HG . 6592 1 329 . 1 1 49 49 LYS HD2 H 1 1.423 0.0 . 1 . . . . 49 LYS HD . 6592 1 330 . 1 1 49 49 LYS HD3 H 1 1.423 0.0 . 1 . . . . 49 LYS HD . 6592 1 331 . 1 1 49 49 LYS N N 15 118.4 0.0 . 1 . . . . 49 LYS N . 6592 1 332 . 1 1 50 50 ASP H H 1 7.892 0.0 . 1 . . . . 50 ASP H . 6592 1 333 . 1 1 50 50 ASP HA H 1 4.352 0.0 . 1 . . . . 50 ASP HA . 6592 1 334 . 1 1 50 50 ASP HB2 H 1 2.624 0.0 . 2 . . . . 50 ASP HB2 . 6592 1 335 . 1 1 50 50 ASP HB3 H 1 2.748 0.0 . 2 . . . . 50 ASP HB3 . 6592 1 336 . 1 1 50 50 ASP N N 15 118.4 0.0 . 1 . . . . 50 ASP N . 6592 1 337 . 1 1 51 51 TYR H H 1 7.47 0.0 . 1 . . . . 51 TYR H . 6592 1 338 . 1 1 51 51 TYR HA H 1 4.22 0.0 . 1 . . . . 51 TYR HA . 6592 1 339 . 1 1 51 51 TYR HB2 H 1 2.923 0.0 . 1 . . . . 51 TYR HB2 . 6592 1 340 . 1 1 51 51 TYR HB3 H 1 2.923 0.0 . 1 . . . . 51 TYR HB3 . 6592 1 341 . 1 1 51 51 TYR HD1 H 1 6.963 0.0 . 1 . . . . 51 TYR HD1 . 6592 1 342 . 1 1 51 51 TYR HD2 H 1 6.963 0.0 . 1 . . . . 51 TYR HD2 . 6592 1 343 . 1 1 51 51 TYR HE1 H 1 6.594 0.0 . 1 . . . . 51 TYR HE1 . 6592 1 344 . 1 1 51 51 TYR HE2 H 1 6.594 0.0 . 1 . . . . 51 TYR HE2 . 6592 1 345 . 1 1 51 51 TYR N N 15 119.3 0.0 . 1 . . . . 51 TYR N . 6592 1 346 . 1 1 52 52 GLU H H 1 8.476 0.0 . 1 . . . . 52 GLU H . 6592 1 347 . 1 1 52 52 GLU HA H 1 3.867 0.0 . 1 . . . . 52 GLU HA . 6592 1 348 . 1 1 52 52 GLU HB2 H 1 1.937 0.0 . 2 . . . . 52 GLU HB2 . 6592 1 349 . 1 1 52 52 GLU HB3 H 1 2.114 0.0 . 2 . . . . 52 GLU HB3 . 6592 1 350 . 1 1 52 52 GLU HG2 H 1 2.424 0.0 . 2 . . . . 52 GLU HG2 . 6592 1 351 . 1 1 52 52 GLU HG3 H 1 2.543 0.0 . 2 . . . . 52 GLU HG3 . 6592 1 352 . 1 1 52 52 GLU N N 15 119.9 0.0 . 1 . . . . 52 GLU N . 6592 1 353 . 1 1 53 53 ASP H H 1 8.695 0.0 . 1 . . . . 53 ASP H . 6592 1 354 . 1 1 53 53 ASP HA H 1 4.457 0.0 . 1 . . . . 53 ASP HA . 6592 1 355 . 1 1 53 53 ASP HB2 H 1 2.61 0.0 . 2 . . . . 53 ASP HB2 . 6592 1 356 . 1 1 53 53 ASP HB3 H 1 2.726 0.0 . 2 . . . . 53 ASP HB3 . 6592 1 357 . 1 1 53 53 ASP N N 15 119.5 0.0 . 1 . . . . 53 ASP N . 6592 1 358 . 1 1 54 54 GLY H H 1 7.644 0.0 . 1 . . . . 54 GLY H . 6592 1 359 . 1 1 54 54 GLY HA2 H 1 3.797 0.0 . 2 . . . . 54 GLY HA1 . 6592 1 360 . 1 1 54 54 GLY HA3 H 1 3.983 0.0 . 2 . . . . 54 GLY HA2 . 6592 1 361 . 1 1 54 54 GLY N N 15 107.0 0.0 . 1 . . . . 54 GLY N . 6592 1 362 . 1 1 55 55 LEU H H 1 7.31 0.0 . 1 . . . . 55 LEU H . 6592 1 363 . 1 1 55 55 LEU HA H 1 4.174 0.0 . 1 . . . . 55 LEU HA . 6592 1 364 . 1 1 55 55 LEU HB2 H 1 1.648 0.0 . 2 . . . . 55 LEU HB2 . 6592 1 365 . 1 1 55 55 LEU HB3 H 1 1.336 0.0 . 2 . . . . 55 LEU HB3 . 6592 1 366 . 1 1 55 55 LEU N N 15 120.3 0.0 . 1 . . . . 55 LEU N . 6592 1 367 . 1 1 56 56 GLU H H 1 7.993 0.0 . 1 . . . . 56 GLU H . 6592 1 368 . 1 1 56 56 GLU HA H 1 4.231 0.0 . 1 . . . . 56 GLU HA . 6592 1 369 . 1 1 56 56 GLU HB2 H 1 1.961 0.0 . 2 . . . . 56 GLU HB2 . 6592 1 370 . 1 1 56 56 GLU HB3 H 1 1.826 0.0 . 2 . . . . 56 GLU HB3 . 6592 1 371 . 1 1 56 56 GLU HG2 H 1 2.211 0.0 . 2 . . . . 56 GLU HG2 . 6592 1 372 . 1 1 56 56 GLU HG3 H 1 2.099 0.0 . 2 . . . . 56 GLU HG3 . 6592 1 373 . 1 1 56 56 GLU N N 15 120.5 0.0 . 1 . . . . 56 GLU N . 6592 1 374 . 1 1 57 57 TYR H H 1 7.602 0.0 . 1 . . . . 57 TYR H . 6592 1 375 . 1 1 57 57 TYR HA H 1 4.346 0.0 . 1 . . . . 57 TYR HA . 6592 1 376 . 1 1 57 57 TYR HB2 H 1 2.851 0.0 . 2 . . . . 57 TYR HB2 . 6592 1 377 . 1 1 57 57 TYR HB3 H 1 3.029 0.0 . 2 . . . . 57 TYR HB3 . 6592 1 378 . 1 1 57 57 TYR HD1 H 1 7.062 0.0 . 1 . . . . 57 TYR HD1 . 6592 1 379 . 1 1 57 57 TYR HD2 H 1 7.062 0.0 . 1 . . . . 57 TYR HD2 . 6592 1 380 . 1 1 57 57 TYR HE1 H 1 6.787 0.0 . 1 . . . . 57 TYR HE1 . 6592 1 381 . 1 1 57 57 TYR HE2 H 1 6.787 0.0 . 1 . . . . 57 TYR HE2 . 6592 1 382 . 1 1 57 57 TYR N N 15 125.5 0.0 . 1 . . . . 57 TYR N . 6592 1 stop_ save_