data_18920 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18920 _Entry.Title ; Solution structure of Entamoeba histolytica HP1 chromodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-28 _Entry.Accession_date 2012-12-28 _Entry.Last_release_date 2014-05-12 _Entry.Original_release_date 2014-05-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kimberly Wiggins . R. . 18920 2 Xiaobai Ren . . . 18920 3 Sepideh Khorasanizadeh . . . 18920 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18920 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chromodomain . 18920 'Entamoeba histolytica' . 18920 HP1 . 18920 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18920 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 234 18920 '15N chemical shifts' 65 18920 '1H chemical shifts' 340 18920 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 . . 2014-05-12 2012-12-28 original author . 18920 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18920 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Characterization of putative readers of epigenetic methyl-marks from Entamoeba histolytica' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ibne Ali . . . 18920 1 2 Kimberly Wiggins . R. . 18920 1 3 Xiaobai Ren . . . 18920 1 4 Nick Sherman . . . 18920 1 5 William Petri . . . 18920 1 6 Sepideh Khorasanizadeh . . . 18920 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18920 _Assembly.ID 1 _Assembly.Name 'Entamoeba histolytica HP1 chromodomain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Entamoeba histolytica HP1 chromodomain' 1 $entity A . yes native no no . . . 18920 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18920 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHEVPQTFEVERIVR KKIVHGNTSYLVKWKNYSSK DNTWETEDDIRTKYGDLVDD FEKNQKK ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Entamoeba histolytica HP1 chromodomain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8223.235 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M2L . "Solution Structure Of Entamoeba Histolytica Hp1 Chromodomain" . . . . . 100.00 67 100.00 100.00 3.82e-40 . . . . 18920 1 2 no GB EAL47287 . "hypothetical protein EHI_200710 [Entamoeba histolytica HM-1:IMSS]" . . . . . 89.55 580 100.00 100.00 5.58e-32 . . . . 18920 1 3 no GB EMD45296 . "chromobox protein, putative [Entamoeba histolytica KU27]" . . . . . 89.55 580 100.00 100.00 5.58e-32 . . . . 18920 1 4 no GB EMH75139 . "CHROMO domain containing protein [Entamoeba histolytica HM-1:IMSS-B]" . . . . . 89.55 470 100.00 100.00 2.65e-32 . . . . 18920 1 5 no GB EMS14461 . "chromobox protein [Entamoeba histolytica HM-3:IMSS]" . . . . . 89.55 580 100.00 100.00 5.58e-32 . . . . 18920 1 6 no GB ENY59971 . "chromobox protein, putative [Entamoeba histolytica HM-1:IMSS-A]" . . . . . 89.55 580 100.00 100.00 5.58e-32 . . . . 18920 1 7 no REF XP_652673 . "hypothetical protein [Entamoeba histolytica HM-1:IMSS]" . . . . . 89.55 580 100.00 100.00 5.58e-32 . . . . 18920 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18920 1 2 . HIS . 18920 1 3 . HIS . 18920 1 4 . HIS . 18920 1 5 . HIS . 18920 1 6 . HIS . 18920 1 7 . HIS . 18920 1 8 . GLU . 18920 1 9 . VAL . 18920 1 10 . PRO . 18920 1 11 . GLN . 18920 1 12 . THR . 18920 1 13 . PHE . 18920 1 14 . GLU . 18920 1 15 . VAL . 18920 1 16 . GLU . 18920 1 17 . ARG . 18920 1 18 . ILE . 18920 1 19 . VAL . 18920 1 20 . ARG . 18920 1 21 . LYS . 18920 1 22 . LYS . 18920 1 23 . ILE . 18920 1 24 . VAL . 18920 1 25 . HIS . 18920 1 26 . GLY . 18920 1 27 . ASN . 18920 1 28 . THR . 18920 1 29 . SER . 18920 1 30 . TYR . 18920 1 31 . LEU . 18920 1 32 . VAL . 18920 1 33 . LYS . 18920 1 34 . TRP . 18920 1 35 . LYS . 18920 1 36 . ASN . 18920 1 37 . TYR . 18920 1 38 . SER . 18920 1 39 . SER . 18920 1 40 . LYS . 18920 1 41 . ASP . 18920 1 42 . ASN . 18920 1 43 . THR . 18920 1 44 . TRP . 18920 1 45 . GLU . 18920 1 46 . THR . 18920 1 47 . GLU . 18920 1 48 . ASP . 18920 1 49 . ASP . 18920 1 50 . ILE . 18920 1 51 . ARG . 18920 1 52 . THR . 18920 1 53 . LYS . 18920 1 54 . TYR . 18920 1 55 . GLY . 18920 1 56 . ASP . 18920 1 57 . LEU . 18920 1 58 . VAL . 18920 1 59 . ASP . 18920 1 60 . ASP . 18920 1 61 . PHE . 18920 1 62 . GLU . 18920 1 63 . LYS . 18920 1 64 . ASN . 18920 1 65 . GLN . 18920 1 66 . LYS . 18920 1 67 . LYS . 18920 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18920 1 . HIS 2 2 18920 1 . HIS 3 3 18920 1 . HIS 4 4 18920 1 . HIS 5 5 18920 1 . HIS 6 6 18920 1 . HIS 7 7 18920 1 . GLU 8 8 18920 1 . VAL 9 9 18920 1 . PRO 10 10 18920 1 . GLN 11 11 18920 1 . THR 12 12 18920 1 . PHE 13 13 18920 1 . GLU 14 14 18920 1 . VAL 15 15 18920 1 . GLU 16 16 18920 1 . ARG 17 17 18920 1 . ILE 18 18 18920 1 . VAL 19 19 18920 1 . ARG 20 20 18920 1 . LYS 21 21 18920 1 . LYS 22 22 18920 1 . ILE 23 23 18920 1 . VAL 24 24 18920 1 . HIS 25 25 18920 1 . GLY 26 26 18920 1 . ASN 27 27 18920 1 . THR 28 28 18920 1 . SER 29 29 18920 1 . TYR 30 30 18920 1 . LEU 31 31 18920 1 . VAL 32 32 18920 1 . LYS 33 33 18920 1 . TRP 34 34 18920 1 . LYS 35 35 18920 1 . ASN 36 36 18920 1 . TYR 37 37 18920 1 . SER 38 38 18920 1 . SER 39 39 18920 1 . LYS 40 40 18920 1 . ASP 41 41 18920 1 . ASN 42 42 18920 1 . THR 43 43 18920 1 . TRP 44 44 18920 1 . GLU 45 45 18920 1 . THR 46 46 18920 1 . GLU 47 47 18920 1 . ASP 48 48 18920 1 . ASP 49 49 18920 1 . ILE 50 50 18920 1 . ARG 51 51 18920 1 . THR 52 52 18920 1 . LYS 53 53 18920 1 . TYR 54 54 18920 1 . GLY 55 55 18920 1 . ASP 56 56 18920 1 . LEU 57 57 18920 1 . VAL 58 58 18920 1 . ASP 59 59 18920 1 . ASP 60 60 18920 1 . PHE 61 61 18920 1 . GLU 62 62 18920 1 . LYS 63 63 18920 1 . ASN 64 64 18920 1 . GLN 65 65 18920 1 . LYS 66 66 18920 1 . LYS 67 67 18920 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 18920 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli 'Escherichia coli strain BL21-CodonPlus (DE3)' . . . . . . . . . . . . . . . . . . . . 18920 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 18920 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET46 . . . . . . 18920 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18920 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 15N-labeled _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity [U-15N] . . 1 $entity . . . . . mM . . . . 18920 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18920 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 18920 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18920 1 5 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 18920 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18920 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N, 13C-labeled' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N]' . . 1 $entity . . . . . mM . . . . 18920 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18920 2 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 18920 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18920 2 5 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 18920 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18920 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 75 . mM 18920 1 pH 6.0 . pH 18920 1 pressure 1 . atm 18920 1 temperature 293 . K 18920 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18920 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18920 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18920 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18920 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18920 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18920 2 'data analysis' 18920 2 'peak picking' 18920 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18920 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18920 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18920 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18920 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18920 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18920 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18920 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18920 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18920 5 refinement 18920 5 'structure solution' 18920 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18920 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18920 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18920 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker _NMR_spectrometer.Entry_ID 18920 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18920 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker Bruker Avance . 600 cryoprobe . . 18920 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18920 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 18920 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 18920 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 18920 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 18920 1 5 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 18920 1 6 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 18920 1 7 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 18920 1 8 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker . . . . . . . . . . . . . . . . 18920 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18920 _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 $Bruker _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18920 _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 water protons . . . . ppm 4.7 internal indirect 0.25144952 . . . . . . . . . 18920 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 18920 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.10132905 . . . . . . . . . 18920 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18920 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18920 1 3 '3D CBCA(CO)NH' . . . 18920 1 4 '3D HNCACB' . . . 18920 1 5 '3D HNCO' . . . 18920 1 6 '3D HCCH-TOCSY' . . . 18920 1 7 '3D 1H-15N NOESY' . . . 18920 1 8 '3D 1H-13C NOESY' . . . 18920 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 7 7 HIS HA H 1 4.473 . . 1 . . . . 7 HIS HA . 18920 1 2 . 1 1 7 7 HIS HB2 H 1 3.001 . . 2 . . . . 7 HIS HB2 . 18920 1 3 . 1 1 7 7 HIS C C 13 174.033 . . 1 . . . . 7 HIS C . 18920 1 4 . 1 1 8 8 GLU H H 1 8.452 . . 1 . . . . 8 GLU H . 18920 1 5 . 1 1 8 8 GLU HA H 1 4.161 . . 1 . . . . 8 GLU HA . 18920 1 6 . 1 1 8 8 GLU HB2 H 1 1.777 . . 2 . . . . 8 GLU HB2 . 18920 1 7 . 1 1 8 8 GLU HB3 H 1 1.853 . . 2 . . . . 8 GLU HB3 . 18920 1 8 . 1 1 8 8 GLU C C 13 175.840 . . 1 . . . . 8 GLU C . 18920 1 9 . 1 1 8 8 GLU CA C 13 56.294 . . 1 . . . . 8 GLU CA . 18920 1 10 . 1 1 8 8 GLU CB C 13 30.028 . . 1 . . . . 8 GLU CB . 18920 1 11 . 1 1 8 8 GLU N N 15 122.441 . . 1 . . . . 8 GLU N . 18920 1 12 . 1 1 9 9 VAL H H 1 8.081 . . 1 . . . . 9 VAL H . 18920 1 13 . 1 1 9 9 VAL HA H 1 4.230 . . 1 . . . . 9 VAL HA . 18920 1 14 . 1 1 9 9 VAL HB H 1 1.897 . . 1 . . . . 9 VAL HB . 18920 1 15 . 1 1 9 9 VAL HG11 H 1 0.757 . . 4 . . . . 9 VAL HG11 . 18920 1 16 . 1 1 9 9 VAL HG12 H 1 0.757 . . 4 . . . . 9 VAL HG11 . 18920 1 17 . 1 1 9 9 VAL HG13 H 1 0.757 . . 4 . . . . 9 VAL HG11 . 18920 1 18 . 1 1 9 9 VAL C C 13 205.699 . . 1 . . . . 9 VAL C . 18920 1 19 . 1 1 9 9 VAL CA C 13 59.709 . . 1 . . . . 9 VAL CA . 18920 1 20 . 1 1 9 9 VAL CB C 13 32.239 . . 1 . . . . 9 VAL CB . 18920 1 21 . 1 1 9 9 VAL CG1 C 13 20.146 . . 1 . . . . 9 VAL CG1 . 18920 1 22 . 1 1 9 9 VAL N N 15 121.898 . . 1 . . . . 9 VAL N . 18920 1 23 . 1 1 10 10 PRO HA H 1 4.174 . . 1 . . . . 10 PRO HA . 18920 1 24 . 1 1 10 10 PRO HB2 H 1 2.043 . . 2 . . . . 10 PRO HB2 . 18920 1 25 . 1 1 10 10 PRO HB3 H 1 1.635 . . 2 . . . . 10 PRO HB3 . 18920 1 26 . 1 1 10 10 PRO C C 13 176.744 . . 1 . . . . 10 PRO C . 18920 1 27 . 1 1 11 11 GLN H H 1 8.330 . . 1 . . . . 11 GLN H . 18920 1 28 . 1 1 11 11 GLN HA H 1 4.146 . . 1 . . . . 11 GLN HA . 18920 1 29 . 1 1 11 11 GLN HB2 H 1 1.812 . . 2 . . . . 11 GLN HB2 . 18920 1 30 . 1 1 11 11 GLN HE21 H 1 6.725 . . 2 . . . . 11 GLN HE21 . 18920 1 31 . 1 1 11 11 GLN HE22 H 1 7.351 . . 2 . . . . 11 GLN HE22 . 18920 1 32 . 1 1 11 11 GLN C C 13 175.645 . . 1 . . . . 11 GLN C . 18920 1 33 . 1 1 11 11 GLN CA C 13 55.977 . . 1 . . . . 11 GLN CA . 18920 1 34 . 1 1 11 11 GLN CB C 13 29.431 . . 1 . . . . 11 GLN CB . 18920 1 35 . 1 1 11 11 GLN N N 15 120.335 . . 1 . . . . 11 GLN N . 18920 1 36 . 1 1 11 11 GLN NE2 N 15 112.496 . . 1 . . . . 11 GLN NE2 . 18920 1 37 . 1 1 12 12 THR H H 1 7.807 . . 1 . . . . 12 THR H . 18920 1 38 . 1 1 12 12 THR HA H 1 3.981 . . 1 . . . . 12 THR HA . 18920 1 39 . 1 1 12 12 THR HB H 1 4.130 . . 1 . . . . 12 THR HB . 18920 1 40 . 1 1 12 12 THR HG21 H 1 0.979 . . 1 . . . . 12 THR HG21 . 18920 1 41 . 1 1 12 12 THR HG22 H 1 0.979 . . 1 . . . . 12 THR HG21 . 18920 1 42 . 1 1 12 12 THR HG23 H 1 0.979 . . 1 . . . . 12 THR HG21 . 18920 1 43 . 1 1 12 12 THR C C 13 173.815 . . 1 . . . . 12 THR C . 18920 1 44 . 1 1 12 12 THR CA C 13 69.718 . . 1 . . . . 12 THR CA . 18920 1 45 . 1 1 12 12 THR CG2 C 13 21.719 . . 1 . . . . 12 THR CG2 . 18920 1 46 . 1 1 12 12 THR N N 15 113.844 . . 1 . . . . 12 THR N . 18920 1 47 . 1 1 13 13 PHE H H 1 8.199 . . 1 . . . . 13 PHE H . 18920 1 48 . 1 1 13 13 PHE HA H 1 4.613 . . 1 . . . . 13 PHE HA . 18920 1 49 . 1 1 13 13 PHE HB2 H 1 2.457 . . 2 . . . . 13 PHE HB2 . 18920 1 50 . 1 1 13 13 PHE C C 13 175.044 . . 1 . . . . 13 PHE C . 18920 1 51 . 1 1 13 13 PHE CA C 13 57.393 . . 1 . . . . 13 PHE CA . 18920 1 52 . 1 1 13 13 PHE CB C 13 39.477 . . 1 . . . . 13 PHE CB . 18920 1 53 . 1 1 13 13 PHE N N 15 123.777 . . 1 . . . . 13 PHE N . 18920 1 54 . 1 1 14 14 GLU H H 1 9.167 . . 1 . . . . 14 GLU H . 18920 1 55 . 1 1 14 14 GLU HA H 1 4.831 . . 1 . . . . 14 GLU HA . 18920 1 56 . 1 1 14 14 GLU HB2 H 1 2.000 . . 2 . . . . 14 GLU HB2 . 18920 1 57 . 1 1 14 14 GLU HB3 H 1 1.978 . . 2 . . . . 14 GLU HB3 . 18920 1 58 . 1 1 14 14 GLU C C 13 175.400 . . 1 . . . . 14 GLU C . 18920 1 59 . 1 1 14 14 GLU CA C 13 55.209 . . 1 . . . . 14 GLU CA . 18920 1 60 . 1 1 14 14 GLU CB C 13 33.136 . . 1 . . . . 14 GLU CB . 18920 1 61 . 1 1 14 14 GLU N N 15 123.203 . . 1 . . . . 14 GLU N . 18920 1 62 . 1 1 15 15 VAL H H 1 6.781 . . 1 . . . . 15 VAL H . 18920 1 63 . 1 1 15 15 VAL HA H 1 2.952 . . 1 . . . . 15 VAL HA . 18920 1 64 . 1 1 15 15 VAL HB H 1 0.432 . . 1 . . . . 15 VAL HB . 18920 1 65 . 1 1 15 15 VAL HG11 H 1 -0.072 . . 2 . . . . 15 VAL HG11 . 18920 1 66 . 1 1 15 15 VAL HG12 H 1 -0.072 . . 2 . . . . 15 VAL HG11 . 18920 1 67 . 1 1 15 15 VAL HG13 H 1 -0.072 . . 2 . . . . 15 VAL HG11 . 18920 1 68 . 1 1 15 15 VAL HG21 H 1 -0.245 . . 2 . . . . 15 VAL HG21 . 18920 1 69 . 1 1 15 15 VAL HG22 H 1 -0.245 . . 2 . . . . 15 VAL HG21 . 18920 1 70 . 1 1 15 15 VAL HG23 H 1 -0.245 . . 2 . . . . 15 VAL HG21 . 18920 1 71 . 1 1 15 15 VAL C C 13 173.941 . . 1 . . . . 15 VAL C . 18920 1 72 . 1 1 15 15 VAL CA C 13 63.846 . . 1 . . . . 15 VAL CA . 18920 1 73 . 1 1 15 15 VAL CB C 13 32.269 . . 1 . . . . 15 VAL CB . 18920 1 74 . 1 1 15 15 VAL CG1 C 13 21.307 . . 1 . . . . 15 VAL CG1 . 18920 1 75 . 1 1 15 15 VAL CG2 C 13 23.014 . . 1 . . . . 15 VAL CG2 . 18920 1 76 . 1 1 15 15 VAL N N 15 125.649 . . 1 . . . . 15 VAL N . 18920 1 77 . 1 1 16 16 GLU H H 1 9.120 . . 1 . . . . 16 GLU H . 18920 1 78 . 1 1 16 16 GLU HA H 1 4.059 . . 1 . . . . 16 GLU HA . 18920 1 79 . 1 1 16 16 GLU HB2 H 1 1.561 . . 2 . . . . 16 GLU HB2 . 18920 1 80 . 1 1 16 16 GLU HG2 H 1 2.061 . . 2 . . . . 16 GLU HG1 . 18920 1 81 . 1 1 16 16 GLU C C 13 175.652 . . 1 . . . . 16 GLU C . 18920 1 82 . 1 1 16 16 GLU CA C 13 57.142 . . 1 . . . . 16 GLU CA . 18920 1 83 . 1 1 16 16 GLU CB C 13 32.084 . . 1 . . . . 16 GLU CB . 18920 1 84 . 1 1 16 16 GLU CG C 13 36.976 . . 1 . . . . 16 GLU CG . 18920 1 85 . 1 1 16 16 GLU N N 15 126.949 . . 1 . . . . 16 GLU N . 18920 1 86 . 1 1 17 17 ARG H H 1 7.349 . . 1 . . . . 17 ARG H . 18920 1 87 . 1 1 17 17 ARG HA H 1 4.204 . . 1 . . . . 17 ARG HA . 18920 1 88 . 1 1 17 17 ARG HB2 H 1 1.506 . . 2 . . . . 17 ARG HB2 . 18920 1 89 . 1 1 17 17 ARG HB3 H 1 1.647 . . 2 . . . . 17 ARG HB3 . 18920 1 90 . 1 1 17 17 ARG HG2 H 1 1.102 . . 2 . . . . 17 ARG HG1 . 18920 1 91 . 1 1 17 17 ARG HD2 H 1 3.009 . . 2 . . . . 17 ARG HD1 . 18920 1 92 . 1 1 17 17 ARG C C 13 172.544 . . 1 . . . . 17 ARG C . 18920 1 93 . 1 1 17 17 ARG CA C 13 54.691 . . 1 . . . . 17 ARG CA . 18920 1 94 . 1 1 17 17 ARG CB C 13 32.993 . . 1 . . . . 17 ARG CB . 18920 1 95 . 1 1 17 17 ARG CG C 13 28.885 . . 1 . . . . 17 ARG CG . 18920 1 96 . 1 1 17 17 ARG CD C 13 45.384 . . 1 . . . . 17 ARG CD . 18920 1 97 . 1 1 17 17 ARG N N 15 112.506 . . 1 . . . . 17 ARG N . 18920 1 98 . 1 1 18 18 ILE H H 1 8.401 . . 1 . . . . 18 ILE H . 18920 1 99 . 1 1 18 18 ILE HA H 1 3.737 . . 1 . . . . 18 ILE HA . 18920 1 100 . 1 1 18 18 ILE HB H 1 1.150 . . 1 . . . . 18 ILE HB . 18920 1 101 . 1 1 18 18 ILE HG12 H 1 0.815 . . 1 . . . . 18 ILE HG12 . 18920 1 102 . 1 1 18 18 ILE HG13 H 1 0.426 . . 1 . . . . 18 ILE HG13 . 18920 1 103 . 1 1 18 18 ILE HG21 H 1 -0.266 . . 2 . . . . 18 ILE HG21 . 18920 1 104 . 1 1 18 18 ILE HG22 H 1 -0.266 . . 2 . . . . 18 ILE HG21 . 18920 1 105 . 1 1 18 18 ILE HG23 H 1 -0.266 . . 2 . . . . 18 ILE HG21 . 18920 1 106 . 1 1 18 18 ILE HD11 H 1 -0.019 . . 1 . . . . 18 ILE HD11 . 18920 1 107 . 1 1 18 18 ILE HD12 H 1 -0.019 . . 1 . . . . 18 ILE HD11 . 18920 1 108 . 1 1 18 18 ILE HD13 H 1 -0.019 . . 1 . . . . 18 ILE HD11 . 18920 1 109 . 1 1 18 18 ILE C C 13 174.669 . . 1 . . . . 18 ILE C . 18920 1 110 . 1 1 18 18 ILE CA C 13 60.323 . . 1 . . . . 18 ILE CA . 18920 1 111 . 1 1 18 18 ILE CB C 13 37.442 . . 1 . . . . 18 ILE CB . 18920 1 112 . 1 1 18 18 ILE CG1 C 13 27.559 . . 2 . . . . 18 ILE CG1 . 18920 1 113 . 1 1 18 18 ILE CG2 C 13 17.320 . . 1 . . . . 18 ILE CG2 . 18920 1 114 . 1 1 18 18 ILE CD1 C 13 12.566 . . 1 . . . . 18 ILE CD1 . 18920 1 115 . 1 1 18 18 ILE N N 15 121.949 . . 1 . . . . 18 ILE N . 18920 1 116 . 1 1 19 19 VAL H H 1 8.854 . . 1 . . . . 19 VAL H . 18920 1 117 . 1 1 19 19 VAL HA H 1 3.796 . . 1 . . . . 19 VAL HA . 18920 1 118 . 1 1 19 19 VAL HB H 1 1.468 . . 1 . . . . 19 VAL HB . 18920 1 119 . 1 1 19 19 VAL HG11 H 1 0.680 . . 2 . . . . 19 VAL HG11 . 18920 1 120 . 1 1 19 19 VAL HG12 H 1 0.680 . . 2 . . . . 19 VAL HG11 . 18920 1 121 . 1 1 19 19 VAL HG13 H 1 0.680 . . 2 . . . . 19 VAL HG11 . 18920 1 122 . 1 1 19 19 VAL HG21 H 1 0.488 . . 2 . . . . 19 VAL HG21 . 18920 1 123 . 1 1 19 19 VAL HG22 H 1 0.488 . . 2 . . . . 19 VAL HG21 . 18920 1 124 . 1 1 19 19 VAL HG23 H 1 0.488 . . 2 . . . . 19 VAL HG21 . 18920 1 125 . 1 1 19 19 VAL C C 13 176.047 . . 1 . . . . 19 VAL C . 18920 1 126 . 1 1 19 19 VAL CA C 13 64.079 . . 1 . . . . 19 VAL CA . 18920 1 127 . 1 1 19 19 VAL CB C 13 33.124 . . 1 . . . . 19 VAL CB . 18920 1 128 . 1 1 19 19 VAL CG1 C 13 21.282 . . 1 . . . . 19 VAL CG1 . 18920 1 129 . 1 1 19 19 VAL CG2 C 13 21.242 . . 1 . . . . 19 VAL CG2 . 18920 1 130 . 1 1 19 19 VAL N N 15 124.479 . . 1 . . . . 19 VAL N . 18920 1 131 . 1 1 20 20 ARG H H 1 7.089 . . 1 . . . . 20 ARG H . 18920 1 132 . 1 1 20 20 ARG HA H 1 4.628 . . 1 . . . . 20 ARG HA . 18920 1 133 . 1 1 20 20 ARG HB2 H 1 1.718 . . 2 . . . . 20 ARG HB2 . 18920 1 134 . 1 1 20 20 ARG HB3 H 1 1.885 . . 2 . . . . 20 ARG HB3 . 18920 1 135 . 1 1 20 20 ARG HG2 H 1 1.584 . . 2 . . . . 20 ARG HG2 . 18920 1 136 . 1 1 20 20 ARG HD2 H 1 3.207 . . 2 . . . . 20 ARG HD1 . 18920 1 137 . 1 1 20 20 ARG C C 13 172.368 . . 1 . . . . 20 ARG C . 18920 1 138 . 1 1 20 20 ARG CA C 13 55.376 . . 1 . . . . 20 ARG CA . 18920 1 139 . 1 1 20 20 ARG CB C 13 34.221 . . 1 . . . . 20 ARG CB . 18920 1 140 . 1 1 20 20 ARG CG C 13 27.527 . . 1 . . . . 20 ARG CG . 18920 1 141 . 1 1 20 20 ARG CD C 13 45.806 . . 1 . . . . 20 ARG CD . 18920 1 142 . 1 1 20 20 ARG N N 15 114.850 . . 1 . . . . 20 ARG N . 18920 1 143 . 1 1 21 21 LYS H H 1 8.857 . . 1 . . . . 21 LYS H . 18920 1 144 . 1 1 21 21 LYS HA H 1 5.410 . . 1 . . . . 21 LYS HA . 18920 1 145 . 1 1 21 21 LYS HB2 H 1 1.642 . . 2 . . . . 21 LYS HB2 . 18920 1 146 . 1 1 21 21 LYS HB3 H 1 1.587 . . 2 . . . . 21 LYS HB3 . 18920 1 147 . 1 1 21 21 LYS HG2 H 1 1.288 . . 2 . . . . 21 LYS HG2 . 18920 1 148 . 1 1 21 21 LYS HG3 H 1 0.933 . . 2 . . . . 21 LYS HG3 . 18920 1 149 . 1 1 21 21 LYS HD2 H 1 1.788 . . 2 . . . . 21 LYS HD2 . 18920 1 150 . 1 1 21 21 LYS HD3 H 1 1.714 . . 2 . . . . 21 LYS HD3 . 18920 1 151 . 1 1 21 21 LYS HE2 H 1 2.738 . . 2 . . . . 21 LYS HE2 . 18920 1 152 . 1 1 21 21 LYS C C 13 174.386 . . 1 . . . . 21 LYS C . 18920 1 153 . 1 1 21 21 LYS CA C 13 54.791 . . 1 . . . . 21 LYS CA . 18920 1 154 . 1 1 21 21 LYS CB C 13 37.479 . . 1 . . . . 21 LYS CB . 18920 1 155 . 1 1 21 21 LYS CG C 13 21.843 . . 1 . . . . 21 LYS CG . 18920 1 156 . 1 1 21 21 LYS CD C 13 30.087 . . 1 . . . . 21 LYS CD . 18920 1 157 . 1 1 21 21 LYS CE C 13 38.331 . . 1 . . . . 21 LYS CE . 18920 1 158 . 1 1 21 21 LYS N N 15 120.836 . . 1 . . . . 21 LYS N . 18920 1 159 . 1 1 22 22 LYS H H 1 8.882 . . 1 . . . . 22 LYS H . 18920 1 160 . 1 1 22 22 LYS HA H 1 4.522 . . 1 . . . . 22 LYS HA . 18920 1 161 . 1 1 22 22 LYS HB2 H 1 1.322 . . 2 . . . . 22 LYS HB2 . 18920 1 162 . 1 1 22 22 LYS HB3 H 1 1.282 . . 2 . . . . 22 LYS HB3 . 18920 1 163 . 1 1 22 22 LYS HG2 H 1 0.180 . . 2 . . . . 22 LYS HG2 . 18920 1 164 . 1 1 22 22 LYS HD2 H 1 0.720 . . 2 . . . . 22 LYS HD2 . 18920 1 165 . 1 1 22 22 LYS C C 13 172.715 . . 1 . . . . 22 LYS C . 18920 1 166 . 1 1 22 22 LYS CA C 13 55.213 . . 1 . . . . 22 LYS CA . 18920 1 167 . 1 1 22 22 LYS CB C 13 35.934 . . 1 . . . . 22 LYS CB . 18920 1 168 . 1 1 22 22 LYS CG C 13 20.971 . . 1 . . . . 22 LYS CG . 18920 1 169 . 1 1 22 22 LYS CD C 13 29.218 . . 1 . . . . 22 LYS CD . 18920 1 170 . 1 1 22 22 LYS N N 15 121.988 . . 1 . . . . 22 LYS N . 18920 1 171 . 1 1 23 23 ILE H H 1 8.275 . . 1 . . . . 23 ILE H . 18920 1 172 . 1 1 23 23 ILE HA H 1 4.547 . . 1 . . . . 23 ILE HA . 18920 1 173 . 1 1 23 23 ILE HB H 1 1.479 . . 1 . . . . 23 ILE HB . 18920 1 174 . 1 1 23 23 ILE HG12 H 1 1.226 . . 9 . . . . 23 ILE HG12 . 18920 1 175 . 1 1 23 23 ILE HG13 H 1 0.973 . . 9 . . . . 23 ILE HG13 . 18920 1 176 . 1 1 23 23 ILE HG21 H 1 0.654 . . 2 . . . . 23 ILE HG21 . 18920 1 177 . 1 1 23 23 ILE HG22 H 1 0.654 . . 2 . . . . 23 ILE HG21 . 18920 1 178 . 1 1 23 23 ILE HG23 H 1 0.654 . . 2 . . . . 23 ILE HG21 . 18920 1 179 . 1 1 23 23 ILE HD11 H 1 0.498 . . 1 . . . . 23 ILE HD11 . 18920 1 180 . 1 1 23 23 ILE HD12 H 1 0.498 . . 1 . . . . 23 ILE HD11 . 18920 1 181 . 1 1 23 23 ILE HD13 H 1 0.498 . . 1 . . . . 23 ILE HD11 . 18920 1 182 . 1 1 23 23 ILE C C 13 175.768 . . 1 . . . . 23 ILE C . 18920 1 183 . 1 1 23 23 ILE CA C 13 60.684 . . 1 . . . . 23 ILE CA . 18920 1 184 . 1 1 23 23 ILE CB C 13 39.080 . . 1 . . . . 23 ILE CB . 18920 1 185 . 1 1 23 23 ILE CG2 C 13 13.759 . . 1 . . . . 23 ILE CG2 . 18920 1 186 . 1 1 23 23 ILE CD1 C 13 17.166 . . 1 . . . . 23 ILE CD1 . 18920 1 187 . 1 1 23 23 ILE N N 15 121.909 . . 1 . . . . 23 ILE N . 18920 1 188 . 1 1 24 24 VAL H H 1 8.400 . . 1 . . . . 24 VAL H . 18920 1 189 . 1 1 24 24 VAL HA H 1 3.972 . . 1 . . . . 24 VAL HA . 18920 1 190 . 1 1 24 24 VAL HB H 1 1.691 . . 1 . . . . 24 VAL HB . 18920 1 191 . 1 1 24 24 VAL HG11 H 1 0.540 . . 4 . . . . 24 VAL HG11 . 18920 1 192 . 1 1 24 24 VAL HG12 H 1 0.540 . . 4 . . . . 24 VAL HG11 . 18920 1 193 . 1 1 24 24 VAL HG13 H 1 0.540 . . 4 . . . . 24 VAL HG11 . 18920 1 194 . 1 1 24 24 VAL HG21 H 1 0.498 . . 4 . . . . 24 VAL HG21 . 18920 1 195 . 1 1 24 24 VAL HG22 H 1 0.498 . . 4 . . . . 24 VAL HG21 . 18920 1 196 . 1 1 24 24 VAL HG23 H 1 0.498 . . 4 . . . . 24 VAL HG21 . 18920 1 197 . 1 1 24 24 VAL C C 13 175.932 . . 1 . . . . 24 VAL C . 18920 1 198 . 1 1 24 24 VAL CA C 13 60.939 . . 1 . . . . 24 VAL CA . 18920 1 199 . 1 1 24 24 VAL CB C 13 33.964 . . 1 . . . . 24 VAL CB . 18920 1 200 . 1 1 24 24 VAL CG1 C 13 20.421 . . 2 . . . . 24 VAL CG1 . 18920 1 201 . 1 1 24 24 VAL CG2 C 13 20.421 . . 2 . . . . 24 VAL CG2 . 18920 1 202 . 1 1 24 24 VAL N N 15 127.094 . . 1 . . . . 24 VAL N . 18920 1 203 . 1 1 25 25 HIS H H 1 9.488 . . 1 . . . . 25 HIS H . 18920 1 204 . 1 1 25 25 HIS HA H 1 4.189 . . 1 . . . . 25 HIS HA . 18920 1 205 . 1 1 25 25 HIS HB2 H 1 3.269 . . 2 . . . . 25 HIS HB2 . 18920 1 206 . 1 1 25 25 HIS HB3 H 1 3.091 . . 2 . . . . 25 HIS HB3 . 18920 1 207 . 1 1 25 25 HIS C C 13 174.735 . . 1 . . . . 25 HIS C . 18920 1 208 . 1 1 25 25 HIS CA C 13 56.055 . . 1 . . . . 25 HIS CA . 18920 1 209 . 1 1 25 25 HIS CB C 13 27.429 . . 1 . . . . 25 HIS CB . 18920 1 210 . 1 1 25 25 HIS N N 15 127.536 . . 1 . . . . 25 HIS N . 18920 1 211 . 1 1 26 26 GLY H H 1 8.213 . . 1 . . . . 26 GLY H . 18920 1 212 . 1 1 26 26 GLY HA2 H 1 4.043 . . 2 . . . . 26 GLY HA2 . 18920 1 213 . 1 1 26 26 GLY HA3 H 1 3.378 . . 2 . . . . 26 GLY HA3 . 18920 1 214 . 1 1 26 26 GLY C C 13 173.313 . . 1 . . . . 26 GLY C . 18920 1 215 . 1 1 26 26 GLY CA C 13 45.325 . . 1 . . . . 26 GLY CA . 18920 1 216 . 1 1 26 26 GLY N N 15 102.365 . . 1 . . . . 26 GLY N . 18920 1 217 . 1 1 27 27 ASN H H 1 7.880 . . 1 . . . . 27 ASN H . 18920 1 218 . 1 1 27 27 ASN HA H 1 4.972 . . 1 . . . . 27 ASN HA . 18920 1 219 . 1 1 27 27 ASN HB2 H 1 2.738 . . 2 . . . . 27 ASN HB2 . 18920 1 220 . 1 1 27 27 ASN C C 13 174.699 . . 1 . . . . 27 ASN C . 18920 1 221 . 1 1 27 27 ASN CA C 13 52.242 . . 1 . . . . 27 ASN CA . 18920 1 222 . 1 1 27 27 ASN CB C 13 40.021 . . 1 . . . . 27 ASN CB . 18920 1 223 . 1 1 27 27 ASN N N 15 119.653 . . 1 . . . . 27 ASN N . 18920 1 224 . 1 1 28 28 THR H H 1 9.366 . . 1 . . . . 28 THR H . 18920 1 225 . 1 1 28 28 THR HA H 1 4.690 . . 1 . . . . 28 THR HA . 18920 1 226 . 1 1 28 28 THR HB H 1 3.909 . . 1 . . . . 28 THR HB . 18920 1 227 . 1 1 28 28 THR HG21 H 1 0.616 . . 1 . . . . 28 THR HG21 . 18920 1 228 . 1 1 28 28 THR HG22 H 1 0.616 . . 1 . . . . 28 THR HG21 . 18920 1 229 . 1 1 28 28 THR HG23 H 1 0.616 . . 1 . . . . 28 THR HG21 . 18920 1 230 . 1 1 28 28 THR C C 13 173.869 . . 1 . . . . 28 THR C . 18920 1 231 . 1 1 28 28 THR CA C 13 63.665 . . 1 . . . . 28 THR CA . 18920 1 232 . 1 1 28 28 THR CB C 13 68.974 . . 1 . . . . 28 THR CB . 18920 1 233 . 1 1 28 28 THR CG2 C 13 21.879 . . 1 . . . . 28 THR CG2 . 18920 1 234 . 1 1 28 28 THR N N 15 125.602 . . 1 . . . . 28 THR N . 18920 1 235 . 1 1 29 29 SER H H 1 8.858 . . 1 . . . . 29 SER H . 18920 1 236 . 1 1 29 29 SER HA H 1 5.026 . . 1 . . . . 29 SER HA . 18920 1 237 . 1 1 29 29 SER HB2 H 1 3.695 . . 2 . . . . 29 SER HB2 . 18920 1 238 . 1 1 29 29 SER HB3 H 1 3.368 . . 2 . . . . 29 SER HB3 . 18920 1 239 . 1 1 29 29 SER C C 13 171.133 . . 1 . . . . 29 SER C . 18920 1 240 . 1 1 29 29 SER CA C 13 57.310 . . 1 . . . . 29 SER CA . 18920 1 241 . 1 1 29 29 SER CB C 13 66.693 . . 1 . . . . 29 SER CB . 18920 1 242 . 1 1 29 29 SER N N 15 122.274 . . 1 . . . . 29 SER N . 18920 1 243 . 1 1 30 30 TYR H H 1 9.427 . . 1 . . . . 30 TYR H . 18920 1 244 . 1 1 30 30 TYR HA H 1 5.109 . . 1 . . . . 30 TYR HA . 18920 1 245 . 1 1 30 30 TYR HB2 H 1 2.475 . . 2 . . . . 30 TYR HB2 . 18920 1 246 . 1 1 30 30 TYR HB3 H 1 2.140 . . 2 . . . . 30 TYR HB3 . 18920 1 247 . 1 1 30 30 TYR HD1 H 1 6.494 . . 3 . . . . 30 TYR HD1 . 18920 1 248 . 1 1 30 30 TYR C C 13 173.095 . . 1 . . . . 30 TYR C . 18920 1 249 . 1 1 30 30 TYR CA C 13 56.937 . . 1 . . . . 30 TYR CA . 18920 1 250 . 1 1 30 30 TYR CB C 13 41.783 . . 1 . . . . 30 TYR CB . 18920 1 251 . 1 1 30 30 TYR N N 15 119.509 . . 1 . . . . 30 TYR N . 18920 1 252 . 1 1 31 31 LEU H H 1 8.241 . . 1 . . . . 31 LEU H . 18920 1 253 . 1 1 31 31 LEU HA H 1 3.726 . . 1 . . . . 31 LEU HA . 18920 1 254 . 1 1 31 31 LEU HB2 H 1 0.728 . . 2 . . . . 31 LEU HB2 . 18920 1 255 . 1 1 31 31 LEU HB3 H 1 -1.502 . . 2 . . . . 31 LEU HB3 . 18920 1 256 . 1 1 31 31 LEU HG H 1 0.306 . . 1 . . . . 31 LEU HG . 18920 1 257 . 1 1 31 31 LEU HD11 H 1 -0.599 . . 2 . . . . 31 LEU HD11 . 18920 1 258 . 1 1 31 31 LEU HD12 H 1 -0.599 . . 2 . . . . 31 LEU HD11 . 18920 1 259 . 1 1 31 31 LEU HD13 H 1 -0.599 . . 2 . . . . 31 LEU HD11 . 18920 1 260 . 1 1 31 31 LEU C C 13 174.538 . . 1 . . . . 31 LEU C . 18920 1 261 . 1 1 31 31 LEU CA C 13 53.159 . . 1 . . . . 31 LEU CA . 18920 1 262 . 1 1 31 31 LEU CB C 13 40.939 . . 1 . . . . 31 LEU CB . 18920 1 263 . 1 1 31 31 LEU CG C 13 25.820 . . 1 . . . . 31 LEU CG . 18920 1 264 . 1 1 31 31 LEU CD1 C 13 20.282 . . 1 . . . . 31 LEU CD1 . 18920 1 265 . 1 1 31 31 LEU N N 15 128.030 . . 1 . . . . 31 LEU N . 18920 1 266 . 1 1 32 32 VAL H H 1 8.706 . . 1 . . . . 32 VAL H . 18920 1 267 . 1 1 32 32 VAL HA H 1 1.221 . . 1 . . . . 32 VAL HA . 18920 1 268 . 1 1 32 32 VAL HB H 1 3.958 . . 1 . . . . 32 VAL HB . 18920 1 269 . 1 1 32 32 VAL HG11 H 1 0.026 . . 2 . . . . 32 VAL HG11 . 18920 1 270 . 1 1 32 32 VAL HG12 H 1 0.026 . . 2 . . . . 32 VAL HG11 . 18920 1 271 . 1 1 32 32 VAL HG13 H 1 0.026 . . 2 . . . . 32 VAL HG11 . 18920 1 272 . 1 1 32 32 VAL HG21 H 1 -0.445 . . 2 . . . . 32 VAL HG21 . 18920 1 273 . 1 1 32 32 VAL HG22 H 1 -0.445 . . 2 . . . . 32 VAL HG21 . 18920 1 274 . 1 1 32 32 VAL HG23 H 1 -0.445 . . 2 . . . . 32 VAL HG21 . 18920 1 275 . 1 1 32 32 VAL C C 13 172.489 . . 1 . . . . 32 VAL C . 18920 1 276 . 1 1 32 32 VAL CA C 13 60.574 . . 1 . . . . 32 VAL CA . 18920 1 277 . 1 1 32 32 VAL CB C 13 33.465 . . 1 . . . . 32 VAL CB . 18920 1 278 . 1 1 32 32 VAL CG1 C 13 19.706 . . 1 . . . . 32 VAL CG1 . 18920 1 279 . 1 1 32 32 VAL CG2 C 13 21.096 . . 1 . . . . 32 VAL CG2 . 18920 1 280 . 1 1 32 32 VAL N N 15 125.460 . . 1 . . . . 32 VAL N . 18920 1 281 . 1 1 33 33 LYS H H 1 7.565 . . 1 . . . . 33 LYS H . 18920 1 282 . 1 1 33 33 LYS HA H 1 3.933 . . 1 . . . . 33 LYS HA . 18920 1 283 . 1 1 33 33 LYS HB2 H 1 1.343 . . 2 . . . . 33 LYS HB2 . 18920 1 284 . 1 1 33 33 LYS HB3 H 1 1.405 . . 2 . . . . 33 LYS HB3 . 18920 1 285 . 1 1 33 33 LYS HG2 H 1 1.250 . . 2 . . . . 33 LYS HG2 . 18920 1 286 . 1 1 33 33 LYS HG3 H 1 1.147 . . 2 . . . . 33 LYS HG3 . 18920 1 287 . 1 1 33 33 LYS HD2 H 1 1.774 . . 2 . . . . 33 LYS HD2 . 18920 1 288 . 1 1 33 33 LYS C C 13 175.422 . . 1 . . . . 33 LYS C . 18920 1 289 . 1 1 33 33 LYS CA C 13 60.534 . . 1 . . . . 33 LYS CA . 18920 1 290 . 1 1 33 33 LYS CB C 13 33.959 . . 1 . . . . 33 LYS CB . 18920 1 291 . 1 1 33 33 LYS CG C 13 20.886 . . 1 . . . . 33 LYS CG . 18920 1 292 . 1 1 33 33 LYS CD C 13 29.137 . . 1 . . . . 33 LYS CD . 18920 1 293 . 1 1 33 33 LYS N N 15 122.425 . . 1 . . . . 33 LYS N . 18920 1 294 . 1 1 34 34 TRP H H 1 9.188 . . 1 . . . . 34 TRP H . 18920 1 295 . 1 1 34 34 TRP HA H 1 4.562 . . 1 . . . . 34 TRP HA . 18920 1 296 . 1 1 34 34 TRP HB2 H 1 3.134 . . 2 . . . . 34 TRP HB2 . 18920 1 297 . 1 1 34 34 TRP HB3 H 1 2.879 . . 2 . . . . 34 TRP HB3 . 18920 1 298 . 1 1 34 34 TRP HE1 H 1 10.303 . . 3 . . . . 34 TRP HE1 . 18920 1 299 . 1 1 34 34 TRP C C 13 176.841 . . 1 . . . . 34 TRP C . 18920 1 300 . 1 1 34 34 TRP CA C 13 55.929 . . 1 . . . . 34 TRP CA . 18920 1 301 . 1 1 34 34 TRP CB C 13 30.380 . . 1 . . . . 34 TRP CB . 18920 1 302 . 1 1 34 34 TRP N N 15 131.820 . . 1 . . . . 34 TRP N . 18920 1 303 . 1 1 34 34 TRP NE1 N 15 130.480 . . 1 . . . . 34 TRP NE1 . 18920 1 304 . 1 1 35 35 LYS H H 1 9.066 . . 1 . . . . 35 LYS H . 18920 1 305 . 1 1 35 35 LYS HA H 1 4.049 . . 1 . . . . 35 LYS HA . 18920 1 306 . 1 1 35 35 LYS HB2 H 1 1.662 . . 2 . . . . 35 LYS HB2 . 18920 1 307 . 1 1 35 35 LYS C C 13 177.509 . . 1 . . . . 35 LYS C . 18920 1 308 . 1 1 35 35 LYS CA C 13 58.011 . . 1 . . . . 35 LYS CA . 18920 1 309 . 1 1 35 35 LYS CB C 13 32.962 . . 1 . . . . 35 LYS CB . 18920 1 310 . 1 1 35 35 LYS N N 15 124.504 . . 1 . . . . 35 LYS N . 18920 1 311 . 1 1 36 36 ASN H H 1 9.128 . . 1 . . . . 36 ASN H . 18920 1 312 . 1 1 36 36 ASN HA H 1 4.075 . . 1 . . . . 36 ASN HA . 18920 1 313 . 1 1 36 36 ASN HB2 H 1 2.896 . . 2 . . . . 36 ASN HB2 . 18920 1 314 . 1 1 36 36 ASN HB3 H 1 2.634 . . 2 . . . . 36 ASN HB3 . 18920 1 315 . 1 1 36 36 ASN HD21 H 1 7.375 . . 2 . . . . 36 ASN HD21 . 18920 1 316 . 1 1 36 36 ASN HD22 H 1 6.858 . . 2 . . . . 36 ASN HD22 . 18920 1 317 . 1 1 36 36 ASN C C 13 173.479 . . 1 . . . . 36 ASN C . 18920 1 318 . 1 1 36 36 ASN CA C 13 55.236 . . 1 . . . . 36 ASN CA . 18920 1 319 . 1 1 36 36 ASN CB C 13 37.154 . . 1 . . . . 36 ASN CB . 18920 1 320 . 1 1 36 36 ASN N N 15 115.454 . . 1 . . . . 36 ASN N . 18920 1 321 . 1 1 36 36 ASN ND2 N 15 114.102 . . 1 . . . . 36 ASN ND2 . 18920 1 322 . 1 1 37 37 TYR H H 1 7.670 . . 1 . . . . 37 TYR H . 18920 1 323 . 1 1 37 37 TYR HA H 1 4.585 . . 1 . . . . 37 TYR HA . 18920 1 324 . 1 1 37 37 TYR HB2 H 1 3.271 . . 2 . . . . 37 TYR HB2 . 18920 1 325 . 1 1 37 37 TYR HB3 H 1 2.710 . . 2 . . . . 37 TYR HB3 . 18920 1 326 . 1 1 37 37 TYR C C 13 174.800 . . 1 . . . . 37 TYR C . 18920 1 327 . 1 1 37 37 TYR CA C 13 57.515 . . 1 . . . . 37 TYR CA . 18920 1 328 . 1 1 37 37 TYR N N 15 117.927 . . 1 . . . . 37 TYR N . 18920 1 329 . 1 1 38 38 SER H H 1 8.713 . . 1 . . . . 38 SER H . 18920 1 330 . 1 1 38 38 SER HA H 1 4.423 . . 1 . . . . 38 SER HA . 18920 1 331 . 1 1 38 38 SER HB2 H 1 4.090 . . 2 . . . . 38 SER HB2 . 18920 1 332 . 1 1 38 38 SER HB3 H 1 3.870 . . 2 . . . . 38 SER HB3 . 18920 1 333 . 1 1 38 38 SER C C 13 175.952 . . 1 . . . . 38 SER C . 18920 1 334 . 1 1 38 38 SER CA C 13 57.952 . . 1 . . . . 38 SER CA . 18920 1 335 . 1 1 38 38 SER CB C 13 64.674 . . 1 . . . . 38 SER CB . 18920 1 336 . 1 1 38 38 SER N N 15 115.627 . . 1 . . . . 38 SER N . 18920 1 337 . 1 1 39 39 SER H H 1 8.909 . . 1 . . . . 39 SER H . 18920 1 338 . 1 1 39 39 SER HA H 1 4.439 . . 1 . . . . 39 SER HA . 18920 1 339 . 1 1 39 39 SER HB2 H 1 3.778 . . 2 . . . . 39 SER HB2 . 18920 1 340 . 1 1 39 39 SER C C 13 176.459 . . 1 . . . . 39 SER C . 18920 1 341 . 1 1 39 39 SER CA C 13 60.356 . . 1 . . . . 39 SER CA . 18920 1 342 . 1 1 39 39 SER CB C 13 63.067 . . 1 . . . . 39 SER CB . 18920 1 343 . 1 1 39 39 SER N N 15 118.718 . . 1 . . . . 39 SER N . 18920 1 344 . 1 1 40 40 LYS H H 1 7.995 . . 1 . . . . 40 LYS H . 18920 1 345 . 1 1 40 40 LYS HA H 1 3.967 . . 1 . . . . 40 LYS HA . 18920 1 346 . 1 1 40 40 LYS HB2 H 1 1.577 . . 2 . . . . 40 LYS HB2 . 18920 1 347 . 1 1 40 40 LYS HG2 H 1 1.435 . . 2 . . . . 40 LYS HG1 . 18920 1 348 . 1 1 40 40 LYS HD2 H 1 1.203 . . 2 . . . . 40 LYS HD1 . 18920 1 349 . 1 1 40 40 LYS HE2 H 1 2.772 . . 2 . . . . 40 LYS HE1 . 18920 1 350 . 1 1 40 40 LYS C C 13 176.841 . . 1 . . . . 40 LYS C . 18920 1 351 . 1 1 40 40 LYS CA C 13 58.061 . . 1 . . . . 40 LYS CA . 18920 1 352 . 1 1 40 40 LYS CB C 13 31.651 . . 1 . . . . 40 LYS CB . 18920 1 353 . 1 1 40 40 LYS CG C 13 28.703 . . 1 . . . . 40 LYS CG . 18920 1 354 . 1 1 40 40 LYS CD C 13 28.716 . . 1 . . . . 40 LYS CD . 18920 1 355 . 1 1 40 40 LYS CE C 13 45.206 . . 1 . . . . 40 LYS CE . 18920 1 356 . 1 1 40 40 LYS N N 15 122.520 . . 1 . . . . 40 LYS N . 18920 1 357 . 1 1 41 41 ASP H H 1 7.779 . . 1 . . . . 41 ASP H . 18920 1 358 . 1 1 41 41 ASP HA H 1 4.681 . . 1 . . . . 41 ASP HA . 18920 1 359 . 1 1 41 41 ASP HB2 H 1 2.749 . . 2 . . . . 41 ASP HB2 . 18920 1 360 . 1 1 41 41 ASP C C 13 174.282 . . 1 . . . . 41 ASP C . 18920 1 361 . 1 1 41 41 ASP CA C 13 54.380 . . 1 . . . . 41 ASP CA . 18920 1 362 . 1 1 41 41 ASP CB C 13 41.823 . . 1 . . . . 41 ASP CB . 18920 1 363 . 1 1 41 41 ASP N N 15 118.959 . . 1 . . . . 41 ASP N . 18920 1 364 . 1 1 42 42 ASN H H 1 7.273 . . 1 . . . . 42 ASN H . 18920 1 365 . 1 1 42 42 ASN HA H 1 4.889 . . 1 . . . . 42 ASN HA . 18920 1 366 . 1 1 42 42 ASN HB2 H 1 2.454 . . 2 . . . . 42 ASN HB2 . 18920 1 367 . 1 1 42 42 ASN HB3 H 1 2.199 . . 2 . . . . 42 ASN HB3 . 18920 1 368 . 1 1 42 42 ASN HD21 H 1 6.587 . . 2 . . . . 42 ASN HD21 . 18920 1 369 . 1 1 42 42 ASN C C 13 176.618 . . 1 . . . . 42 ASN C . 18920 1 370 . 1 1 42 42 ASN CA C 13 54.242 . . 1 . . . . 42 ASN CA . 18920 1 371 . 1 1 42 42 ASN CB C 13 37.763 . . 1 . . . . 42 ASN CB . 18920 1 372 . 1 1 42 42 ASN N N 15 118.976 . . 1 . . . . 42 ASN N . 18920 1 373 . 1 1 42 42 ASN ND2 N 15 103.504 . . 1 . . . . 42 ASN ND2 . 18920 1 374 . 1 1 43 43 THR H H 1 7.714 . . 1 . . . . 43 THR H . 18920 1 375 . 1 1 43 43 THR HA H 1 4.643 . . 1 . . . . 43 THR HA . 18920 1 376 . 1 1 43 43 THR HB H 1 4.238 . . 1 . . . . 43 THR HB . 18920 1 377 . 1 1 43 43 THR HG21 H 1 1.166 . . 1 . . . . 43 THR HG21 . 18920 1 378 . 1 1 43 43 THR HG22 H 1 1.166 . . 1 . . . . 43 THR HG21 . 18920 1 379 . 1 1 43 43 THR HG23 H 1 1.166 . . 1 . . . . 43 THR HG21 . 18920 1 380 . 1 1 43 43 THR C C 13 173.379 . . 1 . . . . 43 THR C . 18920 1 381 . 1 1 43 43 THR CA C 13 59.458 . . 1 . . . . 43 THR CA . 18920 1 382 . 1 1 43 43 THR CB C 13 71.803 . . 1 . . . . 43 THR CB . 18920 1 383 . 1 1 43 43 THR CG2 C 13 23.344 . . 1 . . . . 43 THR CG2 . 18920 1 384 . 1 1 43 43 THR N N 15 110.792 . . 1 . . . . 43 THR N . 18920 1 385 . 1 1 44 44 TRP H H 1 8.545 . . 1 . . . . 44 TRP H . 18920 1 386 . 1 1 44 44 TRP HA H 1 4.968 . . 1 . . . . 44 TRP HA . 18920 1 387 . 1 1 44 44 TRP HB2 H 1 2.797 . . 2 . . . . 44 TRP HB2 . 18920 1 388 . 1 1 44 44 TRP HB3 H 1 2.958 . . 2 . . . . 44 TRP HB3 . 18920 1 389 . 1 1 44 44 TRP HE1 H 1 10.148 . . 3 . . . . 44 TRP HE1 . 18920 1 390 . 1 1 44 44 TRP C C 13 176.525 . . 1 . . . . 44 TRP C . 18920 1 391 . 1 1 44 44 TRP CA C 13 56.335 . . 1 . . . . 44 TRP CA . 18920 1 392 . 1 1 44 44 TRP CB C 13 29.359 . . 1 . . . . 44 TRP CB . 18920 1 393 . 1 1 44 44 TRP N N 15 121.756 . . 1 . . . . 44 TRP N . 18920 1 394 . 1 1 44 44 TRP NE1 N 15 129.838 . . 1 . . . . 44 TRP NE1 . 18920 1 395 . 1 1 45 45 GLU H H 1 9.585 . . 1 . . . . 45 GLU H . 18920 1 396 . 1 1 45 45 GLU HA H 1 4.931 . . 1 . . . . 45 GLU HA . 18920 1 397 . 1 1 45 45 GLU HB2 H 1 2.238 . . 2 . . . . 45 GLU HB2 . 18920 1 398 . 1 1 45 45 GLU HB3 H 1 1.485 . . 2 . . . . 45 GLU HB3 . 18920 1 399 . 1 1 45 45 GLU HG2 H 1 2.165 . . 2 . . . . 45 GLU HG2 . 18920 1 400 . 1 1 45 45 GLU HG3 H 1 1.501 . . 2 . . . . 45 GLU HG3 . 18920 1 401 . 1 1 45 45 GLU C C 13 176.416 . . 1 . . . . 45 GLU C . 18920 1 402 . 1 1 45 45 GLU CA C 13 52.976 . . 1 . . . . 45 GLU CA . 18920 1 403 . 1 1 45 45 GLU CB C 13 32.897 . . 1 . . . . 45 GLU CB . 18920 1 404 . 1 1 45 45 GLU CG C 13 37.875 . . 1 . . . . 45 GLU CG . 18920 1 405 . 1 1 45 45 GLU N N 15 123.202 . . 1 . . . . 45 GLU N . 18920 1 406 . 1 1 46 46 THR H H 1 9.600 . . 1 . . . . 46 THR H . 18920 1 407 . 1 1 46 46 THR HA H 1 4.648 . . 1 . . . . 46 THR HA . 18920 1 408 . 1 1 46 46 THR HB H 1 4.397 . . 1 . . . . 46 THR HB . 18920 1 409 . 1 1 46 46 THR HG21 H 1 1.302 . . 1 . . . . 46 THR HG21 . 18920 1 410 . 1 1 46 46 THR HG22 H 1 1.302 . . 1 . . . . 46 THR HG21 . 18920 1 411 . 1 1 46 46 THR HG23 H 1 1.302 . . 1 . . . . 46 THR HG21 . 18920 1 412 . 1 1 46 46 THR C C 13 175.230 . . 1 . . . . 46 THR C . 18920 1 413 . 1 1 46 46 THR CA C 13 62.100 . . 1 . . . . 46 THR CA . 18920 1 414 . 1 1 46 46 THR CB C 13 70.361 . . 1 . . . . 46 THR CB . 18920 1 415 . 1 1 46 46 THR CG2 C 13 22.333 . . 1 . . . . 46 THR CG2 . 18920 1 416 . 1 1 46 46 THR N N 15 114.506 . . 1 . . . . 46 THR N . 18920 1 417 . 1 1 47 47 GLU H H 1 8.061 . . 1 . . . . 47 GLU H . 18920 1 418 . 1 1 47 47 GLU HA H 1 3.923 . . 1 . . . . 47 GLU HA . 18920 1 419 . 1 1 47 47 GLU HB2 H 1 2.047 . . 2 . . . . 47 GLU HB2 . 18920 1 420 . 1 1 47 47 GLU HB3 H 1 1.990 . . 2 . . . . 47 GLU HB3 . 18920 1 421 . 1 1 47 47 GLU HG2 H 1 2.296 . . 2 . . . . 47 GLU HG2 . 18920 1 422 . 1 1 47 47 GLU C C 13 177.520 . . 1 . . . . 47 GLU C . 18920 1 423 . 1 1 47 47 GLU CA C 13 60.258 . . 1 . . . . 47 GLU CA . 18920 1 424 . 1 1 47 47 GLU CB C 13 29.748 . . 1 . . . . 47 GLU CB . 18920 1 425 . 1 1 47 47 GLU CG C 13 36.847 . . 1 . . . . 47 GLU CG . 18920 1 426 . 1 1 47 47 GLU N N 15 120.678 . . 1 . . . . 47 GLU N . 18920 1 427 . 1 1 48 48 ASP H H 1 8.482 . . 1 . . . . 48 ASP H . 18920 1 428 . 1 1 48 48 ASP HA H 1 4.272 . . 1 . . . . 48 ASP HA . 18920 1 429 . 1 1 48 48 ASP HB2 H 1 2.496 . . 2 . . . . 48 ASP HB2 . 18920 1 430 . 1 1 48 48 ASP C C 13 178.251 . . 1 . . . . 48 ASP C . 18920 1 431 . 1 1 48 48 ASP CA C 13 57.323 . . 1 . . . . 48 ASP CA . 18920 1 432 . 1 1 48 48 ASP CB C 13 40.543 . . 1 . . . . 48 ASP CB . 18920 1 433 . 1 1 48 48 ASP N N 15 115.598 . . 1 . . . . 48 ASP N . 18920 1 434 . 1 1 49 49 ASP H H 1 7.747 . . 1 . . . . 49 ASP H . 18920 1 435 . 1 1 49 49 ASP HA H 1 4.457 . . 1 . . . . 49 ASP HA . 18920 1 436 . 1 1 49 49 ASP HB2 H 1 2.932 . . 2 . . . . 49 ASP HB2 . 18920 1 437 . 1 1 49 49 ASP HB3 H 1 2.671 . . 2 . . . . 49 ASP HB3 . 18920 1 438 . 1 1 49 49 ASP C C 13 178.830 . . 1 . . . . 49 ASP C . 18920 1 439 . 1 1 49 49 ASP CA C 13 57.121 . . 1 . . . . 49 ASP CA . 18920 1 440 . 1 1 49 49 ASP CB C 13 40.149 . . 1 . . . . 49 ASP CB . 18920 1 441 . 1 1 49 49 ASP N N 15 119.029 . . 1 . . . . 49 ASP N . 18920 1 442 . 1 1 50 50 ILE H H 1 8.076 . . 1 . . . . 50 ILE H . 18920 1 443 . 1 1 50 50 ILE HA H 1 4.224 . . 1 . . . . 50 ILE HA . 18920 1 444 . 1 1 50 50 ILE HB H 1 1.871 . . 1 . . . . 50 ILE HB . 18920 1 445 . 1 1 50 50 ILE HG12 H 1 1.435 . . 9 . . . . 50 ILE HG12 . 18920 1 446 . 1 1 50 50 ILE HG13 H 1 1.141 . . 9 . . . . 50 ILE HG13 . 18920 1 447 . 1 1 50 50 ILE HG21 H 1 0.644 . . 2 . . . . 50 ILE HG21 . 18920 1 448 . 1 1 50 50 ILE HG22 H 1 0.644 . . 2 . . . . 50 ILE HG21 . 18920 1 449 . 1 1 50 50 ILE HG23 H 1 0.644 . . 2 . . . . 50 ILE HG21 . 18920 1 450 . 1 1 50 50 ILE HD11 H 1 0.496 . . 1 . . . . 50 ILE HD11 . 18920 1 451 . 1 1 50 50 ILE HD12 H 1 0.496 . . 1 . . . . 50 ILE HD11 . 18920 1 452 . 1 1 50 50 ILE HD13 H 1 0.496 . . 1 . . . . 50 ILE HD11 . 18920 1 453 . 1 1 50 50 ILE C C 13 177.197 . . 1 . . . . 50 ILE C . 18920 1 454 . 1 1 50 50 ILE CA C 13 61.811 . . 1 . . . . 50 ILE CA . 18920 1 455 . 1 1 50 50 ILE CB C 13 37.591 . . 1 . . . . 50 ILE CB . 18920 1 456 . 1 1 50 50 ILE CG1 C 13 28.897 . . 2 . . . . 50 ILE CG1 . 18920 1 457 . 1 1 50 50 ILE CG2 C 13 18.316 . . 1 . . . . 50 ILE CG2 . 18920 1 458 . 1 1 50 50 ILE CD1 C 13 11.900 . . 1 . . . . 50 ILE CD1 . 18920 1 459 . 1 1 50 50 ILE N N 15 118.126 . . 1 . . . . 50 ILE N . 18920 1 460 . 1 1 51 51 ARG H H 1 8.705 . . 1 . . . . 51 ARG H . 18920 1 461 . 1 1 51 51 ARG HA H 1 3.628 . . 1 . . . . 51 ARG HA . 18920 1 462 . 1 1 51 51 ARG HB3 H 1 1.850 . . 2 . . . . 51 ARG HB3 . 18920 1 463 . 1 1 51 51 ARG HG2 H 1 1.455 . . 2 . . . . 51 ARG HG2 . 18920 1 464 . 1 1 51 51 ARG HD2 H 1 3.112 . . 2 . . . . 51 ARG HD2 . 18920 1 465 . 1 1 51 51 ARG HD3 H 1 3.187 . . 2 . . . . 51 ARG HD3 . 18920 1 466 . 1 1 51 51 ARG C C 13 177.257 . . 1 . . . . 51 ARG C . 18920 1 467 . 1 1 51 51 ARG CA C 13 59.972 . . 1 . . . . 51 ARG CA . 18920 1 468 . 1 1 51 51 ARG CB C 13 30.117 . . 1 . . . . 51 ARG CB . 18920 1 469 . 1 1 51 51 ARG CG C 13 28.324 . . 1 . . . . 51 ARG CG . 18920 1 470 . 1 1 51 51 ARG CD C 13 43.030 . . 1 . . . . 51 ARG CD . 18920 1 471 . 1 1 51 51 ARG N N 15 119.496 . . 1 . . . . 51 ARG N . 18920 1 472 . 1 1 52 52 THR H H 1 7.461 . . 1 . . . . 52 THR H . 18920 1 473 . 1 1 52 52 THR HA H 1 4.164 . . 1 . . . . 52 THR HA . 18920 1 474 . 1 1 52 52 THR HB H 1 3.857 . . 1 . . . . 52 THR HB . 18920 1 475 . 1 1 52 52 THR HG21 H 1 1.180 . . 1 . . . . 52 THR HG21 . 18920 1 476 . 1 1 52 52 THR HG22 H 1 1.180 . . 1 . . . . 52 THR HG21 . 18920 1 477 . 1 1 52 52 THR HG23 H 1 1.180 . . 1 . . . . 52 THR HG21 . 18920 1 478 . 1 1 52 52 THR C C 13 175.780 . . 1 . . . . 52 THR C . 18920 1 479 . 1 1 52 52 THR CA C 13 68.578 . . 1 . . . . 52 THR CA . 18920 1 480 . 1 1 52 52 THR CB C 13 66.264 . . 1 . . . . 52 THR CB . 18920 1 481 . 1 1 52 52 THR CG2 C 13 21.612 . . 1 . . . . 52 THR CG2 . 18920 1 482 . 1 1 52 52 THR N N 15 112.181 . . 1 . . . . 52 THR N . 18920 1 483 . 1 1 53 53 LYS H H 1 7.404 . . 1 . . . . 53 LYS H . 18920 1 484 . 1 1 53 53 LYS HA H 1 4.203 . . 1 . . . . 53 LYS HA . 18920 1 485 . 1 1 53 53 LYS HB2 H 1 1.140 . . 2 . . . . 53 LYS HB2 . 18920 1 486 . 1 1 53 53 LYS HB3 H 1 1.058 . . 2 . . . . 53 LYS HB3 . 18920 1 487 . 1 1 53 53 LYS HG2 H 1 0.864 . . 2 . . . . 53 LYS HG2 . 18920 1 488 . 1 1 53 53 LYS HD2 H 1 1.491 . . 2 . . . . 53 LYS HD2 . 18920 1 489 . 1 1 53 53 LYS HD3 H 1 1.215 . . 2 . . . . 53 LYS HD3 . 18920 1 490 . 1 1 53 53 LYS HE2 H 1 2.836 . . 2 . . . . 53 LYS HE2 . 18920 1 491 . 1 1 53 53 LYS C C 13 176.578 . . 1 . . . . 53 LYS C . 18920 1 492 . 1 1 53 53 LYS CA C 13 56.978 . . 1 . . . . 53 LYS CA . 18920 1 493 . 1 1 53 53 LYS CB C 13 34.845 . . 1 . . . . 53 LYS CB . 18920 1 494 . 1 1 53 53 LYS CG C 13 25.871 . . 1 . . . . 53 LYS CG . 18920 1 495 . 1 1 53 53 LYS CD C 13 25.852 . . 1 . . . . 53 LYS CD . 18920 1 496 . 1 1 53 53 LYS CE C 13 42.260 . . 1 . . . . 53 LYS CE . 18920 1 497 . 1 1 53 53 LYS N N 15 117.706 . . 1 . . . . 53 LYS N . 18920 1 498 . 1 1 54 54 TYR H H 1 7.968 . . 1 . . . . 54 TYR H . 18920 1 499 . 1 1 54 54 TYR HA H 1 5.012 . . 1 . . . . 54 TYR HA . 18920 1 500 . 1 1 54 54 TYR HB2 H 1 3.134 . . 2 . . . . 54 TYR HB2 . 18920 1 501 . 1 1 54 54 TYR HB3 H 1 2.677 . . 2 . . . . 54 TYR HB3 . 18920 1 502 . 1 1 54 54 TYR C C 13 176.416 . . 1 . . . . 54 TYR C . 18920 1 503 . 1 1 54 54 TYR CA C 13 56.202 . . 1 . . . . 54 TYR CA . 18920 1 504 . 1 1 54 54 TYR CB C 13 37.249 . . 1 . . . . 54 TYR CB . 18920 1 505 . 1 1 54 54 TYR N N 15 117.436 . . 1 . . . . 54 TYR N . 18920 1 506 . 1 1 55 55 GLY H H 1 8.271 . . 1 . . . . 55 GLY H . 18920 1 507 . 1 1 55 55 GLY HA2 H 1 3.994 . . 2 . . . . 55 GLY HA2 . 18920 1 508 . 1 1 55 55 GLY HA3 H 1 3.486 . . 2 . . . . 55 GLY HA3 . 18920 1 509 . 1 1 55 55 GLY C C 13 175.162 . . 1 . . . . 55 GLY C . 18920 1 510 . 1 1 55 55 GLY CA C 13 48.581 . . 1 . . . . 55 GLY CA . 18920 1 511 . 1 1 55 55 GLY N N 15 109.609 . . 1 . . . . 55 GLY N . 18920 1 512 . 1 1 56 56 ASP H H 1 8.580 . . 1 . . . . 56 ASP H . 18920 1 513 . 1 1 56 56 ASP HA H 1 4.277 . . 1 . . . . 56 ASP HA . 18920 1 514 . 1 1 56 56 ASP HB2 H 1 2.551 . . 2 . . . . 56 ASP HB2 . 18920 1 515 . 1 1 56 56 ASP C C 13 178.499 . . 1 . . . . 56 ASP C . 18920 1 516 . 1 1 56 56 ASP CA C 13 56.953 . . 1 . . . . 56 ASP CA . 18920 1 517 . 1 1 56 56 ASP CB C 13 39.174 . . 1 . . . . 56 ASP CB . 18920 1 518 . 1 1 56 56 ASP CG C 13 2.637 . . 1 . . . . 56 ASP CG . 18920 1 519 . 1 1 56 56 ASP N N 15 118.909 . . 1 . . . . 56 ASP N . 18920 1 520 . 1 1 57 57 LEU H H 1 7.466 . . 1 . . . . 57 LEU H . 18920 1 521 . 1 1 57 57 LEU HA H 1 4.054 . . 1 . . . . 57 LEU HA . 18920 1 522 . 1 1 57 57 LEU HB2 H 1 1.920 . . 2 . . . . 57 LEU HB2 . 18920 1 523 . 1 1 57 57 LEU HB3 H 1 1.368 . . 2 . . . . 57 LEU HB3 . 18920 1 524 . 1 1 57 57 LEU HG H 1 1.267 . . 1 . . . . 57 LEU HG . 18920 1 525 . 1 1 57 57 LEU HD11 H 1 0.634 . . 2 . . . . 57 LEU HD11 . 18920 1 526 . 1 1 57 57 LEU HD12 H 1 0.634 . . 2 . . . . 57 LEU HD11 . 18920 1 527 . 1 1 57 57 LEU HD13 H 1 0.634 . . 2 . . . . 57 LEU HD11 . 18920 1 528 . 1 1 57 57 LEU HD21 H 1 0.632 . . 2 . . . . 57 LEU HD21 . 18920 1 529 . 1 1 57 57 LEU HD22 H 1 0.632 . . 2 . . . . 57 LEU HD21 . 18920 1 530 . 1 1 57 57 LEU HD23 H 1 0.632 . . 2 . . . . 57 LEU HD21 . 18920 1 531 . 1 1 57 57 LEU C C 13 180.581 . . 1 . . . . 57 LEU C . 18920 1 532 . 1 1 57 57 LEU CA C 13 57.380 . . 1 . . . . 57 LEU CA . 18920 1 533 . 1 1 57 57 LEU CB C 13 41.230 . . 1 . . . . 57 LEU CB . 18920 1 534 . 1 1 57 57 LEU CG C 13 28.714 . . 1 . . . . 57 LEU CG . 18920 1 535 . 1 1 57 57 LEU CD1 C 13 25.792 . . 1 . . . . 57 LEU CD1 . 18920 1 536 . 1 1 57 57 LEU CD2 C 13 23.618 . . 1 . . . . 57 LEU CD2 . 18920 1 537 . 1 1 57 57 LEU N N 15 120.826 . . 1 . . . . 57 LEU N . 18920 1 538 . 1 1 58 58 VAL H H 1 7.751 . . 1 . . . . 58 VAL H . 18920 1 539 . 1 1 58 58 VAL HA H 1 3.133 . . 1 . . . . 58 VAL HA . 18920 1 540 . 1 1 58 58 VAL HB H 1 1.916 . . 1 . . . . 58 VAL HB . 18920 1 541 . 1 1 58 58 VAL HG11 H 1 0.721 . . 2 . . . . 58 VAL HG11 . 18920 1 542 . 1 1 58 58 VAL HG12 H 1 0.721 . . 2 . . . . 58 VAL HG11 . 18920 1 543 . 1 1 58 58 VAL HG13 H 1 0.721 . . 2 . . . . 58 VAL HG11 . 18920 1 544 . 1 1 58 58 VAL HG21 H 1 0.414 . . 2 . . . . 58 VAL HG21 . 18920 1 545 . 1 1 58 58 VAL HG22 H 1 0.414 . . 2 . . . . 58 VAL HG21 . 18920 1 546 . 1 1 58 58 VAL HG23 H 1 0.414 . . 2 . . . . 58 VAL HG21 . 18920 1 547 . 1 1 58 58 VAL C C 13 177.119 . . 1 . . . . 58 VAL C . 18920 1 548 . 1 1 58 58 VAL CA C 13 66.596 . . 1 . . . . 58 VAL CA . 18920 1 549 . 1 1 58 58 VAL CB C 13 31.136 . . 1 . . . . 58 VAL CB . 18920 1 550 . 1 1 58 58 VAL CG1 C 13 22.458 . . 1 . . . . 58 VAL CG1 . 18920 1 551 . 1 1 58 58 VAL CG2 C 13 23.365 . . 1 . . . . 58 VAL CG2 . 18920 1 552 . 1 1 58 58 VAL N N 15 121.302 . . 1 . . . . 58 VAL N . 18920 1 553 . 1 1 59 59 ASP H H 1 8.267 . . 1 . . . . 59 ASP H . 18920 1 554 . 1 1 59 59 ASP HA H 1 4.269 . . 1 . . . . 59 ASP HA . 18920 1 555 . 1 1 59 59 ASP HB2 H 1 2.551 . . 2 . . . . 59 ASP HB2 . 18920 1 556 . 1 1 59 59 ASP HB3 H 1 2.684 . . 2 . . . . 59 ASP HB3 . 18920 1 557 . 1 1 59 59 ASP C C 13 178.945 . . 1 . . . . 59 ASP C . 18920 1 558 . 1 1 59 59 ASP CA C 13 57.577 . . 1 . . . . 59 ASP CA . 18920 1 559 . 1 1 59 59 ASP CB C 13 39.897 . . 1 . . . . 59 ASP CB . 18920 1 560 . 1 1 59 59 ASP N N 15 120.239 . . 1 . . . . 59 ASP N . 18920 1 561 . 1 1 60 60 ASP H H 1 7.858 . . 1 . . . . 60 ASP H . 18920 1 562 . 1 1 60 60 ASP HA H 1 4.223 . . 1 . . . . 60 ASP HA . 18920 1 563 . 1 1 60 60 ASP HB2 H 1 2.596 . . 2 . . . . 60 ASP HB2 . 18920 1 564 . 1 1 60 60 ASP C C 13 177.580 . . 1 . . . . 60 ASP C . 18920 1 565 . 1 1 60 60 ASP CA C 13 57.484 . . 1 . . . . 60 ASP CA . 18920 1 566 . 1 1 60 60 ASP CB C 13 41.493 . . 1 . . . . 60 ASP CB . 18920 1 567 . 1 1 60 60 ASP N N 15 119.304 . . 1 . . . . 60 ASP N . 18920 1 568 . 1 1 61 61 PHE H H 1 7.778 . . 1 . . . . 61 PHE H . 18920 1 569 . 1 1 61 61 PHE HA H 1 4.092 . . 1 . . . . 61 PHE HA . 18920 1 570 . 1 1 61 61 PHE HB2 H 1 3.075 . . 2 . . . . 61 PHE HB2 . 18920 1 571 . 1 1 61 61 PHE C C 13 178.336 . . 1 . . . . 61 PHE C . 18920 1 572 . 1 1 61 61 PHE CA C 13 61.576 . . 1 . . . . 61 PHE CA . 18920 1 573 . 1 1 61 61 PHE CB C 13 39.146 . . 1 . . . . 61 PHE CB . 18920 1 574 . 1 1 61 61 PHE N N 15 120.605 . . 1 . . . . 61 PHE N . 18920 1 575 . 1 1 62 62 GLU H H 1 8.665 . . 1 . . . . 62 GLU H . 18920 1 576 . 1 1 62 62 GLU HA H 1 3.874 . . 1 . . . . 62 GLU HA . 18920 1 577 . 1 1 62 62 GLU HB2 H 1 2.012 . . 2 . . . . 62 GLU HB2 . 18920 1 578 . 1 1 62 62 GLU HB3 H 1 1.926 . . 2 . . . . 62 GLU HB3 . 18920 1 579 . 1 1 62 62 GLU HG2 H 1 2.537 . . 2 . . . . 62 GLU HG2 . 18920 1 580 . 1 1 62 62 GLU HG3 H 1 2.457 . . 2 . . . . 62 GLU HG3 . 18920 1 581 . 1 1 62 62 GLU C C 13 179.540 . . 1 . . . . 62 GLU C . 18920 1 582 . 1 1 62 62 GLU CA C 13 58.441 . . 1 . . . . 62 GLU CA . 18920 1 583 . 1 1 62 62 GLU CB C 13 29.005 . . 1 . . . . 62 GLU CB . 18920 1 584 . 1 1 62 62 GLU CG C 13 36.803 . . 1 . . . . 62 GLU CG . 18920 1 585 . 1 1 62 62 GLU N N 15 118.118 . . 1 . . . . 62 GLU N . 18920 1 586 . 1 1 63 63 LYS H H 1 7.916 . . 1 . . . . 63 LYS H . 18920 1 587 . 1 1 63 63 LYS HA H 1 3.969 . . 1 . . . . 63 LYS HA . 18920 1 588 . 1 1 63 63 LYS HB2 H 1 1.785 . . 2 . . . . 63 LYS HB2 . 18920 1 589 . 1 1 63 63 LYS HB3 H 1 1.753 . . 2 . . . . 63 LYS HB3 . 18920 1 590 . 1 1 63 63 LYS HG2 H 1 1.400 . . 2 . . . . 63 LYS HG2 . 18920 1 591 . 1 1 63 63 LYS HG3 H 1 1.332 . . 2 . . . . 63 LYS HG3 . 18920 1 592 . 1 1 63 63 LYS HD2 H 1 1.546 . . 2 . . . . 63 LYS HD2 . 18920 1 593 . 1 1 63 63 LYS HE2 H 1 2.831 . . 2 . . . . 63 LYS HE2 . 18920 1 594 . 1 1 63 63 LYS C C 13 177.766 . . 1 . . . . 63 LYS C . 18920 1 595 . 1 1 63 63 LYS CA C 13 58.699 . . 1 . . . . 63 LYS CA . 18920 1 596 . 1 1 63 63 LYS CB C 13 32.249 . . 1 . . . . 63 LYS CB . 18920 1 597 . 1 1 63 63 LYS CG C 13 28.657 . . 1 . . . . 63 LYS CG . 18920 1 598 . 1 1 63 63 LYS CD C 13 28.663 . . 1 . . . . 63 LYS CD . 18920 1 599 . 1 1 63 63 LYS CE C 13 45.133 . . 1 . . . . 63 LYS CE . 18920 1 600 . 1 1 63 63 LYS N N 15 118.804 . . 1 . . . . 63 LYS N . 18920 1 601 . 1 1 64 64 ASN H H 1 7.452 . . 1 . . . . 64 ASN H . 18920 1 602 . 1 1 64 64 ASN HA H 1 4.535 . . 1 . . . . 64 ASN HA . 18920 1 603 . 1 1 64 64 ASN HB2 H 1 2.566 . . 2 . . . . 64 ASN HB2 . 18920 1 604 . 1 1 64 64 ASN HB3 H 1 2.663 . . 2 . . . . 64 ASN HB3 . 18920 1 605 . 1 1 64 64 ASN HD21 H 1 7.437 . . 2 . . . . 64 ASN HD21 . 18920 1 606 . 1 1 64 64 ASN HD22 H 1 6.785 . . 2 . . . . 64 ASN HD22 . 18920 1 607 . 1 1 64 64 ASN C C 13 175.374 . . 1 . . . . 64 ASN C . 18920 1 608 . 1 1 64 64 ASN CA C 13 53.835 . . 1 . . . . 64 ASN CA . 18920 1 609 . 1 1 64 64 ASN CB C 13 39.109 . . 1 . . . . 64 ASN CB . 18920 1 610 . 1 1 64 64 ASN N N 15 115.842 . . 1 . . . . 64 ASN N . 18920 1 611 . 1 1 64 64 ASN ND2 N 15 114.423 . . 1 . . . . 64 ASN ND2 . 18920 1 612 . 1 1 65 65 GLN H H 1 7.428 . . 1 . . . . 65 GLN H . 18920 1 613 . 1 1 65 65 GLN HA H 1 4.000 . . 1 . . . . 65 GLN HA . 18920 1 614 . 1 1 65 65 GLN HB2 H 1 1.856 . . 2 . . . . 65 GLN HB2 . 18920 1 615 . 1 1 65 65 GLN HB3 H 1 1.901 . . 2 . . . . 65 GLN HB3 . 18920 1 616 . 1 1 65 65 GLN HG2 H 1 1.778 . . 2 . . . . 65 GLN HG2 . 18920 1 617 . 1 1 65 65 GLN C C 13 175.729 . . 1 . . . . 65 GLN C . 18920 1 618 . 1 1 65 65 GLN CA C 13 55.542 . . 1 . . . . 65 GLN CA . 18920 1 619 . 1 1 65 65 GLN CB C 13 28.783 . . 1 . . . . 65 GLN CB . 18920 1 620 . 1 1 65 65 GLN CG C 13 36.918 . . 1 . . . . 65 GLN CG . 18920 1 621 . 1 1 65 65 GLN N N 15 118.520 . . 1 . . . . 65 GLN N . 18920 1 622 . 1 1 66 66 LYS H H 1 7.805 . . 1 . . . . 66 LYS H . 18920 1 623 . 1 1 66 66 LYS HA H 1 4.117 . . 1 . . . . 66 LYS HA . 18920 1 624 . 1 1 66 66 LYS HB2 H 1 1.680 . . 2 . . . . 66 LYS HB2 . 18920 1 625 . 1 1 66 66 LYS HB3 H 1 1.549 . . 2 . . . . 66 LYS HB3 . 18920 1 626 . 1 1 66 66 LYS HG2 H 1 1.330 . . 2 . . . . 66 LYS HG2 . 18920 1 627 . 1 1 66 66 LYS HD2 H 1 1.743 . . 2 . . . . 66 LYS HD2 . 18920 1 628 . 1 1 66 66 LYS HE2 H 1 2.870 . . 2 . . . . 66 LYS HE2 . 18920 1 629 . 1 1 66 66 LYS C C 13 175.410 . . 1 . . . . 66 LYS C . 18920 1 630 . 1 1 66 66 LYS CA C 13 56.154 . . 1 . . . . 66 LYS CA . 18920 1 631 . 1 1 66 66 LYS CB C 13 32.574 . . 1 . . . . 66 LYS CB . 18920 1 632 . 1 1 66 66 LYS CG C 13 28.835 . . 1 . . . . 66 LYS CG . 18920 1 633 . 1 1 66 66 LYS CD C 13 28.834 . . 1 . . . . 66 LYS CD . 18920 1 634 . 1 1 66 66 LYS CE C 13 45.334 . . 1 . . . . 66 LYS CE . 18920 1 635 . 1 1 66 66 LYS N N 15 121.783 . . 1 . . . . 66 LYS N . 18920 1 636 . 1 1 67 67 LYS H H 1 7.802 . . 1 . . . . 67 LYS H . 18920 1 637 . 1 1 67 67 LYS CA C 13 56.431 . . 1 . . . . 67 LYS CA . 18920 1 638 . 1 1 67 67 LYS CB C 13 28.397 . . 1 . . . . 67 LYS CB . 18920 1 639 . 1 1 67 67 LYS N N 15 128.299 . . 1 . . . . 67 LYS N . 18920 1 stop_ save_