data_6771 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6771 _Entry.Title ; Solution structure of a "retroevolved" lambda Cro monomer reveals the basis for increased monomer stability and reduced dimerization ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-11 _Entry.Accession_date 2005-09-13 _Entry.Last_release_date 2006-06-26 _Entry.Original_release_date 2006-06-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Newlove . . . 6771 2 K. LeFevre . R. . 6771 3 M. Cordes . H. . 6771 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6771 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 227 6771 '15N chemical shifts' 74 6771 '1H chemical shifts' 482 6771 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 . . 2006-06-26 2005-08-11 original author . 6771 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2A63 'BMRB Entry Tracking System' 6771 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6771 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16700549 _Citation.Full_citation . _Citation.Title ; A trade between similar but nonequivalent intrasubunit and intersubunit contacts in cro dimer evolution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 20 _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 6379 _Citation.Page_last 6391 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Newlove . . . 6771 1 2 K. Atkinson . R. . 6771 1 3 L. 'Van Dorn' . O. . 6771 1 4 M. Cordes . H. . 6771 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ball-and-socket 6771 1 helix-turn-helix 6771 1 monomer 6771 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Cro _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Cro _Assembly.Entry_ID 6771 _Assembly.ID 1 _Assembly.Name 'Regulatory protein cro' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6771 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Regulatory protein cro' 1 $Cro . . . native . . . . . 6771 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2A63 . . . . . . 6771 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Regulatory protein cro' abbreviation 6771 1 'Regulatory protein cro' system 6771 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cro _Entity.Sf_category entity _Entity.Sf_framecode Cro _Entity.Entry_ID 6771 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Regulatory protein cro' _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 ; MEQRITLKDYAMRFGQTKTA KDLGVQQSAINKWIHAGRKI FLTINADGSVYAEEVKPDPS NKKTTA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 PDB 2A63 . "Solution Structure Of A Stably Monomeric Mutant Of Lambda Cro Produced By Substitutions In The Ball-And-Socket Interface" . . . . . 100.00 66 100.00 100.00 1.37e-40 . . . . 6771 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Regulatory protein cro' abbreviation 6771 1 'Regulatory protein cro' common 6771 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 . 6771 1 2 . GLU . 6771 1 3 . GLN . 6771 1 4 . ARG . 6771 1 5 . ILE . 6771 1 6 . THR . 6771 1 7 . LEU . 6771 1 8 . LYS . 6771 1 9 . ASP . 6771 1 10 . TYR . 6771 1 11 . ALA . 6771 1 12 . MET . 6771 1 13 . ARG . 6771 1 14 . PHE . 6771 1 15 . GLY . 6771 1 16 . GLN . 6771 1 17 . THR . 6771 1 18 . LYS . 6771 1 19 . THR . 6771 1 20 . ALA . 6771 1 21 . LYS . 6771 1 22 . ASP . 6771 1 23 . LEU . 6771 1 24 . GLY . 6771 1 25 . VAL . 6771 1 26 . GLN . 6771 1 27 . GLN . 6771 1 28 . SER . 6771 1 29 . ALA . 6771 1 30 . ILE . 6771 1 31 . ASN . 6771 1 32 . LYS . 6771 1 33 . TRP . 6771 1 34 . ILE . 6771 1 35 . HIS . 6771 1 36 . ALA . 6771 1 37 . GLY . 6771 1 38 . ARG . 6771 1 39 . LYS . 6771 1 40 . ILE . 6771 1 41 . PHE . 6771 1 42 . LEU . 6771 1 43 . THR . 6771 1 44 . ILE . 6771 1 45 . ASN . 6771 1 46 . ALA . 6771 1 47 . ASP . 6771 1 48 . GLY . 6771 1 49 . SER . 6771 1 50 . VAL . 6771 1 51 . TYR . 6771 1 52 . ALA . 6771 1 53 . GLU . 6771 1 54 . GLU . 6771 1 55 . VAL . 6771 1 56 . LYS . 6771 1 57 . PRO . 6771 1 58 . ASP . 6771 1 59 . PRO . 6771 1 60 . SER . 6771 1 61 . ASN . 6771 1 62 . LYS . 6771 1 63 . LYS . 6771 1 64 . THR . 6771 1 65 . THR . 6771 1 66 . ALA . 6771 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 6771 1 . GLU 2 2 6771 1 . GLN 3 3 6771 1 . ARG 4 4 6771 1 . ILE 5 5 6771 1 . THR 6 6 6771 1 . LEU 7 7 6771 1 . LYS 8 8 6771 1 . ASP 9 9 6771 1 . TYR 10 10 6771 1 . ALA 11 11 6771 1 . MET 12 12 6771 1 . ARG 13 13 6771 1 . PHE 14 14 6771 1 . GLY 15 15 6771 1 . GLN 16 16 6771 1 . THR 17 17 6771 1 . LYS 18 18 6771 1 . THR 19 19 6771 1 . ALA 20 20 6771 1 . LYS 21 21 6771 1 . ASP 22 22 6771 1 . LEU 23 23 6771 1 . GLY 24 24 6771 1 . VAL 25 25 6771 1 . GLN 26 26 6771 1 . GLN 27 27 6771 1 . SER 28 28 6771 1 . ALA 29 29 6771 1 . ILE 30 30 6771 1 . ASN 31 31 6771 1 . LYS 32 32 6771 1 . TRP 33 33 6771 1 . ILE 34 34 6771 1 . HIS 35 35 6771 1 . ALA 36 36 6771 1 . GLY 37 37 6771 1 . ARG 38 38 6771 1 . LYS 39 39 6771 1 . ILE 40 40 6771 1 . PHE 41 41 6771 1 . LEU 42 42 6771 1 . THR 43 43 6771 1 . ILE 44 44 6771 1 . ASN 45 45 6771 1 . ALA 46 46 6771 1 . ASP 47 47 6771 1 . GLY 48 48 6771 1 . SER 49 49 6771 1 . VAL 50 50 6771 1 . TYR 51 51 6771 1 . ALA 52 52 6771 1 . GLU 53 53 6771 1 . GLU 54 54 6771 1 . VAL 55 55 6771 1 . LYS 56 56 6771 1 . PRO 57 57 6771 1 . ASP 58 58 6771 1 . PRO 59 59 6771 1 . SER 60 60 6771 1 . ASN 61 61 6771 1 . LYS 62 62 6771 1 . LYS 63 63 6771 1 . THR 64 64 6771 1 . THR 65 65 6771 1 . ALA 66 66 6771 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 6771 _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 $Cro . 10710 . . 'Lambda-like viruses Bacteriophage lambda' 'Enterobacteria phage lambda' . . Viruses . 'Lambda-like viruses' 'Bacteriophage lambda' . . . . . . . . . . . . . . . . . . . . . 6771 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 6771 _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 $Cro . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6771 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6771 _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 'Regulatory protein cro' [U-13C] . . 1 $Cro . . 2.5 . . mM . . . . 6771 1 2 Na-phosphate . . . . . . . 50 . . mM . . . . 6771 1 3 'sodium azide' . . . . . . . 0.01 . . % . . . . 6771 1 4 TSP . . . . . . . 1 . . mM . . . . 6771 1 5 H2O . . . . . . . 90 . . % . . . . 6771 1 6 D2O . . . . . . . 10 . . % . . . . 6771 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6771 _Sample.ID 2 _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 'Regulatory protein cro' [U-15N] . . 1 $Cro . . 5 . . mM . . . . 6771 2 2 Na-phosphate . . . . . . . 50 . . mM . . . . 6771 2 3 'sodium azide' . . . . . . . 0.01 . . % . . . . 6771 2 4 TSP . . . . . . . 1 . . mM . . . . 6771 2 5 H2O . . . . . . . 90 . . % . . . . 6771 2 6 D2O . . . . . . . 10 . . % . . . . 6771 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6771 _Sample.ID 3 _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 'Regulatory protein cro' . . . 1 $Cro . . 5 . . mM . . . . 6771 3 2 Na-phosphate . . . . . . . 50 . . mM . . . . 6771 3 3 'sodium azide' . . . . . . . 0.01 . . % . . . . 6771 3 4 TSP . . . . . . . 1 . . mM . . . . 6771 3 5 H2O . . . . . . . 90 . . % . . . . 6771 3 6 D2O . . . . . . . 10 . . % . . . . 6771 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6771 _Sample.ID 4 _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 'Regulatory protein cro' [U-15N] . . 1 $Cro . . 5 . . mM . . . . 6771 4 2 Na-phosphate . . . . . . . 50 . . mM . . . . 6771 4 3 'sodium azide' . . . . . . . 0.01 . . % . . . . 6771 4 4 TSP . . . . . . . 1 . . mM . . . . 6771 4 5 D2O . . . . . . . 100 . . % . . . . 6771 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6771 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.3 . pH 6771 1 pressure 1 . atm 6771 1 temperature 293 . K 6771 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 6771 _Sample_condition_list.ID 2 _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 6.1 . pH 6771 2 pressure 1 . atm 6771 2 temperature 293 . K 6771 2 stop_ save_ save_sample_cond_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_3 _Sample_condition_list.Entry_ID 6771 _Sample_condition_list.ID 3 _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 6.1 . pH 6771 3 pressure 1 . atm 6771 3 temperature 298 . K 6771 3 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6771 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.1 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6771 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6771 _Software.ID 2 _Software.Name NMRPipe _Software.Version 1.8 _Software.Details ; Frank Delaglio, Stephan Grzesiek, Ad Bax, Guang Zhu, Geerten Vuister, John Pfeifer. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6771 2 stop_ save_ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 6771 _Software.ID 3 _Software.Name NMRView _Software.Version 4.1.3 _Software.Details 'Bruce Johnston' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6771 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6771 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6771 4 'structure solution' 6771 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6771 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6771 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 6771 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 6771 _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 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6771 1 2 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6771 1 3 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6771 1 4 'HSQC (amide hydrogen exchange)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6771 1 5 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6771 1 6 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6771 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6771 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6771 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6771 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6771 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'HSQC (amide hydrogen exchange)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6771 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6771 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6771 _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 . . . . . . ppm . . . . . . . . . . . . . 6771 1 H 1 . . . . . . ppm . . . . . . . . . . . . . 6771 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 6771 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6771 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6771 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.271 0.03 . 1 . . . . . . . . 6771 1 2 . 1 1 1 1 MET HB2 H 1 2.309 0.03 . 1 . . . . . . . . 6771 1 3 . 1 1 1 1 MET HB3 H 1 2.309 0.03 . 1 . . . . . . . . 6771 1 4 . 1 1 1 1 MET HG2 H 1 2.751 0.03 . 1 . . . . . . . . 6771 1 5 . 1 1 1 1 MET HG3 H 1 2.751 0.03 . 1 . . . . . . . . 6771 1 6 . 1 1 1 1 MET HE1 H 1 2.247 0.03 . 1 . . . . . . . . 6771 1 7 . 1 1 1 1 MET HE2 H 1 2.247 0.03 . 1 . . . . . . . . 6771 1 8 . 1 1 1 1 MET HE3 H 1 2.247 0.03 . 1 . . . . . . . . 6771 1 9 . 1 1 1 1 MET CA C 13 55.281 0.20 . 1 . . . . . . . . 6771 1 10 . 1 1 1 1 MET CB C 13 33.080 0.20 . 1 . . . . . . . . 6771 1 11 . 1 1 1 1 MET CG C 13 30.761 0.20 . 1 . . . . . . . . 6771 1 12 . 1 1 1 1 MET CE C 13 17.038 0.20 . 1 . . . . . . . . 6771 1 13 . 1 1 2 2 GLU H H 1 9.051 0.03 . 1 . . . . . . . . 6771 1 14 . 1 1 2 2 GLU HA H 1 4.611 0.03 . 1 . . . . . . . . 6771 1 15 . 1 1 2 2 GLU HB2 H 1 2.222 0.03 . 2 . . . . . . . . 6771 1 16 . 1 1 2 2 GLU HB3 H 1 2.099 0.03 . 2 . . . . . . . . 6771 1 17 . 1 1 2 2 GLU HG2 H 1 2.425 0.03 . 1 . . . . . . . . 6771 1 18 . 1 1 2 2 GLU HG3 H 1 2.425 0.03 . 1 . . . . . . . . 6771 1 19 . 1 1 2 2 GLU CA C 13 56.639 0.20 . 1 . . . . . . . . 6771 1 20 . 1 1 2 2 GLU CB C 13 30.830 0.20 . 1 . . . . . . . . 6771 1 21 . 1 1 2 2 GLU CG C 13 36.364 0.20 . 1 . . . . . . . . 6771 1 22 . 1 1 2 2 GLU N N 15 124.647 0.20 . 1 . . . . . . . . 6771 1 23 . 1 1 3 3 GLN H H 1 8.760 0.03 . 1 . . . . . . . . 6771 1 24 . 1 1 3 3 GLN HA H 1 4.631 0.03 . 1 . . . . . . . . 6771 1 25 . 1 1 3 3 GLN HB2 H 1 2.149 0.03 . 2 . . . . . . . . 6771 1 26 . 1 1 3 3 GLN HB3 H 1 2.310 0.03 . 2 . . . . . . . . 6771 1 27 . 1 1 3 3 GLN HG2 H 1 2.558 0.03 . 2 . . . . . . . . 6771 1 28 . 1 1 3 3 GLN HG3 H 1 2.501 0.03 . 2 . . . . . . . . 6771 1 29 . 1 1 3 3 GLN HE21 H 1 7.721 0.03 . 2 . . . . . . . . 6771 1 30 . 1 1 3 3 GLN HE22 H 1 7.048 0.03 . 2 . . . . . . . . 6771 1 31 . 1 1 3 3 GLN CA C 13 55.850 0.20 . 1 . . . . . . . . 6771 1 32 . 1 1 3 3 GLN CB C 13 30.779 0.20 . 1 . . . . . . . . 6771 1 33 . 1 1 3 3 GLN CG C 13 34.203 0.20 . 1 . . . . . . . . 6771 1 34 . 1 1 3 3 GLN N N 15 122.352 0.20 . 1 . . . . . . . . 6771 1 35 . 1 1 3 3 GLN NE2 N 15 112.355 0.20 . 1 . . . . . . . . 6771 1 36 . 1 1 4 4 ARG H H 1 8.527 0.03 . 1 . . . . . . . . 6771 1 37 . 1 1 4 4 ARG HA H 1 5.061 0.03 . 1 . . . . . . . . 6771 1 38 . 1 1 4 4 ARG HB2 H 1 1.870 0.03 . 2 . . . . . . . . 6771 1 39 . 1 1 4 4 ARG HB3 H 1 1.800 0.03 . 2 . . . . . . . . 6771 1 40 . 1 1 4 4 ARG HG2 H 1 1.658 0.03 . 1 . . . . . . . . 6771 1 41 . 1 1 4 4 ARG HG3 H 1 1.658 0.03 . 1 . . . . . . . . 6771 1 42 . 1 1 4 4 ARG HD2 H 1 2.991 0.03 . 1 . . . . . . . . 6771 1 43 . 1 1 4 4 ARG HD3 H 1 2.991 0.03 . 1 . . . . . . . . 6771 1 44 . 1 1 4 4 ARG HE H 1 7.188 0.03 . 1 . . . . . . . . 6771 1 45 . 1 1 4 4 ARG CA C 13 55.957 0.20 . 1 . . . . . . . . 6771 1 46 . 1 1 4 4 ARG CB C 13 31.874 0.20 . 1 . . . . . . . . 6771 1 47 . 1 1 4 4 ARG CG C 13 27.413 0.20 . 1 . . . . . . . . 6771 1 48 . 1 1 4 4 ARG CD C 13 43.685 0.20 . 1 . . . . . . . . 6771 1 49 . 1 1 4 4 ARG N N 15 122.843 0.20 . 1 . . . . . . . . 6771 1 50 . 1 1 4 4 ARG NE N 15 84.542 0.20 . 1 . . . . . . . . 6771 1 51 . 1 1 5 5 ILE H H 1 9.415 0.03 . 1 . . . . . . . . 6771 1 52 . 1 1 5 5 ILE HA H 1 4.901 0.03 . 1 . . . . . . . . 6771 1 53 . 1 1 5 5 ILE HB H 1 2.151 0.03 . 1 . . . . . . . . 6771 1 54 . 1 1 5 5 ILE HG12 H 1 1.529 0.03 . 2 . . . . . . . . 6771 1 55 . 1 1 5 5 ILE HG13 H 1 1.984 0.03 . 2 . . . . . . . . 6771 1 56 . 1 1 5 5 ILE HG21 H 1 1.380 0.03 . 1 . . . . . . . . 6771 1 57 . 1 1 5 5 ILE HG22 H 1 1.380 0.03 . 1 . . . . . . . . 6771 1 58 . 1 1 5 5 ILE HG23 H 1 1.380 0.03 . 1 . . . . . . . . 6771 1 59 . 1 1 5 5 ILE HD11 H 1 1.156 0.03 . 1 . . . . . . . . 6771 1 60 . 1 1 5 5 ILE HD12 H 1 1.156 0.03 . 1 . . . . . . . . 6771 1 61 . 1 1 5 5 ILE HD13 H 1 1.156 0.03 . 1 . . . . . . . . 6771 1 62 . 1 1 5 5 ILE CA C 13 60.081 0.20 . 1 . . . . . . . . 6771 1 63 . 1 1 5 5 ILE CB C 13 41.767 0.20 . 1 . . . . . . . . 6771 1 64 . 1 1 5 5 ILE CG1 C 13 27.797 0.20 . 2 . . . . . . . . 6771 1 65 . 1 1 5 5 ILE CG2 C 13 17.853 0.20 . 1 . . . . . . . . 6771 1 66 . 1 1 5 5 ILE CD1 C 13 14.194 0.20 . 1 . . . . . . . . 6771 1 67 . 1 1 5 5 ILE N N 15 124.482 0.20 . 1 . . . . . . . . 6771 1 68 . 1 1 6 6 THR H H 1 9.362 0.03 . 1 . . . . . . . . 6771 1 69 . 1 1 6 6 THR HA H 1 4.352 0.03 . 1 . . . . . . . . 6771 1 70 . 1 1 6 6 THR HB H 1 4.686 0.03 . 1 . . . . . . . . 6771 1 71 . 1 1 6 6 THR HG21 H 1 1.410 0.03 . 1 . . . . . . . . 6771 1 72 . 1 1 6 6 THR HG22 H 1 1.410 0.03 . 1 . . . . . . . . 6771 1 73 . 1 1 6 6 THR HG23 H 1 1.410 0.03 . 1 . . . . . . . . 6771 1 74 . 1 1 6 6 THR CA C 13 62.407 0.20 . 1 . . . . . . . . 6771 1 75 . 1 1 6 6 THR CB C 13 70.672 0.20 . 1 . . . . . . . . 6771 1 76 . 1 1 6 6 THR CG2 C 13 22.801 0.20 . 1 . . . . . . . . 6771 1 77 . 1 1 6 6 THR N N 15 118.152 0.20 . 1 . . . . . . . . 6771 1 78 . 1 1 7 7 LEU H H 1 8.085 0.03 . 1 . . . . . . . . 6771 1 79 . 1 1 7 7 LEU HA H 1 4.085 0.03 . 1 . . . . . . . . 6771 1 80 . 1 1 7 7 LEU HB2 H 1 1.378 0.03 . 2 . . . . . . . . 6771 1 81 . 1 1 7 7 LEU HB3 H 1 2.052 0.03 . 2 . . . . . . . . 6771 1 82 . 1 1 7 7 LEU HG H 1 1.720 0.03 . 1 . . . . . . . . 6771 1 83 . 1 1 7 7 LEU HD11 H 1 1.100 0.03 . 2 . . . . . . . . 6771 1 84 . 1 1 7 7 LEU HD12 H 1 1.100 0.03 . 2 . . . . . . . . 6771 1 85 . 1 1 7 7 LEU HD13 H 1 1.100 0.03 . 2 . . . . . . . . 6771 1 86 . 1 1 7 7 LEU HD21 H 1 1.283 0.03 . 2 . . . . . . . . 6771 1 87 . 1 1 7 7 LEU HD22 H 1 1.283 0.03 . 2 . . . . . . . . 6771 1 88 . 1 1 7 7 LEU HD23 H 1 1.283 0.03 . 2 . . . . . . . . 6771 1 89 . 1 1 7 7 LEU CA C 13 58.627 0.20 . 1 . . . . . . . . 6771 1 90 . 1 1 7 7 LEU CB C 13 41.648 0.20 . 1 . . . . . . . . 6771 1 91 . 1 1 7 7 LEU CG C 13 27.373 0.20 . 1 . . . . . . . . 6771 1 92 . 1 1 7 7 LEU CD1 C 13 24.711 0.20 . 2 . . . . . . . . 6771 1 93 . 1 1 7 7 LEU CD2 C 13 27.933 0.20 . 2 . . . . . . . . 6771 1 94 . 1 1 7 7 LEU N N 15 121.838 0.20 . 1 . . . . . . . . 6771 1 95 . 1 1 8 8 LYS H H 1 8.696 0.03 . 1 . . . . . . . . 6771 1 96 . 1 1 8 8 LYS HA H 1 3.994 0.03 . 1 . . . . . . . . 6771 1 97 . 1 1 8 8 LYS HB2 H 1 1.866 0.03 . 2 . . . . . . . . 6771 1 98 . 1 1 8 8 LYS HB3 H 1 2.031 0.03 . 2 . . . . . . . . 6771 1 99 . 1 1 8 8 LYS HG2 H 1 1.579 0.03 . 2 . . . . . . . . 6771 1 100 . 1 1 8 8 LYS HG3 H 1 1.516 0.03 . 2 . . . . . . . . 6771 1 101 . 1 1 8 8 LYS HD2 H 1 1.796 0.03 . 1 . . . . . . . . 6771 1 102 . 1 1 8 8 LYS HD3 H 1 1.796 0.03 . 1 . . . . . . . . 6771 1 103 . 1 1 8 8 LYS HE2 H 1 3.137 0.03 . 1 . . . . . . . . 6771 1 104 . 1 1 8 8 LYS HE3 H 1 3.137 0.03 . 1 . . . . . . . . 6771 1 105 . 1 1 8 8 LYS CA C 13 60.282 0.20 . 1 . . . . . . . . 6771 1 106 . 1 1 8 8 LYS CB C 13 32.982 0.20 . 1 . . . . . . . . 6771 1 107 . 1 1 8 8 LYS CG C 13 25.080 0.20 . 1 . . . . . . . . 6771 1 108 . 1 1 8 8 LYS CD C 13 29.696 0.20 . 1 . . . . . . . . 6771 1 109 . 1 1 8 8 LYS CE C 13 42.327 0.20 . 1 . . . . . . . . 6771 1 110 . 1 1 8 8 LYS N N 15 116.690 0.20 . 1 . . . . . . . . 6771 1 111 . 1 1 9 9 ASP H H 1 8.117 0.03 . 1 . . . . . . . . 6771 1 112 . 1 1 9 9 ASP HA H 1 4.545 0.03 . 1 . . . . . . . . 6771 1 113 . 1 1 9 9 ASP HB2 H 1 2.717 0.03 . 2 . . . . . . . . 6771 1 114 . 1 1 9 9 ASP HB3 H 1 3.036 0.03 . 2 . . . . . . . . 6771 1 115 . 1 1 9 9 ASP CA C 13 57.481 0.20 . 1 . . . . . . . . 6771 1 116 . 1 1 9 9 ASP CB C 13 40.020 0.20 . 1 . . . . . . . . 6771 1 117 . 1 1 9 9 ASP N N 15 119.906 0.20 . 1 . . . . . . . . 6771 1 118 . 1 1 10 10 TYR H H 1 9.156 0.03 . 1 . . . . . . . . 6771 1 119 . 1 1 10 10 TYR HA H 1 4.031 0.03 . 1 . . . . . . . . 6771 1 120 . 1 1 10 10 TYR HB2 H 1 3.362 0.03 . 2 . . . . . . . . 6771 1 121 . 1 1 10 10 TYR HB3 H 1 3.119 0.03 . 2 . . . . . . . . 6771 1 122 . 1 1 10 10 TYR HD1 H 1 7.381 0.03 . 1 . . . . . . . . 6771 1 123 . 1 1 10 10 TYR HD2 H 1 7.381 0.03 . 1 . . . . . . . . 6771 1 124 . 1 1 10 10 TYR HE1 H 1 6.647 0.03 . 1 . . . . . . . . 6771 1 125 . 1 1 10 10 TYR HE2 H 1 6.647 0.03 . 1 . . . . . . . . 6771 1 126 . 1 1 10 10 TYR CA C 13 62.860 0.20 . 1 . . . . . . . . 6771 1 127 . 1 1 10 10 TYR CB C 13 40.027 0.20 . 1 . . . . . . . . 6771 1 128 . 1 1 10 10 TYR CD1 C 13 134.119 0.20 . 1 . . . . . . . . 6771 1 129 . 1 1 10 10 TYR CD2 C 13 134.119 0.20 . 1 . . . . . . . . 6771 1 130 . 1 1 10 10 TYR CE1 C 13 118.059 0.20 . 1 . . . . . . . . 6771 1 131 . 1 1 10 10 TYR CE2 C 13 118.059 0.20 . 1 . . . . . . . . 6771 1 132 . 1 1 10 10 TYR N N 15 124.863 0.20 . 1 . . . . . . . . 6771 1 133 . 1 1 11 11 ALA H H 1 9.032 0.03 . 1 . . . . . . . . 6771 1 134 . 1 1 11 11 ALA HA H 1 4.268 0.03 . 1 . . . . . . . . 6771 1 135 . 1 1 11 11 ALA HB1 H 1 1.515 0.03 . 1 . . . . . . . . 6771 1 136 . 1 1 11 11 ALA HB2 H 1 1.515 0.03 . 1 . . . . . . . . 6771 1 137 . 1 1 11 11 ALA HB3 H 1 1.515 0.03 . 1 . . . . . . . . 6771 1 138 . 1 1 11 11 ALA CA C 13 54.626 0.20 . 1 . . . . . . . . 6771 1 139 . 1 1 11 11 ALA CB C 13 18.096 0.20 . 1 . . . . . . . . 6771 1 140 . 1 1 11 11 ALA N N 15 119.808 0.20 . 1 . . . . . . . . 6771 1 141 . 1 1 12 12 MET H H 1 8.193 0.03 . 1 . . . . . . . . 6771 1 142 . 1 1 12 12 MET HA H 1 4.319 0.03 . 1 . . . . . . . . 6771 1 143 . 1 1 12 12 MET HB2 H 1 2.290 0.03 . 2 . . . . . . . . 6771 1 144 . 1 1 12 12 MET HB3 H 1 2.384 0.03 . 2 . . . . . . . . 6771 1 145 . 1 1 12 12 MET HG2 H 1 2.846 0.03 . 2 . . . . . . . . 6771 1 146 . 1 1 12 12 MET HG3 H 1 2.723 0.03 . 2 . . . . . . . . 6771 1 147 . 1 1 12 12 MET HE1 H 1 2.211 0.03 . 1 . . . . . . . . 6771 1 148 . 1 1 12 12 MET HE2 H 1 2.211 0.03 . 1 . . . . . . . . 6771 1 149 . 1 1 12 12 MET HE3 H 1 2.211 0.03 . 1 . . . . . . . . 6771 1 150 . 1 1 12 12 MET CA C 13 58.419 0.20 . 1 . . . . . . . . 6771 1 151 . 1 1 12 12 MET CB C 13 32.494 0.20 . 1 . . . . . . . . 6771 1 152 . 1 1 12 12 MET CG C 13 32.114 0.20 . 1 . . . . . . . . 6771 1 153 . 1 1 12 12 MET CE C 13 16.835 0.20 . 1 . . . . . . . . 6771 1 154 . 1 1 12 12 MET N N 15 119.192 0.20 . 1 . . . . . . . . 6771 1 155 . 1 1 13 13 ARG H H 1 7.843 0.03 . 1 . . . . . . . . 6771 1 156 . 1 1 13 13 ARG HA H 1 3.965 0.03 . 1 . . . . . . . . 6771 1 157 . 1 1 13 13 ARG HB2 H 1 1.157 0.03 . 2 . . . . . . . . 6771 1 158 . 1 1 13 13 ARG HB3 H 1 1.510 0.03 . 2 . . . . . . . . 6771 1 159 . 1 1 13 13 ARG HG2 H 1 1.232 0.03 . 2 . . . . . . . . 6771 1 160 . 1 1 13 13 ARG HG3 H 1 0.602 0.03 . 2 . . . . . . . . 6771 1 161 . 1 1 13 13 ARG HD2 H 1 2.727 0.03 . 2 . . . . . . . . 6771 1 162 . 1 1 13 13 ARG HD3 H 1 2.841 0.03 . 2 . . . . . . . . 6771 1 163 . 1 1 13 13 ARG HE H 1 7.053 0.03 . 1 . . . . . . . . 6771 1 164 . 1 1 13 13 ARG CA C 13 58.697 0.20 . 1 . . . . . . . . 6771 1 165 . 1 1 13 13 ARG CB C 13 30.838 0.20 . 1 . . . . . . . . 6771 1 166 . 1 1 13 13 ARG CG C 13 26.204 0.20 . 1 . . . . . . . . 6771 1 167 . 1 1 13 13 ARG CD C 13 43.735 0.20 . 1 . . . . . . . . 6771 1 168 . 1 1 13 13 ARG N N 15 119.048 0.20 . 1 . . . . . . . . 6771 1 169 . 1 1 13 13 ARG NE N 15 84.831 0.20 . 1 . . . . . . . . 6771 1 170 . 1 1 14 14 PHE H H 1 8.565 0.03 . 1 . . . . . . . . 6771 1 171 . 1 1 14 14 PHE HA H 1 4.784 0.03 . 1 . . . . . . . . 6771 1 172 . 1 1 14 14 PHE HB2 H 1 3.101 0.03 . 2 . . . . . . . . 6771 1 173 . 1 1 14 14 PHE HB3 H 1 2.563 0.03 . 2 . . . . . . . . 6771 1 174 . 1 1 14 14 PHE HD1 H 1 6.620 0.03 . 1 . . . . . . . . 6771 1 175 . 1 1 14 14 PHE HD2 H 1 6.620 0.03 . 1 . . . . . . . . 6771 1 176 . 1 1 14 14 PHE HE1 H 1 7.077 0.03 . 1 . . . . . . . . 6771 1 177 . 1 1 14 14 PHE HE2 H 1 7.077 0.03 . 1 . . . . . . . . 6771 1 178 . 1 1 14 14 PHE HZ H 1 7.221 0.03 . 1 . . . . . . . . 6771 1 179 . 1 1 14 14 PHE CA C 13 58.810 0.20 . 1 . . . . . . . . 6771 1 180 . 1 1 14 14 PHE CB C 13 40.049 0.20 . 1 . . . . . . . . 6771 1 181 . 1 1 14 14 PHE CD1 C 13 131.069 0.20 . 1 . . . . . . . . 6771 1 182 . 1 1 14 14 PHE CD2 C 13 131.069 0.20 . 1 . . . . . . . . 6771 1 183 . 1 1 14 14 PHE CZ C 13 129.418 0.20 . 1 . . . . . . . . 6771 1 184 . 1 1 14 14 PHE N N 15 113.880 0.20 . 1 . . . . . . . . 6771 1 185 . 1 1 15 15 GLY H H 1 8.080 0.03 . 1 . . . . . . . . 6771 1 186 . 1 1 15 15 GLY HA2 H 1 4.202 0.03 . 2 . . . . . . . . 6771 1 187 . 1 1 15 15 GLY HA3 H 1 4.766 0.03 . 2 . . . . . . . . 6771 1 188 . 1 1 15 15 GLY CA C 13 44.731 0.20 . 1 . . . . . . . . 6771 1 189 . 1 1 15 15 GLY N N 15 110.346 0.20 . 1 . . . . . . . . 6771 1 190 . 1 1 16 16 GLN H H 1 9.490 0.03 . 1 . . . . . . . . 6771 1 191 . 1 1 16 16 GLN HA H 1 3.929 0.03 . 1 . . . . . . . . 6771 1 192 . 1 1 16 16 GLN HB2 H 1 2.193 0.03 . 2 . . . . . . . . 6771 1 193 . 1 1 16 16 GLN HB3 H 1 2.273 0.03 . 2 . . . . . . . . 6771 1 194 . 1 1 16 16 GLN HG2 H 1 2.280 0.03 . 2 . . . . . . . . 6771 1 195 . 1 1 16 16 GLN HG3 H 1 2.782 0.03 . 2 . . . . . . . . 6771 1 196 . 1 1 16 16 GLN HE21 H 1 7.665 0.03 . 2 . . . . . . . . 6771 1 197 . 1 1 16 16 GLN HE22 H 1 7.108 0.03 . 2 . . . . . . . . 6771 1 198 . 1 1 16 16 GLN CA C 13 61.122 0.20 . 1 . . . . . . . . 6771 1 199 . 1 1 16 16 GLN CB C 13 28.706 0.20 . 1 . . . . . . . . 6771 1 200 . 1 1 16 16 GLN CG C 13 35.115 0.20 . 1 . . . . . . . . 6771 1 201 . 1 1 16 16 GLN N N 15 123.229 0.20 . 1 . . . . . . . . 6771 1 202 . 1 1 16 16 GLN NE2 N 15 109.627 0.20 . 1 . . . . . . . . 6771 1 203 . 1 1 17 17 THR H H 1 8.585 0.03 . 1 . . . . . . . . 6771 1 204 . 1 1 17 17 THR HA H 1 4.014 0.03 . 1 . . . . . . . . 6771 1 205 . 1 1 17 17 THR HB H 1 4.232 0.03 . 1 . . . . . . . . 6771 1 206 . 1 1 17 17 THR HG21 H 1 1.370 0.03 . 1 . . . . . . . . 6771 1 207 . 1 1 17 17 THR HG22 H 1 1.370 0.03 . 1 . . . . . . . . 6771 1 208 . 1 1 17 17 THR HG23 H 1 1.370 0.03 . 1 . . . . . . . . 6771 1 209 . 1 1 17 17 THR CA C 13 67.531 0.20 . 1 . . . . . . . . 6771 1 210 . 1 1 17 17 THR CB C 13 68.273 0.20 . 1 . . . . . . . . 6771 1 211 . 1 1 17 17 THR CG2 C 13 22.045 0.20 . 1 . . . . . . . . 6771 1 212 . 1 1 17 17 THR N N 15 117.608 0.20 . 1 . . . . . . . . 6771 1 213 . 1 1 18 18 LYS H H 1 9.093 0.03 . 1 . . . . . . . . 6771 1 214 . 1 1 18 18 LYS HA H 1 4.180 0.03 . 1 . . . . . . . . 6771 1 215 . 1 1 18 18 LYS HB2 H 1 1.997 0.03 . 2 . . . . . . . . 6771 1 216 . 1 1 18 18 LYS HB3 H 1 1.891 0.03 . 2 . . . . . . . . 6771 1 217 . 1 1 18 18 LYS HG2 H 1 1.336 0.03 . 1 . . . . . . . . 6771 1 218 . 1 1 18 18 LYS HG3 H 1 1.336 0.03 . 1 . . . . . . . . 6771 1 219 . 1 1 18 18 LYS HD2 H 1 1.693 0.03 . 2 . . . . . . . . 6771 1 220 . 1 1 18 18 LYS HD3 H 1 1.928 0.03 . 2 . . . . . . . . 6771 1 221 . 1 1 18 18 LYS HE2 H 1 2.347 0.03 . 2 . . . . . . . . 6771 1 222 . 1 1 18 18 LYS HE3 H 1 2.911 0.03 . 2 . . . . . . . . 6771 1 223 . 1 1 18 18 LYS CA C 13 59.178 0.20 . 1 . . . . . . . . 6771 1 224 . 1 1 18 18 LYS CB C 13 33.152 0.20 . 1 . . . . . . . . 6771 1 225 . 1 1 18 18 LYS CG C 13 25.178 0.20 . 1 . . . . . . . . 6771 1 226 . 1 1 18 18 LYS CD C 13 29.020 0.20 . 1 . . . . . . . . 6771 1 227 . 1 1 18 18 LYS CE C 13 42.497 0.20 . 1 . . . . . . . . 6771 1 228 . 1 1 18 18 LYS N N 15 124.160 0.20 . 1 . . . . . . . . 6771 1 229 . 1 1 19 19 THR H H 1 7.658 0.03 . 1 . . . . . . . . 6771 1 230 . 1 1 19 19 THR HA H 1 3.985 0.03 . 1 . . . . . . . . 6771 1 231 . 1 1 19 19 THR HB H 1 4.306 0.03 . 1 . . . . . . . . 6771 1 232 . 1 1 19 19 THR HG21 H 1 1.294 0.03 . 1 . . . . . . . . 6771 1 233 . 1 1 19 19 THR HG22 H 1 1.294 0.03 . 1 . . . . . . . . 6771 1 234 . 1 1 19 19 THR HG23 H 1 1.294 0.03 . 1 . . . . . . . . 6771 1 235 . 1 1 19 19 THR CA C 13 69.114 0.20 . 1 . . . . . . . . 6771 1 236 . 1 1 19 19 THR CB C 13 68.236 0.20 . 1 . . . . . . . . 6771 1 237 . 1 1 19 19 THR CG2 C 13 22.121 0.20 . 1 . . . . . . . . 6771 1 238 . 1 1 19 19 THR N N 15 114.038 0.20 . 1 . . . . . . . . 6771 1 239 . 1 1 20 20 ALA H H 1 8.165 0.03 . 1 . . . . . . . . 6771 1 240 . 1 1 20 20 ALA HA H 1 3.834 0.03 . 1 . . . . . . . . 6771 1 241 . 1 1 20 20 ALA HB1 H 1 1.580 0.03 . 1 . . . . . . . . 6771 1 242 . 1 1 20 20 ALA HB2 H 1 1.580 0.03 . 1 . . . . . . . . 6771 1 243 . 1 1 20 20 ALA HB3 H 1 1.580 0.03 . 1 . . . . . . . . 6771 1 244 . 1 1 20 20 ALA CA C 13 55.618 0.20 . 1 . . . . . . . . 6771 1 245 . 1 1 20 20 ALA CB C 13 17.656 0.20 . 1 . . . . . . . . 6771 1 246 . 1 1 20 20 ALA N N 15 121.674 0.20 . 1 . . . . . . . . 6771 1 247 . 1 1 21 21 LYS H H 1 7.858 0.03 . 1 . . . . . . . . 6771 1 248 . 1 1 21 21 LYS HA H 1 4.214 0.03 . 1 . . . . . . . . 6771 1 249 . 1 1 21 21 LYS HB2 H 1 2.140 0.03 . 2 . . . . . . . . 6771 1 250 . 1 1 21 21 LYS HB3 H 1 2.090 0.03 . 2 . . . . . . . . 6771 1 251 . 1 1 21 21 LYS HG2 H 1 1.680 0.03 . 2 . . . . . . . . 6771 1 252 . 1 1 21 21 LYS HG3 H 1 1.620 0.03 . 2 . . . . . . . . 6771 1 253 . 1 1 21 21 LYS HD2 H 1 1.820 0.03 . 1 . . . . . . . . 6771 1 254 . 1 1 21 21 LYS HD3 H 1 1.820 0.03 . 1 . . . . . . . . 6771 1 255 . 1 1 21 21 LYS HE2 H 1 3.125 0.03 . 1 . . . . . . . . 6771 1 256 . 1 1 21 21 LYS HE3 H 1 3.125 0.03 . 1 . . . . . . . . 6771 1 257 . 1 1 21 21 LYS CA C 13 59.358 0.20 . 1 . . . . . . . . 6771 1 258 . 1 1 21 21 LYS CB C 13 32.303 0.20 . 1 . . . . . . . . 6771 1 259 . 1 1 21 21 LYS CG C 13 25.173 0.20 . 1 . . . . . . . . 6771 1 260 . 1 1 21 21 LYS CD C 13 29.280 0.20 . 1 . . . . . . . . 6771 1 261 . 1 1 21 21 LYS CE C 13 42.284 0.20 . 1 . . . . . . . . 6771 1 262 . 1 1 21 21 LYS N N 15 118.831 0.20 . 1 . . . . . . . . 6771 1 263 . 1 1 22 22 ASP H H 1 9.195 0.03 . 1 . . . . . . . . 6771 1 264 . 1 1 22 22 ASP HA H 1 4.444 0.03 . 1 . . . . . . . . 6771 1 265 . 1 1 22 22 ASP HB2 H 1 2.501 0.03 . 1 . . . . . . . . 6771 1 266 . 1 1 22 22 ASP HB3 H 1 2.910 0.03 . 1 . . . . . . . . 6771 1 267 . 1 1 22 22 ASP CA C 13 57.358 0.20 . 1 . . . . . . . . 6771 1 268 . 1 1 22 22 ASP CB C 13 39.806 0.20 . 1 . . . . . . . . 6771 1 269 . 1 1 22 22 ASP N N 15 121.249 0.20 . 1 . . . . . . . . 6771 1 270 . 1 1 23 23 LEU H H 1 7.840 0.03 . 1 . . . . . . . . 6771 1 271 . 1 1 23 23 LEU HA H 1 4.509 0.03 . 1 . . . . . . . . 6771 1 272 . 1 1 23 23 LEU HB2 H 1 1.828 0.03 . 1 . . . . . . . . 6771 1 273 . 1 1 23 23 LEU HB3 H 1 1.828 0.03 . 1 . . . . . . . . 6771 1 274 . 1 1 23 23 LEU HG H 1 1.796 0.03 . 1 . . . . . . . . 6771 1 275 . 1 1 23 23 LEU HD11 H 1 0.841 0.03 . 2 . . . . . . . . 6771 1 276 . 1 1 23 23 LEU HD12 H 1 0.841 0.03 . 2 . . . . . . . . 6771 1 277 . 1 1 23 23 LEU HD13 H 1 0.841 0.03 . 2 . . . . . . . . 6771 1 278 . 1 1 23 23 LEU HD21 H 1 0.891 0.03 . 2 . . . . . . . . 6771 1 279 . 1 1 23 23 LEU HD22 H 1 0.891 0.03 . 2 . . . . . . . . 6771 1 280 . 1 1 23 23 LEU HD23 H 1 0.891 0.03 . 2 . . . . . . . . 6771 1 281 . 1 1 23 23 LEU CA C 13 54.870 0.20 . 1 . . . . . . . . 6771 1 282 . 1 1 23 23 LEU CB C 13 43.343 0.20 . 1 . . . . . . . . 6771 1 283 . 1 1 23 23 LEU CG C 13 27.617 0.20 . 1 . . . . . . . . 6771 1 284 . 1 1 23 23 LEU CD1 C 13 23.481 0.20 . 2 . . . . . . . . 6771 1 285 . 1 1 23 23 LEU CD2 C 13 25.490 0.20 . 2 . . . . . . . . 6771 1 286 . 1 1 23 23 LEU N N 15 117.017 0.20 . 1 . . . . . . . . 6771 1 287 . 1 1 24 24 GLY H H 1 8.188 0.03 . 1 . . . . . . . . 6771 1 288 . 1 1 24 24 GLY HA2 H 1 4.069 0.03 . 2 . . . . . . . . 6771 1 289 . 1 1 24 24 GLY HA3 H 1 4.110 0.03 . 2 . . . . . . . . 6771 1 290 . 1 1 24 24 GLY CA C 13 46.352 0.20 . 1 . . . . . . . . 6771 1 291 . 1 1 24 24 GLY N N 15 110.809 0.20 . 1 . . . . . . . . 6771 1 292 . 1 1 25 25 VAL H H 1 8.112 0.03 . 1 . . . . . . . . 6771 1 293 . 1 1 25 25 VAL HA H 1 4.883 0.03 . 1 . . . . . . . . 6771 1 294 . 1 1 25 25 VAL HB H 1 2.309 0.03 . 1 . . . . . . . . 6771 1 295 . 1 1 25 25 VAL HG11 H 1 0.762 0.03 . 2 . . . . . . . . 6771 1 296 . 1 1 25 25 VAL HG12 H 1 0.762 0.03 . 2 . . . . . . . . 6771 1 297 . 1 1 25 25 VAL HG13 H 1 0.762 0.03 . 2 . . . . . . . . 6771 1 298 . 1 1 25 25 VAL HG21 H 1 1.080 0.03 . 2 . . . . . . . . 6771 1 299 . 1 1 25 25 VAL HG22 H 1 1.080 0.03 . 2 . . . . . . . . 6771 1 300 . 1 1 25 25 VAL HG23 H 1 1.080 0.03 . 2 . . . . . . . . 6771 1 301 . 1 1 25 25 VAL CA C 13 58.718 0.20 . 1 . . . . . . . . 6771 1 302 . 1 1 25 25 VAL CB C 13 35.411 0.20 . 1 . . . . . . . . 6771 1 303 . 1 1 25 25 VAL CG1 C 13 18.765 0.20 . 2 . . . . . . . . 6771 1 304 . 1 1 25 25 VAL CG2 C 13 21.625 0.20 . 2 . . . . . . . . 6771 1 305 . 1 1 25 25 VAL N N 15 111.869 0.20 . 1 . . . . . . . . 6771 1 306 . 1 1 26 26 GLN H H 1 8.344 0.03 . 1 . . . . . . . . 6771 1 307 . 1 1 26 26 GLN HA H 1 4.447 0.03 . 1 . . . . . . . . 6771 1 308 . 1 1 26 26 GLN HB2 H 1 2.406 0.03 . 2 . . . . . . . . 6771 1 309 . 1 1 26 26 GLN HB3 H 1 1.967 0.03 . 2 . . . . . . . . 6771 1 310 . 1 1 26 26 GLN HG2 H 1 2.577 0.03 . 1 . . . . . . . . 6771 1 311 . 1 1 26 26 GLN HG3 H 1 2.577 0.03 . 1 . . . . . . . . 6771 1 312 . 1 1 26 26 GLN HE21 H 1 7.755 0.03 . 2 . . . . . . . . 6771 1 313 . 1 1 26 26 GLN HE22 H 1 7.059 0.03 . 2 . . . . . . . . 6771 1 314 . 1 1 26 26 GLN CA C 13 55.602 0.20 . 1 . . . . . . . . 6771 1 315 . 1 1 26 26 GLN CB C 13 29.701 0.20 . 1 . . . . . . . . 6771 1 316 . 1 1 26 26 GLN CG C 13 34.249 0.20 . 1 . . . . . . . . 6771 1 317 . 1 1 26 26 GLN N N 15 117.624 0.20 . 1 . . . . . . . . 6771 1 318 . 1 1 26 26 GLN NE2 N 15 113.650 0.20 . 1 . . . . . . . . 6771 1 319 . 1 1 27 27 GLN H H 1 9.285 0.03 . 1 . . . . . . . . 6771 1 320 . 1 1 27 27 GLN HA H 1 3.767 0.03 . 1 . . . . . . . . 6771 1 321 . 1 1 27 27 GLN HB2 H 1 2.171 0.03 . 1 . . . . . . . . 6771 1 322 . 1 1 27 27 GLN HB3 H 1 2.171 0.03 . 1 . . . . . . . . 6771 1 323 . 1 1 27 27 GLN HG2 H 1 2.412 0.03 . 1 . . . . . . . . 6771 1 324 . 1 1 27 27 GLN HG3 H 1 2.412 0.03 . 1 . . . . . . . . 6771 1 325 . 1 1 27 27 GLN HE21 H 1 7.755 0.03 . 2 . . . . . . . . 6771 1 326 . 1 1 27 27 GLN HE22 H 1 7.059 0.03 . 2 . . . . . . . . 6771 1 327 . 1 1 27 27 GLN CA C 13 60.437 0.20 . 1 . . . . . . . . 6771 1 328 . 1 1 27 27 GLN CB C 13 27.955 0.20 . 1 . . . . . . . . 6771 1 329 . 1 1 27 27 GLN CG C 13 34.296 0.20 . 1 . . . . . . . . 6771 1 330 . 1 1 27 27 GLN N N 15 123.598 0.20 . 1 . . . . . . . . 6771 1 331 . 1 1 27 27 GLN NE2 N 15 112.990 0.20 . 1 . . . . . . . . 6771 1 332 . 1 1 28 28 SER H H 1 8.621 0.03 . 1 . . . . . . . . 6771 1 333 . 1 1 28 28 SER HA H 1 4.141 0.03 . 1 . . . . . . . . 6771 1 334 . 1 1 28 28 SER HB2 H 1 3.978 0.03 . 2 . . . . . . . . 6771 1 335 . 1 1 28 28 SER HB3 H 1 3.939 0.03 . 2 . . . . . . . . 6771 1 336 . 1 1 28 28 SER CA C 13 60.436 0.20 . 1 . . . . . . . . 6771 1 337 . 1 1 28 28 SER CB C 13 62.009 0.20 . 1 . . . . . . . . 6771 1 338 . 1 1 28 28 SER N N 15 112.738 0.20 . 1 . . . . . . . . 6771 1 339 . 1 1 29 29 ALA H H 1 7.202 0.03 . 1 . . . . . . . . 6771 1 340 . 1 1 29 29 ALA HA H 1 3.794 0.03 . 1 . . . . . . . . 6771 1 341 . 1 1 29 29 ALA HB1 H 1 0.917 0.03 . 1 . . . . . . . . 6771 1 342 . 1 1 29 29 ALA HB2 H 1 0.917 0.03 . 1 . . . . . . . . 6771 1 343 . 1 1 29 29 ALA HB3 H 1 0.917 0.03 . 1 . . . . . . . . 6771 1 344 . 1 1 29 29 ALA CA C 13 54.602 0.20 . 1 . . . . . . . . 6771 1 345 . 1 1 29 29 ALA CB C 13 17.527 0.20 . 1 . . . . . . . . 6771 1 346 . 1 1 29 29 ALA N N 15 125.398 0.20 . 1 . . . . . . . . 6771 1 347 . 1 1 30 30 ILE H H 1 6.795 0.03 . 1 . . . . . . . . 6771 1 348 . 1 1 30 30 ILE HA H 1 3.416 0.03 . 1 . . . . . . . . 6771 1 349 . 1 1 30 30 ILE HB H 1 2.329 0.03 . 1 . . . . . . . . 6771 1 350 . 1 1 30 30 ILE HG12 H 1 1.321 0.03 . 2 . . . . . . . . 6771 1 351 . 1 1 30 30 ILE HG13 H 1 1.570 0.03 . 2 . . . . . . . . 6771 1 352 . 1 1 30 30 ILE HG21 H 1 0.980 0.03 . 1 . . . . . . . . 6771 1 353 . 1 1 30 30 ILE HG22 H 1 0.980 0.03 . 1 . . . . . . . . 6771 1 354 . 1 1 30 30 ILE HG23 H 1 0.980 0.03 . 1 . . . . . . . . 6771 1 355 . 1 1 30 30 ILE HD11 H 1 0.700 0.03 . 1 . . . . . . . . 6771 1 356 . 1 1 30 30 ILE HD12 H 1 0.700 0.03 . 1 . . . . . . . . 6771 1 357 . 1 1 30 30 ILE HD13 H 1 0.700 0.03 . 1 . . . . . . . . 6771 1 358 . 1 1 30 30 ILE CA C 13 62.465 0.20 . 1 . . . . . . . . 6771 1 359 . 1 1 30 30 ILE CB C 13 35.408 0.20 . 1 . . . . . . . . 6771 1 360 . 1 1 30 30 ILE CG1 C 13 27.485 0.20 . 1 . . . . . . . . 6771 1 361 . 1 1 30 30 ILE CG2 C 13 18.155 0.20 . 1 . . . . . . . . 6771 1 362 . 1 1 30 30 ILE CD1 C 13 11.354 0.20 . 1 . . . . . . . . 6771 1 363 . 1 1 30 30 ILE N N 15 113.851 0.20 . 1 . . . . . . . . 6771 1 364 . 1 1 31 31 ASN H H 1 8.128 0.03 . 1 . . . . . . . . 6771 1 365 . 1 1 31 31 ASN HA H 1 4.448 0.03 . 1 . . . . . . . . 6771 1 366 . 1 1 31 31 ASN HB2 H 1 3.021 0.03 . 2 . . . . . . . . 6771 1 367 . 1 1 31 31 ASN HB3 H 1 2.798 0.03 . 2 . . . . . . . . 6771 1 368 . 1 1 31 31 ASN HD21 H 1 7.740 0.03 . 2 . . . . . . . . 6771 1 369 . 1 1 31 31 ASN HD22 H 1 7.114 0.03 . 2 . . . . . . . . 6771 1 370 . 1 1 31 31 ASN CA C 13 56.892 0.20 . 1 . . . . . . . . 6771 1 371 . 1 1 31 31 ASN CB C 13 38.863 0.20 . 1 . . . . . . . . 6771 1 372 . 1 1 31 31 ASN N N 15 116.236 0.20 . 1 . . . . . . . . 6771 1 373 . 1 1 31 31 ASN ND2 N 15 113.357 0.20 . 1 . . . . . . . . 6771 1 374 . 1 1 32 32 LYS H H 1 7.693 0.03 . 1 . . . . . . . . 6771 1 375 . 1 1 32 32 LYS HA H 1 4.211 0.03 . 1 . . . . . . . . 6771 1 376 . 1 1 32 32 LYS HB2 H 1 2.009 0.03 . 1 . . . . . . . . 6771 1 377 . 1 1 32 32 LYS HB3 H 1 2.009 0.03 . 1 . . . . . . . . 6771 1 378 . 1 1 32 32 LYS HG2 H 1 1.549 0.03 . 2 . . . . . . . . 6771 1 379 . 1 1 32 32 LYS HG3 H 1 1.722 0.03 . 2 . . . . . . . . 6771 1 380 . 1 1 32 32 LYS HD2 H 1 1.797 0.03 . 1 . . . . . . . . 6771 1 381 . 1 1 32 32 LYS HD3 H 1 1.797 0.03 . 1 . . . . . . . . 6771 1 382 . 1 1 32 32 LYS HE2 H 1 3.068 0.03 . 1 . . . . . . . . 6771 1 383 . 1 1 32 32 LYS HE3 H 1 3.068 0.03 . 1 . . . . . . . . 6771 1 384 . 1 1 32 32 LYS CA C 13 59.864 0.20 . 1 . . . . . . . . 6771 1 385 . 1 1 32 32 LYS CB C 13 32.283 0.20 . 1 . . . . . . . . 6771 1 386 . 1 1 32 32 LYS CG C 13 25.358 0.20 . 1 . . . . . . . . 6771 1 387 . 1 1 32 32 LYS CD C 13 29.601 0.20 . 1 . . . . . . . . 6771 1 388 . 1 1 32 32 LYS CE C 13 42.168 0.20 . 1 . . . . . . . . 6771 1 389 . 1 1 32 32 LYS N N 15 120.317 0.20 . 1 . . . . . . . . 6771 1 390 . 1 1 33 33 TRP H H 1 8.785 0.03 . 1 . . . . . . . . 6771 1 391 . 1 1 33 33 TRP HA H 1 4.704 0.03 . 1 . . . . . . . . 6771 1 392 . 1 1 33 33 TRP HB2 H 1 2.996 0.03 . 1 . . . . . . . . 6771 1 393 . 1 1 33 33 TRP HB3 H 1 3.567 0.03 . 1 . . . . . . . . 6771 1 394 . 1 1 33 33 TRP HD1 H 1 7.171 0.03 . 1 . . . . . . . . 6771 1 395 . 1 1 33 33 TRP HE1 H 1 10.318 0.03 . 1 . . . . . . . . 6771 1 396 . 1 1 33 33 TRP HE3 H 1 7.298 0.03 . 1 . . . . . . . . 6771 1 397 . 1 1 33 33 TRP HZ2 H 1 7.576 0.03 . 1 . . . . . . . . 6771 1 398 . 1 1 33 33 TRP HZ3 H 1 6.855 0.03 . 1 . . . . . . . . 6771 1 399 . 1 1 33 33 TRP HH2 H 1 7.250 0.03 . 1 . . . . . . . . 6771 1 400 . 1 1 33 33 TRP CA C 13 58.521 0.20 . 1 . . . . . . . . 6771 1 401 . 1 1 33 33 TRP CB C 13 29.683 0.20 . 1 . . . . . . . . 6771 1 402 . 1 1 33 33 TRP CD1 C 13 124.357 0.20 . 1 . . . . . . . . 6771 1 403 . 1 1 33 33 TRP CE3 C 13 119.814 0.20 . 1 . . . . . . . . 6771 1 404 . 1 1 33 33 TRP CZ2 C 13 114.547 0.20 . 1 . . . . . . . . 6771 1 405 . 1 1 33 33 TRP CZ3 C 13 119.945 0.20 . 1 . . . . . . . . 6771 1 406 . 1 1 33 33 TRP CH2 C 13 124.691 0.20 . 1 . . . . . . . . 6771 1 407 . 1 1 33 33 TRP N N 15 121.546 0.20 . 1 . . . . . . . . 6771 1 408 . 1 1 33 33 TRP NE1 N 15 127.730 0.20 . 1 . . . . . . . . 6771 1 409 . 1 1 34 34 ILE H H 1 8.615 0.03 . 1 . . . . . . . . 6771 1 410 . 1 1 34 34 ILE HA H 1 4.068 0.03 . 1 . . . . . . . . 6771 1 411 . 1 1 34 34 ILE HB H 1 1.992 0.03 . 1 . . . . . . . . 6771 1 412 . 1 1 34 34 ILE HG12 H 1 2.080 0.03 . 2 . . . . . . . . 6771 1 413 . 1 1 34 34 ILE HG13 H 1 0.962 0.03 . 2 . . . . . . . . 6771 1 414 . 1 1 34 34 ILE HG21 H 1 0.972 0.03 . 1 . . . . . . . . 6771 1 415 . 1 1 34 34 ILE HG22 H 1 0.972 0.03 . 1 . . . . . . . . 6771 1 416 . 1 1 34 34 ILE HG23 H 1 0.972 0.03 . 1 . . . . . . . . 6771 1 417 . 1 1 34 34 ILE HD11 H 1 0.964 0.03 . 1 . . . . . . . . 6771 1 418 . 1 1 34 34 ILE HD12 H 1 0.964 0.03 . 1 . . . . . . . . 6771 1 419 . 1 1 34 34 ILE HD13 H 1 0.964 0.03 . 1 . . . . . . . . 6771 1 420 . 1 1 34 34 ILE CA C 13 65.389 0.20 . 1 . . . . . . . . 6771 1 421 . 1 1 34 34 ILE CB C 13 38.343 0.20 . 1 . . . . . . . . 6771 1 422 . 1 1 34 34 ILE CG1 C 13 30.117 0.20 . 1 . . . . . . . . 6771 1 423 . 1 1 34 34 ILE CG2 C 13 16.881 0.20 . 1 . . . . . . . . 6771 1 424 . 1 1 34 34 ILE CD1 C 13 14.472 0.20 . 1 . . . . . . . . 6771 1 425 . 1 1 34 34 ILE N N 15 119.636 0.20 . 1 . . . . . . . . 6771 1 426 . 1 1 35 35 HIS H H 1 8.554 0.03 . 1 . . . . . . . . 6771 1 427 . 1 1 35 35 HIS HA H 1 4.524 0.03 . 1 . . . . . . . . 6771 1 428 . 1 1 35 35 HIS HB2 H 1 3.512 0.03 . 2 . . . . . . . . 6771 1 429 . 1 1 35 35 HIS HB3 H 1 3.453 0.03 . 2 . . . . . . . . 6771 1 430 . 1 1 35 35 HIS HD2 H 1 7.475 0.03 . 1 . . . . . . . . 6771 1 431 . 1 1 35 35 HIS HE1 H 1 8.684 0.03 . 1 . . . . . . . . 6771 1 432 . 1 1 35 35 HIS CA C 13 59.233 0.20 . 1 . . . . . . . . 6771 1 433 . 1 1 35 35 HIS CB C 13 28.339 0.20 . 1 . . . . . . . . 6771 1 434 . 1 1 35 35 HIS CD2 C 13 120.069 0.20 . 1 . . . . . . . . 6771 1 435 . 1 1 35 35 HIS CE1 C 13 136.801 0.20 . 1 . . . . . . . . 6771 1 436 . 1 1 35 35 HIS N N 15 119.778 0.20 . 1 . . . . . . . . 6771 1 437 . 1 1 36 36 ALA H H 1 8.295 0.03 . 1 . . . . . . . . 6771 1 438 . 1 1 36 36 ALA HA H 1 4.506 0.03 . 1 . . . . . . . . 6771 1 439 . 1 1 36 36 ALA HB1 H 1 1.748 0.03 . 1 . . . . . . . . 6771 1 440 . 1 1 36 36 ALA HB2 H 1 1.748 0.03 . 1 . . . . . . . . 6771 1 441 . 1 1 36 36 ALA HB3 H 1 1.748 0.03 . 1 . . . . . . . . 6771 1 442 . 1 1 36 36 ALA CA C 13 52.682 0.20 . 1 . . . . . . . . 6771 1 443 . 1 1 36 36 ALA CB C 13 19.571 0.20 . 1 . . . . . . . . 6771 1 444 . 1 1 36 36 ALA N N 15 119.097 0.20 . 1 . . . . . . . . 6771 1 445 . 1 1 37 37 GLY H H 1 8.017 0.03 . 1 . . . . . . . . 6771 1 446 . 1 1 37 37 GLY HA2 H 1 4.073 0.03 . 2 . . . . . . . . 6771 1 447 . 1 1 37 37 GLY HA3 H 1 4.130 0.03 . 2 . . . . . . . . 6771 1 448 . 1 1 37 37 GLY CA C 13 46.901 0.20 . 1 . . . . . . . . 6771 1 449 . 1 1 37 37 GLY N N 15 107.490 0.20 . 1 . . . . . . . . 6771 1 450 . 1 1 38 38 ARG H H 1 7.797 0.03 . 1 . . . . . . . . 6771 1 451 . 1 1 38 38 ARG HA H 1 4.194 0.03 . 1 . . . . . . . . 6771 1 452 . 1 1 38 38 ARG HB2 H 1 1.682 0.03 . 1 . . . . . . . . 6771 1 453 . 1 1 38 38 ARG HB3 H 1 1.682 0.03 . 1 . . . . . . . . 6771 1 454 . 1 1 38 38 ARG HG2 H 1 1.628 0.03 . 2 . . . . . . . . 6771 1 455 . 1 1 38 38 ARG HG3 H 1 1.786 0.03 . 2 . . . . . . . . 6771 1 456 . 1 1 38 38 ARG HD2 H 1 2.804 0.03 . 2 . . . . . . . . 6771 1 457 . 1 1 38 38 ARG HD3 H 1 3.087 0.03 . 2 . . . . . . . . 6771 1 458 . 1 1 38 38 ARG HE H 1 7.763 0.03 . 1 . . . . . . . . 6771 1 459 . 1 1 38 38 ARG CA C 13 56.795 0.20 . 1 . . . . . . . . 6771 1 460 . 1 1 38 38 ARG CB C 13 30.770 0.20 . 1 . . . . . . . . 6771 1 461 . 1 1 38 38 ARG CG C 13 27.489 0.20 . 1 . . . . . . . . 6771 1 462 . 1 1 38 38 ARG CD C 13 42.543 0.20 . 1 . . . . . . . . 6771 1 463 . 1 1 38 38 ARG N N 15 118.797 0.20 . 1 . . . . . . . . 6771 1 464 . 1 1 38 38 ARG NE N 15 83.023 0.20 . 1 . . . . . . . . 6771 1 465 . 1 1 39 39 LYS H H 1 9.208 0.03 . 1 . . . . . . . . 6771 1 466 . 1 1 39 39 LYS HA H 1 4.431 0.03 . 1 . . . . . . . . 6771 1 467 . 1 1 39 39 LYS HB2 H 1 2.129 0.03 . 2 . . . . . . . . 6771 1 468 . 1 1 39 39 LYS HB3 H 1 1.890 0.03 . 2 . . . . . . . . 6771 1 469 . 1 1 39 39 LYS HG2 H 1 1.638 0.03 . 2 . . . . . . . . 6771 1 470 . 1 1 39 39 LYS HG3 H 1 1.480 0.03 . 2 . . . . . . . . 6771 1 471 . 1 1 39 39 LYS HD2 H 1 1.846 0.03 . 1 . . . . . . . . 6771 1 472 . 1 1 39 39 LYS HD3 H 1 1.846 0.03 . 1 . . . . . . . . 6771 1 473 . 1 1 39 39 LYS HE2 H 1 3.178 0.03 . 1 . . . . . . . . 6771 1 474 . 1 1 39 39 LYS HE3 H 1 3.178 0.03 . 1 . . . . . . . . 6771 1 475 . 1 1 39 39 LYS CA C 13 55.523 0.20 . 1 . . . . . . . . 6771 1 476 . 1 1 39 39 LYS CB C 13 30.972 0.20 . 1 . . . . . . . . 6771 1 477 . 1 1 39 39 LYS CG C 13 24.859 0.20 . 1 . . . . . . . . 6771 1 478 . 1 1 39 39 LYS CD C 13 29.429 0.20 . 1 . . . . . . . . 6771 1 479 . 1 1 39 39 LYS CE C 13 42.403 0.20 . 1 . . . . . . . . 6771 1 480 . 1 1 39 39 LYS N N 15 127.787 0.20 . 1 . . . . . . . . 6771 1 481 . 1 1 40 40 ILE H H 1 7.325 0.03 . 1 . . . . . . . . 6771 1 482 . 1 1 40 40 ILE HA H 1 4.691 0.03 . 1 . . . . . . . . 6771 1 483 . 1 1 40 40 ILE HB H 1 1.401 0.03 . 1 . . . . . . . . 6771 1 484 . 1 1 40 40 ILE HG12 H 1 1.248 0.03 . 2 . . . . . . . . 6771 1 485 . 1 1 40 40 ILE HG13 H 1 0.740 0.03 . 2 . . . . . . . . 6771 1 486 . 1 1 40 40 ILE HG21 H 1 0.737 0.03 . 1 . . . . . . . . 6771 1 487 . 1 1 40 40 ILE HG22 H 1 0.737 0.03 . 1 . . . . . . . . 6771 1 488 . 1 1 40 40 ILE HG23 H 1 0.737 0.03 . 1 . . . . . . . . 6771 1 489 . 1 1 40 40 ILE HD11 H 1 0.311 0.03 . 1 . . . . . . . . 6771 1 490 . 1 1 40 40 ILE HD12 H 1 0.311 0.03 . 1 . . . . . . . . 6771 1 491 . 1 1 40 40 ILE HD13 H 1 0.311 0.03 . 1 . . . . . . . . 6771 1 492 . 1 1 40 40 ILE CA C 13 59.656 0.20 . 1 . . . . . . . . 6771 1 493 . 1 1 40 40 ILE CB C 13 40.534 0.20 . 1 . . . . . . . . 6771 1 494 . 1 1 40 40 ILE CG1 C 13 27.978 0.20 . 1 . . . . . . . . 6771 1 495 . 1 1 40 40 ILE CG2 C 13 17.639 0.20 . 1 . . . . . . . . 6771 1 496 . 1 1 40 40 ILE CD1 C 13 13.508 0.20 . 1 . . . . . . . . 6771 1 497 . 1 1 40 40 ILE N N 15 123.996 0.20 . 1 . . . . . . . . 6771 1 498 . 1 1 41 41 PHE H H 1 9.193 0.03 . 1 . . . . . . . . 6771 1 499 . 1 1 41 41 PHE HA H 1 5.066 0.03 . 1 . . . . . . . . 6771 1 500 . 1 1 41 41 PHE HB2 H 1 2.842 0.03 . 1 . . . . . . . . 6771 1 501 . 1 1 41 41 PHE HB3 H 1 2.842 0.03 . 1 . . . . . . . . 6771 1 502 . 1 1 41 41 PHE HD1 H 1 7.080 0.03 . 1 . . . . . . . . 6771 1 503 . 1 1 41 41 PHE HD2 H 1 7.080 0.03 . 1 . . . . . . . . 6771 1 504 . 1 1 41 41 PHE HE1 H 1 7.382 0.03 . 1 . . . . . . . . 6771 1 505 . 1 1 41 41 PHE HE2 H 1 7.382 0.03 . 1 . . . . . . . . 6771 1 506 . 1 1 41 41 PHE HZ H 1 7.387 0.03 . 1 . . . . . . . . 6771 1 507 . 1 1 41 41 PHE CA C 13 57.079 0.20 . 1 . . . . . . . . 6771 1 508 . 1 1 41 41 PHE CB C 13 42.591 0.20 . 1 . . . . . . . . 6771 1 509 . 1 1 41 41 PHE N N 15 126.821 0.20 . 1 . . . . . . . . 6771 1 510 . 1 1 42 42 LEU H H 1 9.926 0.03 . 1 . . . . . . . . 6771 1 511 . 1 1 42 42 LEU HA H 1 5.252 0.03 . 1 . . . . . . . . 6771 1 512 . 1 1 42 42 LEU HB2 H 1 1.190 0.03 . 2 . . . . . . . . 6771 1 513 . 1 1 42 42 LEU HB3 H 1 1.555 0.03 . 2 . . . . . . . . 6771 1 514 . 1 1 42 42 LEU HG H 1 1.383 0.03 . 1 . . . . . . . . 6771 1 515 . 1 1 42 42 LEU HD11 H 1 0.596 0.03 . 2 . . . . . . . . 6771 1 516 . 1 1 42 42 LEU HD12 H 1 0.596 0.03 . 2 . . . . . . . . 6771 1 517 . 1 1 42 42 LEU HD13 H 1 0.596 0.03 . 2 . . . . . . . . 6771 1 518 . 1 1 42 42 LEU HD21 H 1 0.342 0.03 . 2 . . . . . . . . 6771 1 519 . 1 1 42 42 LEU HD22 H 1 0.342 0.03 . 2 . . . . . . . . 6771 1 520 . 1 1 42 42 LEU HD23 H 1 0.342 0.03 . 2 . . . . . . . . 6771 1 521 . 1 1 42 42 LEU CA C 13 54.403 0.20 . 1 . . . . . . . . 6771 1 522 . 1 1 42 42 LEU CB C 13 43.520 0.20 . 1 . . . . . . . . 6771 1 523 . 1 1 42 42 LEU CG C 13 29.166 0.20 . 1 . . . . . . . . 6771 1 524 . 1 1 42 42 LEU CD1 C 13 25.112 0.20 . 2 . . . . . . . . 6771 1 525 . 1 1 42 42 LEU CD2 C 13 25.021 0.20 . 2 . . . . . . . . 6771 1 526 . 1 1 42 42 LEU N N 15 124.983 0.20 . 1 . . . . . . . . 6771 1 527 . 1 1 43 43 THR H H 1 8.973 0.03 . 1 . . . . . . . . 6771 1 528 . 1 1 43 43 THR HA H 1 4.903 0.03 . 1 . . . . . . . . 6771 1 529 . 1 1 43 43 THR HB H 1 3.734 0.03 . 1 . . . . . . . . 6771 1 530 . 1 1 43 43 THR HG21 H 1 1.191 0.03 . 1 . . . . . . . . 6771 1 531 . 1 1 43 43 THR HG22 H 1 1.191 0.03 . 1 . . . . . . . . 6771 1 532 . 1 1 43 43 THR HG23 H 1 1.191 0.03 . 1 . . . . . . . . 6771 1 533 . 1 1 43 43 THR CA C 13 61.952 0.20 . 1 . . . . . . . . 6771 1 534 . 1 1 43 43 THR CB C 13 71.239 0.20 . 1 . . . . . . . . 6771 1 535 . 1 1 43 43 THR CG2 C 13 21.492 0.20 . 1 . . . . . . . . 6771 1 536 . 1 1 43 43 THR N N 15 118.543 0.20 . 1 . . . . . . . . 6771 1 537 . 1 1 44 44 ILE H H 1 8.830 0.03 . 1 . . . . . . . . 6771 1 538 . 1 1 44 44 ILE HA H 1 4.588 0.03 . 1 . . . . . . . . 6771 1 539 . 1 1 44 44 ILE HB H 1 1.967 0.03 . 1 . . . . . . . . 6771 1 540 . 1 1 44 44 ILE HG12 H 1 1.257 0.03 . 2 . . . . . . . . 6771 1 541 . 1 1 44 44 ILE HG13 H 1 1.762 0.03 . 2 . . . . . . . . 6771 1 542 . 1 1 44 44 ILE HG21 H 1 1.104 0.03 . 1 . . . . . . . . 6771 1 543 . 1 1 44 44 ILE HG22 H 1 1.104 0.03 . 1 . . . . . . . . 6771 1 544 . 1 1 44 44 ILE HG23 H 1 1.104 0.03 . 1 . . . . . . . . 6771 1 545 . 1 1 44 44 ILE HD11 H 1 1.111 0.03 . 1 . . . . . . . . 6771 1 546 . 1 1 44 44 ILE HD12 H 1 1.111 0.03 . 1 . . . . . . . . 6771 1 547 . 1 1 44 44 ILE HD13 H 1 1.111 0.03 . 1 . . . . . . . . 6771 1 548 . 1 1 44 44 ILE CA C 13 60.792 0.20 . 1 . . . . . . . . 6771 1 549 . 1 1 44 44 ILE CB C 13 38.543 0.20 . 1 . . . . . . . . 6771 1 550 . 1 1 44 44 ILE CG1 C 13 27.942 0.20 . 1 . . . . . . . . 6771 1 551 . 1 1 44 44 ILE CG2 C 13 17.779 0.20 . 1 . . . . . . . . 6771 1 552 . 1 1 44 44 ILE CD1 C 13 14.097 0.20 . 1 . . . . . . . . 6771 1 553 . 1 1 44 44 ILE N N 15 126.046 0.20 . 1 . . . . . . . . 6771 1 554 . 1 1 45 45 ASN H H 1 9.191 0.03 . 1 . . . . . . . . 6771 1 555 . 1 1 45 45 ASN HA H 1 4.957 0.03 . 1 . . . . . . . . 6771 1 556 . 1 1 45 45 ASN HB2 H 1 3.030 0.03 . 2 . . . . . . . . 6771 1 557 . 1 1 45 45 ASN HB3 H 1 3.080 0.03 . 2 . . . . . . . . 6771 1 558 . 1 1 45 45 ASN HD21 H 1 7.670 0.03 . 2 . . . . . . . . 6771 1 559 . 1 1 45 45 ASN HD22 H 1 6.350 0.03 . 2 . . . . . . . . 6771 1 560 . 1 1 45 45 ASN CA C 13 52.937 0.20 . 1 . . . . . . . . 6771 1 561 . 1 1 45 45 ASN CB C 13 39.939 0.20 . 1 . . . . . . . . 6771 1 562 . 1 1 45 45 ASN N N 15 126.395 0.20 . 1 . . . . . . . . 6771 1 563 . 1 1 45 45 ASN ND2 N 15 112.762 0.20 . 1 . . . . . . . . 6771 1 564 . 1 1 46 46 ALA H H 1 9.157 0.03 . 1 . . . . . . . . 6771 1 565 . 1 1 46 46 ALA HA H 1 4.259 0.03 . 1 . . . . . . . . 6771 1 566 . 1 1 46 46 ALA HB1 H 1 1.593 0.03 . 1 . . . . . . . . 6771 1 567 . 1 1 46 46 ALA HB2 H 1 1.593 0.03 . 1 . . . . . . . . 6771 1 568 . 1 1 46 46 ALA HB3 H 1 1.593 0.03 . 1 . . . . . . . . 6771 1 569 . 1 1 46 46 ALA CA C 13 55.192 0.20 . 1 . . . . . . . . 6771 1 570 . 1 1 46 46 ALA CB C 13 18.335 0.20 . 1 . . . . . . . . 6771 1 571 . 1 1 46 46 ALA N N 15 124.656 0.20 . 1 . . . . . . . . 6771 1 572 . 1 1 47 47 ASP H H 1 8.055 0.03 . 1 . . . . . . . . 6771 1 573 . 1 1 47 47 ASP HA H 1 4.621 0.03 . 1 . . . . . . . . 6771 1 574 . 1 1 47 47 ASP HB2 H 1 2.762 0.03 . 1 . . . . . . . . 6771 1 575 . 1 1 47 47 ASP HB3 H 1 3.222 0.03 . 1 . . . . . . . . 6771 1 576 . 1 1 47 47 ASP CA C 13 53.406 0.20 . 1 . . . . . . . . 6771 1 577 . 1 1 47 47 ASP CB C 13 39.923 0.20 . 1 . . . . . . . . 6771 1 578 . 1 1 47 47 ASP N N 15 114.186 0.20 . 1 . . . . . . . . 6771 1 579 . 1 1 48 48 GLY H H 1 8.310 0.03 . 1 . . . . . . . . 6771 1 580 . 1 1 48 48 GLY HA2 H 1 3.631 0.03 . 2 . . . . . . . . 6771 1 581 . 1 1 48 48 GLY HA3 H 1 4.444 0.03 . 2 . . . . . . . . 6771 1 582 . 1 1 48 48 GLY CA C 13 45.191 0.20 . 1 . . . . . . . . 6771 1 583 . 1 1 48 48 GLY N N 15 109.356 0.20 . 1 . . . . . . . . 6771 1 584 . 1 1 49 49 SER H H 1 8.382 0.03 . 1 . . . . . . . . 6771 1 585 . 1 1 49 49 SER HA H 1 4.430 0.03 . 1 . . . . . . . . 6771 1 586 . 1 1 49 49 SER HB2 H 1 4.150 0.03 . 2 . . . . . . . . 6771 1 587 . 1 1 49 49 SER HB3 H 1 4.100 0.03 . 2 . . . . . . . . 6771 1 588 . 1 1 49 49 SER CA C 13 59.060 0.20 . 1 . . . . . . . . 6771 1 589 . 1 1 49 49 SER CB C 13 64.591 0.20 . 1 . . . . . . . . 6771 1 590 . 1 1 49 49 SER N N 15 117.869 0.20 . 1 . . . . . . . . 6771 1 591 . 1 1 50 50 VAL H H 1 8.439 0.03 . 1 . . . . . . . . 6771 1 592 . 1 1 50 50 VAL HA H 1 5.267 0.03 . 1 . . . . . . . . 6771 1 593 . 1 1 50 50 VAL HB H 1 1.784 0.03 . 1 . . . . . . . . 6771 1 594 . 1 1 50 50 VAL HG11 H 1 0.877 0.03 . 2 . . . . . . . . 6771 1 595 . 1 1 50 50 VAL HG12 H 1 0.877 0.03 . 2 . . . . . . . . 6771 1 596 . 1 1 50 50 VAL HG13 H 1 0.877 0.03 . 2 . . . . . . . . 6771 1 597 . 1 1 50 50 VAL HG21 H 1 0.742 0.03 . 2 . . . . . . . . 6771 1 598 . 1 1 50 50 VAL HG22 H 1 0.742 0.03 . 2 . . . . . . . . 6771 1 599 . 1 1 50 50 VAL HG23 H 1 0.742 0.03 . 2 . . . . . . . . 6771 1 600 . 1 1 50 50 VAL CA C 13 60.481 0.20 . 1 . . . . . . . . 6771 1 601 . 1 1 50 50 VAL CB C 13 35.247 0.20 . 1 . . . . . . . . 6771 1 602 . 1 1 50 50 VAL CG1 C 13 21.221 0.20 . 2 . . . . . . . . 6771 1 603 . 1 1 50 50 VAL CG2 C 13 21.947 0.20 . 2 . . . . . . . . 6771 1 604 . 1 1 50 50 VAL N N 15 117.879 0.20 . 1 . . . . . . . . 6771 1 605 . 1 1 51 51 TYR H H 1 8.790 0.03 . 1 . . . . . . . . 6771 1 606 . 1 1 51 51 TYR HA H 1 4.993 0.03 . 1 . . . . . . . . 6771 1 607 . 1 1 51 51 TYR HB2 H 1 3.130 0.03 . 2 . . . . . . . . 6771 1 608 . 1 1 51 51 TYR HB3 H 1 3.060 0.03 . 2 . . . . . . . . 6771 1 609 . 1 1 51 51 TYR HD1 H 1 7.148 0.03 . 1 . . . . . . . . 6771 1 610 . 1 1 51 51 TYR HD2 H 1 7.148 0.03 . 1 . . . . . . . . 6771 1 611 . 1 1 51 51 TYR HE1 H 1 6.898 0.03 . 1 . . . . . . . . 6771 1 612 . 1 1 51 51 TYR HE2 H 1 6.898 0.03 . 1 . . . . . . . . 6771 1 613 . 1 1 51 51 TYR CA C 13 56.072 0.20 . 1 . . . . . . . . 6771 1 614 . 1 1 51 51 TYR CB C 13 41.271 0.20 . 1 . . . . . . . . 6771 1 615 . 1 1 51 51 TYR CD1 C 13 133.341 0.20 . 1 . . . . . . . . 6771 1 616 . 1 1 51 51 TYR CD2 C 13 133.341 0.20 . 1 . . . . . . . . 6771 1 617 . 1 1 51 51 TYR CE1 C 13 118.184 0.20 . 1 . . . . . . . . 6771 1 618 . 1 1 51 51 TYR CE2 C 13 118.184 0.20 . 1 . . . . . . . . 6771 1 619 . 1 1 51 51 TYR N N 15 124.368 0.20 . 1 . . . . . . . . 6771 1 620 . 1 1 52 52 ALA H H 1 8.679 0.03 . 1 . . . . . . . . 6771 1 621 . 1 1 52 52 ALA HA H 1 5.234 0.03 . 1 . . . . . . . . 6771 1 622 . 1 1 52 52 ALA HB1 H 1 1.250 0.03 . 1 . . . . . . . . 6771 1 623 . 1 1 52 52 ALA HB2 H 1 1.250 0.03 . 1 . . . . . . . . 6771 1 624 . 1 1 52 52 ALA HB3 H 1 1.250 0.03 . 1 . . . . . . . . 6771 1 625 . 1 1 52 52 ALA CA C 13 50.517 0.20 . 1 . . . . . . . . 6771 1 626 . 1 1 52 52 ALA CB C 13 21.935 0.20 . 1 . . . . . . . . 6771 1 627 . 1 1 52 52 ALA N N 15 126.604 0.20 . 1 . . . . . . . . 6771 1 628 . 1 1 53 53 GLU H H 1 8.887 0.03 . 1 . . . . . . . . 6771 1 629 . 1 1 53 53 GLU HA H 1 4.538 0.03 . 1 . . . . . . . . 6771 1 630 . 1 1 53 53 GLU HB2 H 1 2.088 0.03 . 2 . . . . . . . . 6771 1 631 . 1 1 53 53 GLU HB3 H 1 2.052 0.03 . 2 . . . . . . . . 6771 1 632 . 1 1 53 53 GLU HG2 H 1 2.292 0.03 . 1 . . . . . . . . 6771 1 633 . 1 1 53 53 GLU HG3 H 1 2.292 0.03 . 1 . . . . . . . . 6771 1 634 . 1 1 53 53 GLU CA C 13 55.585 0.20 . 1 . . . . . . . . 6771 1 635 . 1 1 53 53 GLU CB C 13 33.374 0.20 . 1 . . . . . . . . 6771 1 636 . 1 1 53 53 GLU CG C 13 36.369 0.20 . 1 . . . . . . . . 6771 1 637 . 1 1 53 53 GLU N N 15 120.582 0.20 . 1 . . . . . . . . 6771 1 638 . 1 1 54 54 GLU H H 1 8.839 0.03 . 1 . . . . . . . . 6771 1 639 . 1 1 54 54 GLU HA H 1 4.911 0.03 . 1 . . . . . . . . 6771 1 640 . 1 1 54 54 GLU HB2 H 1 1.801 0.03 . 2 . . . . . . . . 6771 1 641 . 1 1 54 54 GLU HB3 H 1 1.956 0.03 . 2 . . . . . . . . 6771 1 642 . 1 1 54 54 GLU HG2 H 1 2.141 0.03 . 1 . . . . . . . . 6771 1 643 . 1 1 54 54 GLU HG3 H 1 2.141 0.03 . 1 . . . . . . . . 6771 1 644 . 1 1 54 54 GLU CA C 13 55.357 0.20 . 1 . . . . . . . . 6771 1 645 . 1 1 54 54 GLU CB C 13 31.403 0.20 . 1 . . . . . . . . 6771 1 646 . 1 1 54 54 GLU CG C 13 36.119 0.20 . 1 . . . . . . . . 6771 1 647 . 1 1 54 54 GLU N N 15 123.226 0.20 . 1 . . . . . . . . 6771 1 648 . 1 1 55 55 VAL H H 1 8.474 0.03 . 1 . . . . . . . . 6771 1 649 . 1 1 55 55 VAL HA H 1 4.224 0.03 . 1 . . . . . . . . 6771 1 650 . 1 1 55 55 VAL HB H 1 2.151 0.03 . 1 . . . . . . . . 6771 1 651 . 1 1 55 55 VAL HG11 H 1 1.028 0.03 . 1 . . . . . . . . 6771 1 652 . 1 1 55 55 VAL HG12 H 1 1.028 0.03 . 1 . . . . . . . . 6771 1 653 . 1 1 55 55 VAL HG13 H 1 1.028 0.03 . 1 . . . . . . . . 6771 1 654 . 1 1 55 55 VAL HG21 H 1 1.028 0.03 . 1 . . . . . . . . 6771 1 655 . 1 1 55 55 VAL HG22 H 1 1.028 0.03 . 1 . . . . . . . . 6771 1 656 . 1 1 55 55 VAL HG23 H 1 1.028 0.03 . 1 . . . . . . . . 6771 1 657 . 1 1 55 55 VAL CA C 13 62.455 0.20 . 1 . . . . . . . . 6771 1 658 . 1 1 55 55 VAL CB C 13 32.733 0.20 . 1 . . . . . . . . 6771 1 659 . 1 1 55 55 VAL CG1 C 13 21.340 0.20 . 1 . . . . . . . . 6771 1 660 . 1 1 55 55 VAL CG2 C 13 21.340 0.20 . 1 . . . . . . . . 6771 1 661 . 1 1 55 55 VAL N N 15 125.620 0.20 . 1 . . . . . . . . 6771 1 662 . 1 1 56 56 LYS H H 1 8.688 0.03 . 1 . . . . . . . . 6771 1 663 . 1 1 56 56 LYS HA H 1 4.743 0.03 . 1 . . . . . . . . 6771 1 664 . 1 1 56 56 LYS HB2 H 1 1.851 0.03 . 2 . . . . . . . . 6771 1 665 . 1 1 56 56 LYS HB3 H 1 1.962 0.03 . 2 . . . . . . . . 6771 1 666 . 1 1 56 56 LYS HG2 H 1 1.583 0.03 . 2 . . . . . . . . 6771 1 667 . 1 1 56 56 LYS HG3 H 1 1.530 0.03 . 2 . . . . . . . . 6771 1 668 . 1 1 56 56 LYS HD2 H 1 1.796 0.03 . 1 . . . . . . . . 6771 1 669 . 1 1 56 56 LYS HD3 H 1 1.796 0.03 . 1 . . . . . . . . 6771 1 670 . 1 1 56 56 LYS HE2 H 1 3.102 0.03 . 1 . . . . . . . . 6771 1 671 . 1 1 56 56 LYS HE3 H 1 3.102 0.03 . 1 . . . . . . . . 6771 1 672 . 1 1 56 56 LYS CA C 13 54.286 0.20 . 1 . . . . . . . . 6771 1 673 . 1 1 56 56 LYS CB C 13 32.694 0.20 . 1 . . . . . . . . 6771 1 674 . 1 1 56 56 LYS CG C 13 24.972 0.20 . 1 . . . . . . . . 6771 1 675 . 1 1 56 56 LYS CD C 13 29.439 0.20 . 1 . . . . . . . . 6771 1 676 . 1 1 56 56 LYS CE C 13 42.225 0.20 . 1 . . . . . . . . 6771 1 677 . 1 1 56 56 LYS N N 15 127.974 0.20 . 1 . . . . . . . . 6771 1 678 . 1 1 57 57 PRO HA H 1 4.542 0.03 . 1 . . . . . . . . 6771 1 679 . 1 1 57 57 PRO HB2 H 1 2.010 0.03 . 2 . . . . . . . . 6771 1 680 . 1 1 57 57 PRO HB3 H 1 2.431 0.03 . 2 . . . . . . . . 6771 1 681 . 1 1 57 57 PRO HG2 H 1 2.168 0.03 . 1 . . . . . . . . 6771 1 682 . 1 1 57 57 PRO HG3 H 1 2.168 0.03 . 1 . . . . . . . . 6771 1 683 . 1 1 57 57 PRO HD2 H 1 3.758 0.03 . 2 . . . . . . . . 6771 1 684 . 1 1 57 57 PRO HD3 H 1 3.950 0.03 . 2 . . . . . . . . 6771 1 685 . 1 1 57 57 PRO CA C 13 62.935 0.20 . 1 . . . . . . . . 6771 1 686 . 1 1 57 57 PRO CB C 13 27.640 0.20 . 1 . . . . . . . . 6771 1 687 . 1 1 57 57 PRO CG C 13 33.309 0.20 . 1 . . . . . . . . 6771 1 688 . 1 1 57 57 PRO CD C 13 50.744 0.20 . 1 . . . . . . . . 6771 1 689 . 1 1 58 58 ASP H H 1 8.660 0.03 . 1 . . . . . . . . 6771 1 690 . 1 1 58 58 ASP HA H 1 4.935 0.03 . 1 . . . . . . . . 6771 1 691 . 1 1 58 58 ASP HB2 H 1 2.685 0.03 . 2 . . . . . . . . 6771 1 692 . 1 1 58 58 ASP HB3 H 1 2.898 0.03 . 2 . . . . . . . . 6771 1 693 . 1 1 58 58 ASP CA C 13 52.327 0.20 . 1 . . . . . . . . 6771 1 694 . 1 1 58 58 ASP CB C 13 41.180 0.20 . 1 . . . . . . . . 6771 1 695 . 1 1 58 58 ASP N N 15 122.611 0.20 . 1 . . . . . . . . 6771 1 696 . 1 1 59 59 PRO HA H 1 4.575 0.03 . 1 . . . . . . . . 6771 1 697 . 1 1 59 59 PRO HB2 H 1 2.149 0.03 . 2 . . . . . . . . 6771 1 698 . 1 1 59 59 PRO HB3 H 1 2.442 0.03 . 2 . . . . . . . . 6771 1 699 . 1 1 59 59 PRO HG2 H 1 2.156 0.03 . 1 . . . . . . . . 6771 1 700 . 1 1 59 59 PRO HG3 H 1 2.156 0.03 . 1 . . . . . . . . 6771 1 701 . 1 1 59 59 PRO HD2 H 1 3.996 0.03 . 2 . . . . . . . . 6771 1 702 . 1 1 59 59 PRO HD3 H 1 3.930 0.03 . 2 . . . . . . . . 6771 1 703 . 1 1 59 59 PRO CA C 13 63.776 0.20 . 1 . . . . . . . . 6771 1 704 . 1 1 59 59 PRO CB C 13 27.320 0.20 . 1 . . . . . . . . 6771 1 705 . 1 1 59 59 PRO CG C 13 31.222 0.20 . 1 . . . . . . . . 6771 1 706 . 1 1 59 59 PRO CD C 13 50.975 0.20 . 1 . . . . . . . . 6771 1 707 . 1 1 60 60 SER H H 1 8.637 0.03 . 1 . . . . . . . . 6771 1 708 . 1 1 60 60 SER HA H 1 4.476 0.03 . 1 . . . . . . . . 6771 1 709 . 1 1 60 60 SER HB2 H 1 4.045 0.03 . 2 . . . . . . . . 6771 1 710 . 1 1 60 60 SER HB3 H 1 4.000 0.03 . 2 . . . . . . . . 6771 1 711 . 1 1 60 60 SER CA C 13 59.132 0.20 . 1 . . . . . . . . 6771 1 712 . 1 1 60 60 SER CB C 13 63.835 0.20 . 1 . . . . . . . . 6771 1 713 . 1 1 60 60 SER N N 15 115.731 0.20 . 1 . . . . . . . . 6771 1 714 . 1 1 61 61 ASN H H 1 8.351 0.03 . 1 . . . . . . . . 6771 1 715 . 1 1 61 61 ASN HA H 1 4.810 0.03 . 1 . . . . . . . . 6771 1 716 . 1 1 61 61 ASN HB2 H 1 2.987 0.03 . 2 . . . . . . . . 6771 1 717 . 1 1 61 61 ASN HB3 H 1 2.901 0.03 . 2 . . . . . . . . 6771 1 718 . 1 1 61 61 ASN HD21 H 1 7.787 0.03 . 2 . . . . . . . . 6771 1 719 . 1 1 61 61 ASN HD22 H 1 7.044 0.03 . 2 . . . . . . . . 6771 1 720 . 1 1 61 61 ASN CA C 13 53.352 0.20 . 1 . . . . . . . . 6771 1 721 . 1 1 61 61 ASN CB C 13 38.848 0.20 . 1 . . . . . . . . 6771 1 722 . 1 1 61 61 ASN N N 15 120.734 0.20 . 1 . . . . . . . . 6771 1 723 . 1 1 61 61 ASN ND2 N 15 112.885 0.20 . 1 . . . . . . . . 6771 1 724 . 1 1 62 62 LYS H H 1 8.336 0.03 . 1 . . . . . . . . 6771 1 725 . 1 1 62 62 LYS HA H 1 4.405 0.03 . 1 . . . . . . . . 6771 1 726 . 1 1 62 62 LYS HB2 H 1 1.962 0.03 . 2 . . . . . . . . 6771 1 727 . 1 1 62 62 LYS HB3 H 1 1.874 0.03 . 2 . . . . . . . . 6771 1 728 . 1 1 62 62 LYS HG2 H 1 1.564 0.03 . 2 . . . . . . . . 6771 1 729 . 1 1 62 62 LYS HG3 H 1 1.528 0.03 . 2 . . . . . . . . 6771 1 730 . 1 1 62 62 LYS HD2 H 1 1.772 0.03 . 1 . . . . . . . . 6771 1 731 . 1 1 62 62 LYS HD3 H 1 1.772 0.03 . 1 . . . . . . . . 6771 1 732 . 1 1 62 62 LYS HE2 H 1 3.124 0.03 . 1 . . . . . . . . 6771 1 733 . 1 1 62 62 LYS HE3 H 1 3.124 0.03 . 1 . . . . . . . . 6771 1 734 . 1 1 62 62 LYS CA C 13 56.483 0.20 . 1 . . . . . . . . 6771 1 735 . 1 1 62 62 LYS CB C 13 33.092 0.20 . 1 . . . . . . . . 6771 1 736 . 1 1 62 62 LYS CG C 13 24.813 0.20 . 1 . . . . . . . . 6771 1 737 . 1 1 62 62 LYS CD C 13 29.227 0.20 . 1 . . . . . . . . 6771 1 738 . 1 1 62 62 LYS CE C 13 42.299 0.20 . 1 . . . . . . . . 6771 1 739 . 1 1 62 62 LYS N N 15 122.020 0.20 . 1 . . . . . . . . 6771 1 740 . 1 1 63 63 LYS H H 1 8.557 0.03 . 1 . . . . . . . . 6771 1 741 . 1 1 63 63 LYS HA H 1 4.520 0.03 . 1 . . . . . . . . 6771 1 742 . 1 1 63 63 LYS HB2 H 1 1.992 0.03 . 2 . . . . . . . . 6771 1 743 . 1 1 63 63 LYS HB3 H 1 1.893 0.03 . 2 . . . . . . . . 6771 1 744 . 1 1 63 63 LYS HG2 H 1 1.606 0.03 . 2 . . . . . . . . 6771 1 745 . 1 1 63 63 LYS HG3 H 1 1.558 0.03 . 2 . . . . . . . . 6771 1 746 . 1 1 63 63 LYS HD2 H 1 1.805 0.03 . 1 . . . . . . . . 6771 1 747 . 1 1 63 63 LYS HD3 H 1 1.805 0.03 . 1 . . . . . . . . 6771 1 748 . 1 1 63 63 LYS HE2 H 1 3.101 0.03 . 1 . . . . . . . . 6771 1 749 . 1 1 63 63 LYS HE3 H 1 3.101 0.03 . 1 . . . . . . . . 6771 1 750 . 1 1 63 63 LYS CA C 13 56.492 0.20 . 1 . . . . . . . . 6771 1 751 . 1 1 63 63 LYS CB C 13 33.228 0.20 . 1 . . . . . . . . 6771 1 752 . 1 1 63 63 LYS CG C 13 25.001 0.20 . 1 . . . . . . . . 6771 1 753 . 1 1 63 63 LYS CD C 13 29.261 0.20 . 1 . . . . . . . . 6771 1 754 . 1 1 63 63 LYS CE C 13 42.281 0.20 . 1 . . . . . . . . 6771 1 755 . 1 1 63 63 LYS N N 15 123.176 0.20 . 1 . . . . . . . . 6771 1 756 . 1 1 64 64 THR H H 1 8.458 0.03 . 1 . . . . . . . . 6771 1 757 . 1 1 64 64 THR HA H 1 4.531 0.03 . 1 . . . . . . . . 6771 1 758 . 1 1 64 64 THR HB H 1 4.388 0.03 . 1 . . . . . . . . 6771 1 759 . 1 1 64 64 THR HG21 H 1 1.347 0.03 . 1 . . . . . . . . 6771 1 760 . 1 1 64 64 THR HG22 H 1 1.347 0.03 . 1 . . . . . . . . 6771 1 761 . 1 1 64 64 THR HG23 H 1 1.347 0.03 . 1 . . . . . . . . 6771 1 762 . 1 1 64 64 THR CA C 13 61.893 0.20 . 1 . . . . . . . . 6771 1 763 . 1 1 64 64 THR CB C 13 69.770 0.20 . 1 . . . . . . . . 6771 1 764 . 1 1 64 64 THR CG2 C 13 21.819 0.20 . 1 . . . . . . . . 6771 1 765 . 1 1 64 64 THR N N 15 115.979 0.20 . 1 . . . . . . . . 6771 1 766 . 1 1 65 65 THR H H 1 8.261 0.03 . 1 . . . . . . . . 6771 1 767 . 1 1 65 65 THR HA H 1 4.483 0.03 . 1 . . . . . . . . 6771 1 768 . 1 1 65 65 THR HB H 1 4.364 0.03 . 1 . . . . . . . . 6771 1 769 . 1 1 65 65 THR HG21 H 1 1.326 0.03 . 1 . . . . . . . . 6771 1 770 . 1 1 65 65 THR HG22 H 1 1.326 0.03 . 1 . . . . . . . . 6771 1 771 . 1 1 65 65 THR HG23 H 1 1.326 0.03 . 1 . . . . . . . . 6771 1 772 . 1 1 65 65 THR CA C 13 61.605 0.20 . 1 . . . . . . . . 6771 1 773 . 1 1 65 65 THR CB C 13 70.350 0.20 . 1 . . . . . . . . 6771 1 774 . 1 1 65 65 THR CG2 C 13 21.552 0.20 . 1 . . . . . . . . 6771 1 775 . 1 1 65 65 THR N N 15 116.474 0.20 . 1 . . . . . . . . 6771 1 776 . 1 1 66 66 ALA H H 1 8.192 0.03 . 1 . . . . . . . . 6771 1 777 . 1 1 66 66 ALA HA H 1 4.240 0.03 . 1 . . . . . . . . 6771 1 778 . 1 1 66 66 ALA HB1 H 1 1.480 0.03 . 1 . . . . . . . . 6771 1 779 . 1 1 66 66 ALA HB2 H 1 1.480 0.03 . 1 . . . . . . . . 6771 1 780 . 1 1 66 66 ALA HB3 H 1 1.480 0.03 . 1 . . . . . . . . 6771 1 781 . 1 1 66 66 ALA CA C 13 54.128 0.20 . 1 . . . . . . . . 6771 1 782 . 1 1 66 66 ALA CB C 13 20.216 0.20 . 1 . . . . . . . . 6771 1 783 . 1 1 66 66 ALA N N 15 131.783 0.20 . 1 . . . . . . . . 6771 1 stop_ save_