data_19511 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19511 _Entry.Title ; NMR Structure of the homeodomain transcription factor Gbx1 from Homo sapiens solved in the presence of the DNA sequence CGACTAATTAGTCG ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-20 _Entry.Accession_date 2013-09-20 _Entry.Last_release_date 2016-10-20 _Entry.Original_release_date 2016-10-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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.ORCID _Entry_author.Entry_ID 1 Andrew Proudfoot . . . . 19511 2 Pedro Serrano . . . . 19511 3 Michael Geralt . . . . 19511 4 Kurt Wuthrich . . . . 19511 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 PSI:Biology 'Joint Center for Structural Genomics' . 19511 2 'Partnership for Stem Cell Biology' 'Partnership for Stem Cell Biology' . 19511 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding' . 19511 Homeodomain . 19511 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19511 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 248 19511 '15N chemical shifts' 75 19511 '1H chemical shifts' 493 19511 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 3 . . 2016-10-20 2013-09-19 update author 'update entry citation' 19511 2 . . 2013-10-07 2013-09-19 update author 'update entry citation' 19511 1 . . 2013-09-30 2013-09-19 original author 'original release' 19511 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19511 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27396829 _Citation.Full_citation . _Citation.Title ; Dynamic Local Polymorphisms in the Gbx1 Homeodomain Induced by DNA Binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 8 _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 1372 _Citation.Page_last 1379 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andrew Proudfoot . K. . . 19511 1 2 Michael Geralt . . . . 19511 1 3 Marc-Andre Elsliger . . . . 19511 1 4 Ian Wilson . A. . . 19511 1 5 Kurt Wuthrich . . . . 19511 1 6 Pedro Serrano . . . . 19511 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19511 _Assembly.ID 1 _Assembly.Name 'homeodomain transcription factor Gbx1' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 'homeodomain transcription factor Gbx1' 1 $Gbx1 A . yes native no no . . . 19511 1 2 DNA_1 2 $DNA_1 B . no native no no . . . 19511 1 3 DNA_2 3 $DNA_2 C . no native no no . . . 19511 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Gbx1 _Entity.Sf_category entity _Entity.Sf_framecode Gbx1 _Entity.Entry_ID 19511 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Gbx1 _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 ; SAPGGKSRRRRTAFTSEQLL ELEKEFHCKKYLSLTERSQI AHALKLSEVQVKIWFQNRRA KWKRIKAGNVS ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8346.782 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 SER . 19511 1 2 2 ALA . 19511 1 3 3 PRO . 19511 1 4 4 GLY . 19511 1 5 5 GLY . 19511 1 6 6 LYS . 19511 1 7 7 SER . 19511 1 8 8 ARG . 19511 1 9 9 ARG . 19511 1 10 10 ARG . 19511 1 11 11 ARG . 19511 1 12 12 THR . 19511 1 13 13 ALA . 19511 1 14 14 PHE . 19511 1 15 15 THR . 19511 1 16 16 SER . 19511 1 17 17 GLU . 19511 1 18 18 GLN . 19511 1 19 19 LEU . 19511 1 20 20 LEU . 19511 1 21 21 GLU . 19511 1 22 22 LEU . 19511 1 23 23 GLU . 19511 1 24 24 LYS . 19511 1 25 25 GLU . 19511 1 26 26 PHE . 19511 1 27 27 HIS . 19511 1 28 28 CYS . 19511 1 29 29 LYS . 19511 1 30 30 LYS . 19511 1 31 31 TYR . 19511 1 32 32 LEU . 19511 1 33 33 SER . 19511 1 34 34 LEU . 19511 1 35 35 THR . 19511 1 36 36 GLU . 19511 1 37 37 ARG . 19511 1 38 38 SER . 19511 1 39 39 GLN . 19511 1 40 40 ILE . 19511 1 41 41 ALA . 19511 1 42 42 HIS . 19511 1 43 43 ALA . 19511 1 44 44 LEU . 19511 1 45 45 LYS . 19511 1 46 46 LEU . 19511 1 47 47 SER . 19511 1 48 48 GLU . 19511 1 49 49 VAL . 19511 1 50 50 GLN . 19511 1 51 51 VAL . 19511 1 52 52 LYS . 19511 1 53 53 ILE . 19511 1 54 54 TRP . 19511 1 55 55 PHE . 19511 1 56 56 GLN . 19511 1 57 57 ASN . 19511 1 58 58 ARG . 19511 1 59 59 ARG . 19511 1 60 60 ALA . 19511 1 61 61 LYS . 19511 1 62 62 TRP . 19511 1 63 63 LYS . 19511 1 64 64 ARG . 19511 1 65 65 ILE . 19511 1 66 66 LYS . 19511 1 67 67 ALA . 19511 1 68 68 GLY . 19511 1 69 69 ASN . 19511 1 70 70 VAL . 19511 1 71 71 SER . 19511 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 . SER 1 1 19511 1 . ALA 2 2 19511 1 . PRO 3 3 19511 1 . GLY 4 4 19511 1 . GLY 5 5 19511 1 . LYS 6 6 19511 1 . SER 7 7 19511 1 . ARG 8 8 19511 1 . ARG 9 9 19511 1 . ARG 10 10 19511 1 . ARG 11 11 19511 1 . THR 12 12 19511 1 . ALA 13 13 19511 1 . PHE 14 14 19511 1 . THR 15 15 19511 1 . SER 16 16 19511 1 . GLU 17 17 19511 1 . GLN 18 18 19511 1 . LEU 19 19 19511 1 . LEU 20 20 19511 1 . GLU 21 21 19511 1 . LEU 22 22 19511 1 . GLU 23 23 19511 1 . LYS 24 24 19511 1 . GLU 25 25 19511 1 . PHE 26 26 19511 1 . HIS 27 27 19511 1 . CYS 28 28 19511 1 . LYS 29 29 19511 1 . LYS 30 30 19511 1 . TYR 31 31 19511 1 . LEU 32 32 19511 1 . SER 33 33 19511 1 . LEU 34 34 19511 1 . THR 35 35 19511 1 . GLU 36 36 19511 1 . ARG 37 37 19511 1 . SER 38 38 19511 1 . GLN 39 39 19511 1 . ILE 40 40 19511 1 . ALA 41 41 19511 1 . HIS 42 42 19511 1 . ALA 43 43 19511 1 . LEU 44 44 19511 1 . LYS 45 45 19511 1 . LEU 46 46 19511 1 . SER 47 47 19511 1 . GLU 48 48 19511 1 . VAL 49 49 19511 1 . GLN 50 50 19511 1 . VAL 51 51 19511 1 . LYS 52 52 19511 1 . ILE 53 53 19511 1 . TRP 54 54 19511 1 . PHE 55 55 19511 1 . GLN 56 56 19511 1 . ASN 57 57 19511 1 . ARG 58 58 19511 1 . ARG 59 59 19511 1 . ALA 60 60 19511 1 . LYS 61 61 19511 1 . TRP 62 62 19511 1 . LYS 63 63 19511 1 . ARG 64 64 19511 1 . ILE 65 65 19511 1 . LYS 66 66 19511 1 . ALA 67 67 19511 1 . GLY 68 68 19511 1 . ASN 69 69 19511 1 . VAL 70 70 19511 1 . SER 71 71 19511 1 stop_ save_ save_DNA_1 _Entity.Sf_category entity _Entity.Sf_framecode DNA_1 _Entity.Entry_ID 19511 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGACTAATTAGTCG ; _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 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . DC . 19511 2 2 . DG . 19511 2 3 . DA . 19511 2 4 . DC . 19511 2 5 . DT . 19511 2 6 . DA . 19511 2 7 . DA . 19511 2 8 . DT . 19511 2 9 . DT . 19511 2 10 . DA . 19511 2 11 . DG . 19511 2 12 . DT . 19511 2 13 . DC . 19511 2 14 . DG . 19511 2 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 . DC 1 1 19511 2 . DG 2 2 19511 2 . DA 3 3 19511 2 . DC 4 4 19511 2 . DT 5 5 19511 2 . DA 6 6 19511 2 . DA 7 7 19511 2 . DT 8 8 19511 2 . DT 9 9 19511 2 . DA 10 10 19511 2 . DG 11 11 19511 2 . DT 12 12 19511 2 . DC 13 13 19511 2 . DG 14 14 19511 2 stop_ save_ save_DNA_2 _Entity.Sf_category entity _Entity.Sf_framecode DNA_2 _Entity.Entry_ID 19511 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name DNA_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGACTAATTAGTCG ; _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 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . DC . 19511 3 2 . DG . 19511 3 3 . DA . 19511 3 4 . DC . 19511 3 5 . DT . 19511 3 6 . DA . 19511 3 7 . DA . 19511 3 8 . DT . 19511 3 9 . DT . 19511 3 10 . DA . 19511 3 11 . DG . 19511 3 12 . DT . 19511 3 13 . DC . 19511 3 14 . DG . 19511 3 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 . DC 1 1 19511 3 . DG 2 2 19511 3 . DA 3 3 19511 3 . DC 4 4 19511 3 . DT 5 5 19511 3 . DA 6 6 19511 3 . DA 7 7 19511 3 . DT 8 8 19511 3 . DT 9 9 19511 3 . DA 10 10 19511 3 . DG 11 11 19511 3 . DT 12 12 19511 3 . DC 13 13 19511 3 . DG 14 14 19511 3 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 19511 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Gbx1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19511 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 19511 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Gbx1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PET46 . . . 19511 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19511 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The DNA sequence used is double stranded CGACTAATTAGTCG' _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 Gbx1 '[U-98% 13C; U-98% 15N]' . . 1 $Gbx1 . . 0.8 . . mM . . . . 19511 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19511 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19511 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19511 1 5 DNA_1 'natural abundance' . . 2 $DNA_1 . . 0.8 . . mM . . . . 19511 1 6 DNA_2 'natural abundance' . . 3 $DNA_2 . . 0.8 . . mM . . . . 19511 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19511 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19511 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19511 _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' 0.220 . M 19511 1 pH 6.5 . pH 19511 1 pressure 1 . atm 19511 1 temperature 298 . K 19511 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19511 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 19511 1 'Keller and Wuthrich' . . 19511 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19511 1 refinement 19511 1 stop_ save_ save_Opalp _Software.Sf_category software _Software.Sf_framecode Opalp _Software.Entry_ID 19511 _Software.ID 2 _Software.Name Opalp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 19511 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19511 2 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 19511 _Software.ID 3 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 19511 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19511 3 'structure solution' 19511 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19511 _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' . . 19511 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19511 4 processing 19511 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19511 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19511 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19511 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19511 1 2 spectrometer_2 Bruker Avance . 800 . . . 19511 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 19511 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19511 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19511 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19511 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19511 1 5 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19511 1 6 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19511 1 7 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19511 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19511 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 19511 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19511 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19511 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 19511 _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' . . . 19511 1 2 '3D 1H-13C NOESY aliphatic' . . . 19511 1 3 '3D 1H-13C NOESY aromatic' . . . 19511 1 4 '3D 1H-15N NOESY' . . . 19511 1 5 'APSY 4D-HACANH' . . . 19511 1 6 'APSY 5D-CBCACONH' . . . 19511 1 7 'APSY 5D-HACACONH' . . . 19511 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 3 3 PRO HA H 1 4.499 0.023 . 1 . . . A 3 PRO HA . 19511 1 2 . 1 1 3 3 PRO HB2 H 1 2.357 0.023 . 2 . . . A 3 PRO QB . 19511 1 3 . 1 1 3 3 PRO HB3 H 1 2.357 0.023 . 2 . . . A 3 PRO QB . 19511 1 4 . 1 1 3 3 PRO HG2 H 1 2.068 0.023 . 2 . . . A 3 PRO HG2 . 19511 1 5 . 1 1 3 3 PRO HG3 H 1 2.117 0.023 . 2 . . . A 3 PRO HG3 . 19511 1 6 . 1 1 3 3 PRO HD2 H 1 3.869 0.023 . 2 . . . A 3 PRO HD2 . 19511 1 7 . 1 1 3 3 PRO HD3 H 1 3.711 0.023 . 2 . . . A 3 PRO HD3 . 19511 1 8 . 1 1 3 3 PRO CA C 13 61.077 0.141 . 1 . . . A 3 PRO CA . 19511 1 9 . 1 1 3 3 PRO CB C 13 29.635 0.141 . 1 . . . A 3 PRO CB . 19511 1 10 . 1 1 3 3 PRO CG C 13 25.051 0.141 . 1 . . . A 3 PRO CG . 19511 1 11 . 1 1 3 3 PRO CD C 13 47.932 0.141 . 1 . . . A 3 PRO CD . 19511 1 12 . 1 1 4 4 GLY H H 1 8.521 0.023 . 1 . . . A 4 GLY H . 19511 1 13 . 1 1 4 4 GLY HA2 H 1 4.030 0.023 . 2 . . . A 4 GLY HA2 . 19511 1 14 . 1 1 4 4 GLY CA C 13 42.963 0.141 . 1 . . . A 4 GLY CA . 19511 1 15 . 1 1 4 4 GLY N N 15 109.482 0.102 . 1 . . . A 4 GLY N . 19511 1 16 . 1 1 5 5 GLY H H 1 8.245 0.023 . 1 . . . A 5 GLY H . 19511 1 17 . 1 1 5 5 GLY HA2 H 1 4.016 0.023 . 2 . . . A 5 GLY QA . 19511 1 18 . 1 1 5 5 GLY HA3 H 1 4.016 0.023 . 2 . . . A 5 GLY QA . 19511 1 19 . 1 1 5 5 GLY CA C 13 42.869 0.141 . 1 . . . A 5 GLY CA . 19511 1 20 . 1 1 5 5 GLY N N 15 108.605 0.102 . 1 . . . A 5 GLY N . 19511 1 21 . 1 1 6 6 LYS H H 1 8.201 0.023 . 1 . . . A 6 LYS H . 19511 1 22 . 1 1 6 6 LYS HA H 1 4.454 0.023 . 1 . . . A 6 LYS HA . 19511 1 23 . 1 1 6 6 LYS HB2 H 1 1.798 0.023 . 2 . . . A 6 LYS HB2 . 19511 1 24 . 1 1 6 6 LYS HB3 H 1 1.893 0.023 . 2 . . . A 6 LYS HB3 . 19511 1 25 . 1 1 6 6 LYS HG2 H 1 1.482 0.023 . 2 . . . A 6 LYS QG . 19511 1 26 . 1 1 6 6 LYS HG3 H 1 1.482 0.023 . 2 . . . A 6 LYS QG . 19511 1 27 . 1 1 6 6 LYS CA C 13 53.594 0.141 . 1 . . . A 6 LYS CA . 19511 1 28 . 1 1 6 6 LYS CB C 13 31.034 0.141 . 1 . . . A 6 LYS CB . 19511 1 29 . 1 1 6 6 LYS CG C 13 22.261 0.141 . 1 . . . A 6 LYS CG . 19511 1 30 . 1 1 6 6 LYS CE C 13 39.904 0.141 . 1 . . . A 6 LYS CE . 19511 1 31 . 1 1 6 6 LYS N N 15 120.900 0.102 . 1 . . . A 6 LYS N . 19511 1 32 . 1 1 7 7 SER H H 1 8.425 0.023 . 1 . . . A 7 SER H . 19511 1 33 . 1 1 7 7 SER HA H 1 4.533 0.023 . 1 . . . A 7 SER HA . 19511 1 34 . 1 1 7 7 SER HB2 H 1 3.891 0.023 . 2 . . . A 7 SER QB . 19511 1 35 . 1 1 7 7 SER HB3 H 1 3.891 0.023 . 2 . . . A 7 SER QB . 19511 1 36 . 1 1 7 7 SER CA C 13 55.637 0.141 . 1 . . . A 7 SER CA . 19511 1 37 . 1 1 7 7 SER CB C 13 61.343 0.141 . 1 . . . A 7 SER CB . 19511 1 38 . 1 1 7 7 SER N N 15 118.055 0.102 . 1 . . . A 7 SER N . 19511 1 39 . 1 1 8 8 ARG HA H 1 4.547 0.023 . 1 . . . A 8 ARG HA . 19511 1 40 . 1 1 8 8 ARG HB2 H 1 1.903 0.023 . 2 . . . A 8 ARG HB2 . 19511 1 41 . 1 1 8 8 ARG HB3 H 1 1.856 0.023 . 2 . . . A 8 ARG HB3 . 19511 1 42 . 1 1 8 8 ARG HG2 H 1 1.769 0.023 . 2 . . . A 8 ARG QG . 19511 1 43 . 1 1 8 8 ARG HG3 H 1 1.769 0.023 . 2 . . . A 8 ARG QG . 19511 1 44 . 1 1 8 8 ARG HD2 H 1 3.327 0.023 . 2 . . . A 8 ARG QD . 19511 1 45 . 1 1 8 8 ARG HD3 H 1 3.327 0.023 . 2 . . . A 8 ARG QD . 19511 1 46 . 1 1 8 8 ARG CA C 13 53.146 0.141 . 1 . . . A 8 ARG CA . 19511 1 47 . 1 1 8 8 ARG CB C 13 29.317 0.141 . 1 . . . A 8 ARG CB . 19511 1 48 . 1 1 8 8 ARG CG C 13 24.889 0.141 . 1 . . . A 8 ARG CG . 19511 1 49 . 1 1 8 8 ARG CD C 13 41.306 0.141 . 1 . . . A 8 ARG CD . 19511 1 50 . 1 1 9 9 ARG H H 1 9.037 0.023 . 1 . . . A 9 ARG H . 19511 1 51 . 1 1 9 9 ARG HA H 1 4.321 0.023 . 1 . . . A 9 ARG HA . 19511 1 52 . 1 1 9 9 ARG HB2 H 1 1.939 0.023 . 2 . . . A 9 ARG HB2 . 19511 1 53 . 1 1 9 9 ARG HB3 H 1 1.803 0.023 . 2 . . . A 9 ARG HB3 . 19511 1 54 . 1 1 9 9 ARG HG2 H 1 1.819 0.023 . 2 . . . A 9 ARG HG2 . 19511 1 55 . 1 1 9 9 ARG HG3 H 1 1.857 0.023 . 2 . . . A 9 ARG HG3 . 19511 1 56 . 1 1 9 9 ARG HD2 H 1 3.351 0.023 . 2 . . . A 9 ARG QD . 19511 1 57 . 1 1 9 9 ARG HD3 H 1 3.351 0.023 . 2 . . . A 9 ARG QD . 19511 1 58 . 1 1 9 9 ARG CA C 13 54.049 0.141 . 1 . . . A 9 ARG CA . 19511 1 59 . 1 1 9 9 ARG CB C 13 28.705 0.141 . 1 . . . A 9 ARG CB . 19511 1 60 . 1 1 9 9 ARG CG C 13 24.973 0.141 . 1 . . . A 9 ARG CG . 19511 1 61 . 1 1 9 9 ARG CD C 13 41.931 0.141 . 1 . . . A 9 ARG CD . 19511 1 62 . 1 1 9 9 ARG N N 15 124.954 0.102 . 1 . . . A 9 ARG N . 19511 1 63 . 1 1 10 10 ARG H H 1 8.350 0.023 . 1 . . . A 10 ARG H . 19511 1 64 . 1 1 10 10 ARG HA H 1 4.322 0.023 . 1 . . . A 10 ARG HA . 19511 1 65 . 1 1 10 10 ARG HB2 H 1 1.789 0.023 . 2 . . . A 10 ARG HB2 . 19511 1 66 . 1 1 10 10 ARG HB3 H 1 1.832 0.023 . 2 . . . A 10 ARG HB3 . 19511 1 67 . 1 1 10 10 ARG HG2 H 1 1.751 0.023 . 2 . . . A 10 ARG HG2 . 19511 1 68 . 1 1 10 10 ARG HG3 H 1 1.668 0.023 . 2 . . . A 10 ARG HG3 . 19511 1 69 . 1 1 10 10 ARG HD2 H 1 3.257 0.023 . 2 . . . A 10 ARG QD . 19511 1 70 . 1 1 10 10 ARG HD3 H 1 3.257 0.023 . 2 . . . A 10 ARG QD . 19511 1 71 . 1 1 10 10 ARG CA C 13 53.971 0.141 . 1 . . . A 10 ARG CA . 19511 1 72 . 1 1 10 10 ARG CB C 13 28.386 0.141 . 1 . . . A 10 ARG CB . 19511 1 73 . 1 1 10 10 ARG CG C 13 24.682 0.141 . 1 . . . A 10 ARG CG . 19511 1 74 . 1 1 10 10 ARG CD C 13 40.831 0.141 . 1 . . . A 10 ARG CD . 19511 1 75 . 1 1 10 10 ARG N N 15 122.493 0.102 . 1 . . . A 10 ARG N . 19511 1 76 . 1 1 11 11 ARG H H 1 8.508 0.023 . 1 . . . A 11 ARG H . 19511 1 77 . 1 1 11 11 ARG HA H 1 4.312 0.023 . 1 . . . A 11 ARG HA . 19511 1 78 . 1 1 11 11 ARG HB2 H 1 1.654 0.023 . 2 . . . A 11 ARG HB2 . 19511 1 79 . 1 1 11 11 ARG HB3 H 1 1.747 0.023 . 2 . . . A 11 ARG HB3 . 19511 1 80 . 1 1 11 11 ARG HG2 H 1 1.824 0.023 . 2 . . . A 11 ARG QG . 19511 1 81 . 1 1 11 11 ARG HG3 H 1 1.824 0.023 . 2 . . . A 11 ARG QG . 19511 1 82 . 1 1 11 11 ARG CA C 13 53.146 0.141 . 1 . . . A 11 ARG CA . 19511 1 83 . 1 1 11 11 ARG CB C 13 30.162 0.141 . 1 . . . A 11 ARG CB . 19511 1 84 . 1 1 11 11 ARG CG C 13 28.729 0.141 . 1 . . . A 11 ARG CG . 19511 1 85 . 1 1 11 11 ARG N N 15 123.361 0.102 . 1 . . . A 11 ARG N . 19511 1 86 . 1 1 12 12 THR H H 1 8.068 0.023 . 1 . . . A 12 THR H . 19511 1 87 . 1 1 12 12 THR HA H 1 3.790 0.023 . 1 . . . A 12 THR HA . 19511 1 88 . 1 1 12 12 THR HB H 1 3.653 0.023 . 1 . . . A 12 THR HB . 19511 1 89 . 1 1 12 12 THR HG21 H 1 0.347 0.023 . 1 . . . A 12 THR QG2 . 19511 1 90 . 1 1 12 12 THR HG22 H 1 0.347 0.023 . 1 . . . A 12 THR QG2 . 19511 1 91 . 1 1 12 12 THR HG23 H 1 0.347 0.023 . 1 . . . A 12 THR QG2 . 19511 1 92 . 1 1 12 12 THR CA C 13 62.948 0.141 . 1 . . . A 12 THR CA . 19511 1 93 . 1 1 12 12 THR CB C 13 66.854 0.141 . 1 . . . A 12 THR CB . 19511 1 94 . 1 1 12 12 THR CG2 C 13 17.614 0.141 . 1 . . . A 12 THR CG2 . 19511 1 95 . 1 1 12 12 THR N N 15 126.287 0.102 . 1 . . . A 12 THR N . 19511 1 96 . 1 1 13 13 ALA H H 1 8.317 0.023 . 1 . . . A 13 ALA H . 19511 1 97 . 1 1 13 13 ALA HA H 1 4.664 0.023 . 1 . . . A 13 ALA HA . 19511 1 98 . 1 1 13 13 ALA HB1 H 1 1.331 0.023 . 1 . . . A 13 ALA QB . 19511 1 99 . 1 1 13 13 ALA HB2 H 1 1.331 0.023 . 1 . . . A 13 ALA QB . 19511 1 100 . 1 1 13 13 ALA HB3 H 1 1.331 0.023 . 1 . . . A 13 ALA QB . 19511 1 101 . 1 1 13 13 ALA CA C 13 47.602 0.141 . 1 . . . A 13 ALA CA . 19511 1 102 . 1 1 13 13 ALA CB C 13 16.412 0.141 . 1 . . . A 13 ALA CB . 19511 1 103 . 1 1 13 13 ALA N N 15 129.745 0.102 . 1 . . . A 13 ALA N . 19511 1 104 . 1 1 14 14 PHE H H 1 8.594 0.023 . 1 . . . A 14 PHE H . 19511 1 105 . 1 1 14 14 PHE HA H 1 4.708 0.023 . 1 . . . A 14 PHE HA . 19511 1 106 . 1 1 14 14 PHE HB2 H 1 3.191 0.023 . 2 . . . A 14 PHE HB2 . 19511 1 107 . 1 1 14 14 PHE HB3 H 1 2.824 0.023 . 2 . . . A 14 PHE HB3 . 19511 1 108 . 1 1 14 14 PHE HD1 H 1 7.374 0.023 . 3 . . . A 14 PHE HD1 . 19511 1 109 . 1 1 14 14 PHE HD2 H 1 7.502 0.023 . 3 . . . A 14 PHE HD2 . 19511 1 110 . 1 1 14 14 PHE HE1 H 1 7.742 0.023 . 3 . . . A 14 PHE QE . 19511 1 111 . 1 1 14 14 PHE HE2 H 1 7.742 0.023 . 3 . . . A 14 PHE QE . 19511 1 112 . 1 1 14 14 PHE CA C 13 56.288 0.141 . 1 . . . A 14 PHE CA . 19511 1 113 . 1 1 14 14 PHE CB C 13 38.229 0.141 . 1 . . . A 14 PHE CB . 19511 1 114 . 1 1 14 14 PHE CD1 C 13 129.024 0.141 . 3 . . . A 14 PHE CD1 . 19511 1 115 . 1 1 14 14 PHE CD2 C 13 129.118 0.141 . 3 . . . A 14 PHE CD2 . 19511 1 116 . 1 1 14 14 PHE CE1 C 13 127.230 0.141 . 3 . . . A 14 PHE CE1 . 19511 1 117 . 1 1 14 14 PHE CE2 C 13 127.226 0.141 . 3 . . . A 14 PHE CE2 . 19511 1 118 . 1 1 14 14 PHE N N 15 124.589 0.102 . 1 . . . A 14 PHE N . 19511 1 119 . 1 1 15 15 THR H H 1 9.053 0.023 . 1 . . . A 15 THR H . 19511 1 120 . 1 1 15 15 THR HA H 1 4.575 0.023 . 1 . . . A 15 THR HA . 19511 1 121 . 1 1 15 15 THR HB H 1 4.867 0.023 . 1 . . . A 15 THR HB . 19511 1 122 . 1 1 15 15 THR HG21 H 1 1.394 0.023 . 1 . . . A 15 THR QG2 . 19511 1 123 . 1 1 15 15 THR HG22 H 1 1.394 0.023 . 1 . . . A 15 THR QG2 . 19511 1 124 . 1 1 15 15 THR HG23 H 1 1.394 0.023 . 1 . . . A 15 THR QG2 . 19511 1 125 . 1 1 15 15 THR CA C 13 58.027 0.141 . 1 . . . A 15 THR CA . 19511 1 126 . 1 1 15 15 THR CB C 13 68.256 0.141 . 1 . . . A 15 THR CB . 19511 1 127 . 1 1 15 15 THR CG2 C 13 19.501 0.141 . 1 . . . A 15 THR CG2 . 19511 1 128 . 1 1 15 15 THR N N 15 113.746 0.102 . 1 . . . A 15 THR N . 19511 1 129 . 1 1 16 16 SER H H 1 9.092 0.023 . 1 . . . A 16 SER H . 19511 1 130 . 1 1 16 16 SER HA H 1 4.713 0.023 . 1 . . . A 16 SER HA . 19511 1 131 . 1 1 16 16 SER HB2 H 1 3.985 0.023 . 2 . . . A 16 SER HB2 . 19511 1 132 . 1 1 16 16 SER HB3 H 1 4.189 0.023 . 2 . . . A 16 SER HB3 . 19511 1 133 . 1 1 16 16 SER CA C 13 59.750 0.141 . 1 . . . A 16 SER CA . 19511 1 134 . 1 1 16 16 SER CB C 13 59.639 0.141 . 1 . . . A 16 SER CB . 19511 1 135 . 1 1 16 16 SER N N 15 116.624 0.102 . 1 . . . A 16 SER N . 19511 1 136 . 1 1 17 17 GLU H H 1 8.560 0.023 . 1 . . . A 17 GLU H . 19511 1 137 . 1 1 17 17 GLU HA H 1 4.081 0.023 . 1 . . . A 17 GLU HA . 19511 1 138 . 1 1 17 17 GLU HB2 H 1 2.016 0.023 . 2 . . . A 17 GLU HB2 . 19511 1 139 . 1 1 17 17 GLU HB3 H 1 2.114 0.023 . 2 . . . A 17 GLU HB3 . 19511 1 140 . 1 1 17 17 GLU HG2 H 1 2.361 0.023 . 2 . . . A 17 GLU QG . 19511 1 141 . 1 1 17 17 GLU HG3 H 1 2.361 0.023 . 2 . . . A 17 GLU QG . 19511 1 142 . 1 1 17 17 GLU CA C 13 57.565 0.141 . 1 . . . A 17 GLU CA . 19511 1 143 . 1 1 17 17 GLU CB C 13 26.998 0.141 . 1 . . . A 17 GLU CB . 19511 1 144 . 1 1 17 17 GLU CG C 13 34.435 0.141 . 1 . . . A 17 GLU CG . 19511 1 145 . 1 1 17 17 GLU N N 15 120.287 0.102 . 1 . . . A 17 GLU N . 19511 1 146 . 1 1 18 18 GLN H H 1 7.769 0.023 . 1 . . . A 18 GLN H . 19511 1 147 . 1 1 18 18 GLN HA H 1 3.898 0.023 . 1 . . . A 18 GLN HA . 19511 1 148 . 1 1 18 18 GLN HB2 H 1 2.779 0.023 . 2 . . . A 18 GLN HB2 . 19511 1 149 . 1 1 18 18 GLN HB3 H 1 2.469 0.023 . 2 . . . A 18 GLN HB3 . 19511 1 150 . 1 1 18 18 GLN HE21 H 1 7.722 0.023 . 2 . . . A 18 GLN HE21 . 19511 1 151 . 1 1 18 18 GLN HE22 H 1 6.705 0.023 . 2 . . . A 18 GLN HE22 . 19511 1 152 . 1 1 18 18 GLN CA C 13 56.609 0.141 . 1 . . . A 18 GLN CA . 19511 1 153 . 1 1 18 18 GLN CB C 13 32.647 0.141 . 1 . . . A 18 GLN CB . 19511 1 154 . 1 1 18 18 GLN N N 15 118.169 0.102 . 1 . . . A 18 GLN N . 19511 1 155 . 1 1 18 18 GLN NE2 N 15 110.557 0.102 . 1 . . . A 18 GLN NE2 . 19511 1 156 . 1 1 19 19 LEU H H 1 8.227 0.023 . 1 . . . A 19 LEU H . 19511 1 157 . 1 1 19 19 LEU HA H 1 3.655 0.023 . 1 . . . A 19 LEU HA . 19511 1 158 . 1 1 19 19 LEU HB2 H 1 1.824 0.023 . 2 . . . A 19 LEU HB2 . 19511 1 159 . 1 1 19 19 LEU HB3 H 1 1.558 0.023 . 2 . . . A 19 LEU HB3 . 19511 1 160 . 1 1 19 19 LEU HD11 H 1 0.987 0.023 . 1 . . . A 19 LEU QD1 . 19511 1 161 . 1 1 19 19 LEU HD12 H 1 0.987 0.023 . 1 . . . A 19 LEU QD1 . 19511 1 162 . 1 1 19 19 LEU HD13 H 1 0.987 0.023 . 1 . . . A 19 LEU QD1 . 19511 1 163 . 1 1 19 19 LEU HD21 H 1 0.830 0.023 . 1 . . . A 19 LEU QD2 . 19511 1 164 . 1 1 19 19 LEU HD22 H 1 0.830 0.023 . 1 . . . A 19 LEU QD2 . 19511 1 165 . 1 1 19 19 LEU HD23 H 1 0.830 0.023 . 1 . . . A 19 LEU QD2 . 19511 1 166 . 1 1 19 19 LEU CA C 13 55.390 0.141 . 1 . . . A 19 LEU CA . 19511 1 167 . 1 1 19 19 LEU CB C 13 39.414 0.141 . 1 . . . A 19 LEU CB . 19511 1 168 . 1 1 19 19 LEU CG C 13 24.555 0.141 . 1 . . . A 19 LEU CG . 19511 1 169 . 1 1 19 19 LEU CD1 C 13 23.024 0.141 . 2 . . . A 19 LEU CD1 . 19511 1 170 . 1 1 19 19 LEU CD2 C 13 21.055 0.141 . 2 . . . A 19 LEU CD2 . 19511 1 171 . 1 1 19 19 LEU N N 15 116.929 0.102 . 1 . . . A 19 LEU N . 19511 1 172 . 1 1 20 20 LEU H H 1 8.037 0.023 . 1 . . . A 20 LEU H . 19511 1 173 . 1 1 20 20 LEU HA H 1 4.034 0.023 . 1 . . . A 20 LEU HA . 19511 1 174 . 1 1 20 20 LEU HB2 H 1 1.675 0.023 . 2 . . . A 20 LEU HB2 . 19511 1 175 . 1 1 20 20 LEU HB3 H 1 1.867 0.023 . 2 . . . A 20 LEU HB3 . 19511 1 176 . 1 1 20 20 LEU HG H 1 1.765 0.023 . 1 . . . A 20 LEU HG . 19511 1 177 . 1 1 20 20 LEU HD11 H 1 0.928 0.023 . 1 . . . A 20 LEU QQD . 19511 1 178 . 1 1 20 20 LEU HD12 H 1 0.928 0.023 . 1 . . . A 20 LEU QQD . 19511 1 179 . 1 1 20 20 LEU HD13 H 1 0.928 0.023 . 1 . . . A 20 LEU QQD . 19511 1 180 . 1 1 20 20 LEU HD21 H 1 0.928 0.023 . 1 . . . A 20 LEU QQD . 19511 1 181 . 1 1 20 20 LEU HD22 H 1 0.928 0.023 . 1 . . . A 20 LEU QQD . 19511 1 182 . 1 1 20 20 LEU HD23 H 1 0.928 0.023 . 1 . . . A 20 LEU QQD . 19511 1 183 . 1 1 20 20 LEU CA C 13 55.765 0.141 . 1 . . . A 20 LEU CA . 19511 1 184 . 1 1 20 20 LEU CB C 13 39.758 0.141 . 1 . . . A 20 LEU CB . 19511 1 185 . 1 1 20 20 LEU CG C 13 24.770 0.141 . 1 . . . A 20 LEU CG . 19511 1 186 . 1 1 20 20 LEU CD1 C 13 22.030 0.141 . 2 . . . A 20 LEU CD1 . 19511 1 187 . 1 1 20 20 LEU CD2 C 13 22.030 0.141 . 2 . . . A 20 LEU CD2 . 19511 1 188 . 1 1 20 20 LEU N N 15 118.864 0.102 . 1 . . . A 20 LEU N . 19511 1 189 . 1 1 21 21 GLU H H 1 7.491 0.023 . 1 . . . A 21 GLU H . 19511 1 190 . 1 1 21 21 GLU HA H 1 4.159 0.023 . 1 . . . A 21 GLU HA . 19511 1 191 . 1 1 21 21 GLU HB2 H 1 2.131 0.023 . 2 . . . A 21 GLU HB2 . 19511 1 192 . 1 1 21 21 GLU HB3 H 1 2.033 0.023 . 2 . . . A 21 GLU HB3 . 19511 1 193 . 1 1 21 21 GLU HG2 H 1 2.477 0.023 . 2 . . . A 21 GLU HG2 . 19511 1 194 . 1 1 21 21 GLU HG3 H 1 2.335 0.023 . 2 . . . A 21 GLU HG3 . 19511 1 195 . 1 1 21 21 GLU CA C 13 56.062 0.141 . 1 . . . A 21 GLU CA . 19511 1 196 . 1 1 21 21 GLU CB C 13 27.576 0.141 . 1 . . . A 21 GLU CB . 19511 1 197 . 1 1 21 21 GLU CG C 13 32.740 0.141 . 1 . . . A 21 GLU CG . 19511 1 198 . 1 1 21 21 GLU N N 15 118.147 0.102 . 1 . . . A 21 GLU N . 19511 1 199 . 1 1 22 22 LEU H H 1 8.254 0.023 . 1 . . . A 22 LEU H . 19511 1 200 . 1 1 22 22 LEU HA H 1 3.534 0.023 . 1 . . . A 22 LEU HA . 19511 1 201 . 1 1 22 22 LEU HB2 H 1 -1.017 0.023 . 2 . . . A 22 LEU HB2 . 19511 1 202 . 1 1 22 22 LEU HB3 H 1 0.542 0.023 . 2 . . . A 22 LEU HB3 . 19511 1 203 . 1 1 22 22 LEU HD11 H 1 0.421 0.023 . 1 . . . A 22 LEU QD1 . 19511 1 204 . 1 1 22 22 LEU HD12 H 1 0.421 0.023 . 1 . . . A 22 LEU QD1 . 19511 1 205 . 1 1 22 22 LEU HD13 H 1 0.421 0.023 . 1 . . . A 22 LEU QD1 . 19511 1 206 . 1 1 22 22 LEU HD21 H 1 -0.783 0.023 . 1 . . . A 22 LEU QD2 . 19511 1 207 . 1 1 22 22 LEU HD22 H 1 -0.783 0.023 . 1 . . . A 22 LEU QD2 . 19511 1 208 . 1 1 22 22 LEU HD23 H 1 -0.783 0.023 . 1 . . . A 22 LEU QD2 . 19511 1 209 . 1 1 22 22 LEU CA C 13 56.091 0.141 . 1 . . . A 22 LEU CA . 19511 1 210 . 1 1 22 22 LEU CB C 13 35.557 0.141 . 1 . . . A 22 LEU CB . 19511 1 211 . 1 1 22 22 LEU CG C 13 23.500 0.141 . 1 . . . A 22 LEU CG . 19511 1 212 . 1 1 22 22 LEU CD1 C 13 19.881 0.141 . 2 . . . A 22 LEU CD1 . 19511 1 213 . 1 1 22 22 LEU CD2 C 13 20.629 0.141 . 2 . . . A 22 LEU CD2 . 19511 1 214 . 1 1 22 22 LEU N N 15 122.316 0.102 . 1 . . . A 22 LEU N . 19511 1 215 . 1 1 23 23 GLU H H 1 8.084 0.023 . 1 . . . A 23 GLU H . 19511 1 216 . 1 1 23 23 GLU HA H 1 4.319 0.023 . 1 . . . A 23 GLU HA . 19511 1 217 . 1 1 23 23 GLU HB2 H 1 2.196 0.023 . 2 . . . A 23 GLU HB2 . 19511 1 218 . 1 1 23 23 GLU HB3 H 1 2.071 0.023 . 2 . . . A 23 GLU HB3 . 19511 1 219 . 1 1 23 23 GLU HG2 H 1 2.410 0.023 . 2 . . . A 23 GLU HG2 . 19511 1 220 . 1 1 23 23 GLU HG3 H 1 2.579 0.023 . 2 . . . A 23 GLU HG3 . 19511 1 221 . 1 1 23 23 GLU CA C 13 56.627 0.141 . 1 . . . A 23 GLU CA . 19511 1 222 . 1 1 23 23 GLU CB C 13 26.800 0.141 . 1 . . . A 23 GLU CB . 19511 1 223 . 1 1 23 23 GLU CG C 13 32.599 0.141 . 1 . . . A 23 GLU CG . 19511 1 224 . 1 1 23 23 GLU N N 15 117.645 0.102 . 1 . . . A 23 GLU N . 19511 1 225 . 1 1 24 24 LYS H H 1 7.884 0.023 . 1 . . . A 24 LYS H . 19511 1 226 . 1 1 24 24 LYS HA H 1 4.088 0.023 . 1 . . . A 24 LYS HA . 19511 1 227 . 1 1 24 24 LYS HG2 H 1 2.017 0.023 . 2 . . . A 24 LYS QG . 19511 1 228 . 1 1 24 24 LYS HG3 H 1 2.017 0.023 . 2 . . . A 24 LYS QG . 19511 1 229 . 1 1 24 24 LYS CA C 13 57.392 0.141 . 1 . . . A 24 LYS CA . 19511 1 230 . 1 1 24 24 LYS CG C 13 27.064 0.141 . 1 . . . A 24 LYS CG . 19511 1 231 . 1 1 24 24 LYS N N 15 120.989 0.102 . 1 . . . A 24 LYS N . 19511 1 232 . 1 1 25 25 GLU H H 1 8.179 0.023 . 1 . . . A 25 GLU H . 19511 1 233 . 1 1 25 25 GLU HA H 1 4.325 0.023 . 1 . . . A 25 GLU HA . 19511 1 234 . 1 1 25 25 GLU HB2 H 1 2.365 0.023 . 2 . . . A 25 GLU QB . 19511 1 235 . 1 1 25 25 GLU HB3 H 1 2.365 0.023 . 2 . . . A 25 GLU QB . 19511 1 236 . 1 1 25 25 GLU HG2 H 1 2.633 0.023 . 2 . . . A 25 GLU QG . 19511 1 237 . 1 1 25 25 GLU HG3 H 1 2.633 0.023 . 2 . . . A 25 GLU QG . 19511 1 238 . 1 1 25 25 GLU CA C 13 56.529 0.141 . 1 . . . A 25 GLU CA . 19511 1 239 . 1 1 25 25 GLU CB C 13 26.344 0.141 . 1 . . . A 25 GLU CB . 19511 1 240 . 1 1 25 25 GLU CG C 13 32.497 0.141 . 1 . . . A 25 GLU CG . 19511 1 241 . 1 1 25 25 GLU N N 15 119.686 0.102 . 1 . . . A 25 GLU N . 19511 1 242 . 1 1 26 26 PHE H H 1 8.896 0.023 . 1 . . . A 26 PHE H . 19511 1 243 . 1 1 26 26 PHE HA H 1 4.769 0.023 . 1 . . . A 26 PHE HA . 19511 1 244 . 1 1 26 26 PHE HB2 H 1 3.341 0.023 . 2 . . . A 26 PHE HB2 . 19511 1 245 . 1 1 26 26 PHE HB3 H 1 3.252 0.023 . 2 . . . A 26 PHE HB3 . 19511 1 246 . 1 1 26 26 PHE HD1 H 1 6.962 0.023 . 3 . . . A 26 PHE QD . 19511 1 247 . 1 1 26 26 PHE HD2 H 1 6.962 0.023 . 3 . . . A 26 PHE QD . 19511 1 248 . 1 1 26 26 PHE HE1 H 1 6.902 0.023 . 3 . . . A 26 PHE QE . 19511 1 249 . 1 1 26 26 PHE HE2 H 1 6.902 0.023 . 3 . . . A 26 PHE QE . 19511 1 250 . 1 1 26 26 PHE HZ H 1 6.534 0.023 . 1 . . . A 26 PHE HZ . 19511 1 251 . 1 1 26 26 PHE CA C 13 57.746 0.141 . 1 . . . A 26 PHE CA . 19511 1 252 . 1 1 26 26 PHE CB C 13 41.554 0.141 . 1 . . . A 26 PHE CB . 19511 1 253 . 1 1 26 26 PHE CD1 C 13 130.150 0.141 . 3 . . . A 26 PHE CD1 . 19511 1 254 . 1 1 26 26 PHE CD2 C 13 130.144 0.141 . 3 . . . A 26 PHE CD2 . 19511 1 255 . 1 1 26 26 PHE CE1 C 13 127.863 0.141 . 3 . . . A 26 PHE CE1 . 19511 1 256 . 1 1 26 26 PHE CE2 C 13 127.863 0.141 . 3 . . . A 26 PHE CE2 . 19511 1 257 . 1 1 26 26 PHE CZ C 13 126.062 0.141 . 1 . . . A 26 PHE CZ . 19511 1 258 . 1 1 26 26 PHE N N 15 121.229 0.102 . 1 . . . A 26 PHE N . 19511 1 259 . 1 1 27 27 HIS H H 1 8.110 0.023 . 1 . . . A 27 HIS H . 19511 1 260 . 1 1 27 27 HIS HA H 1 4.069 0.023 . 1 . . . A 27 HIS HA . 19511 1 261 . 1 1 27 27 HIS HB2 H 1 3.361 0.023 . 2 . . . A 27 HIS HB2 . 19511 1 262 . 1 1 27 27 HIS HB3 H 1 3.303 0.023 . 2 . . . A 27 HIS HB3 . 19511 1 263 . 1 1 27 27 HIS HD2 H 1 7.251 0.023 . 1 . . . A 27 HIS HD2 . 19511 1 264 . 1 1 27 27 HIS CA C 13 56.598 0.141 . 1 . . . A 27 HIS CA . 19511 1 265 . 1 1 27 27 HIS CB C 13 27.235 0.141 . 1 . . . A 27 HIS CB . 19511 1 266 . 1 1 27 27 HIS CD2 C 13 117.962 0.141 . 1 . . . A 27 HIS CD2 . 19511 1 267 . 1 1 27 27 HIS N N 15 115.789 0.102 . 1 . . . A 27 HIS N . 19511 1 268 . 1 1 28 28 CYS H H 1 7.470 0.023 . 1 . . . A 28 CYS H . 19511 1 269 . 1 1 28 28 CYS HA H 1 4.553 0.023 . 1 . . . A 28 CYS HA . 19511 1 270 . 1 1 28 28 CYS HB2 H 1 3.312 0.023 . 2 . . . A 28 CYS QB . 19511 1 271 . 1 1 28 28 CYS HB3 H 1 3.312 0.023 . 2 . . . A 28 CYS QB . 19511 1 272 . 1 1 28 28 CYS CA C 13 54.270 0.141 . 1 . . . A 28 CYS CA . 19511 1 273 . 1 1 28 28 CYS CB C 13 39.551 0.141 . 1 . . . A 28 CYS CB . 19511 1 274 . 1 1 28 28 CYS N N 15 115.311 0.102 . 1 . . . A 28 CYS N . 19511 1 275 . 1 1 29 29 LYS H H 1 8.648 0.023 . 1 . . . A 29 LYS H . 19511 1 276 . 1 1 29 29 LYS HA H 1 4.412 0.023 . 1 . . . A 29 LYS HA . 19511 1 277 . 1 1 29 29 LYS HB2 H 1 1.887 0.023 . 2 . . . A 29 LYS HB2 . 19511 1 278 . 1 1 29 29 LYS HB3 H 1 1.768 0.023 . 2 . . . A 29 LYS HB3 . 19511 1 279 . 1 1 29 29 LYS HG2 H 1 1.478 0.023 . 2 . . . A 29 LYS HG2 . 19511 1 280 . 1 1 29 29 LYS HG3 H 1 1.381 0.023 . 2 . . . A 29 LYS HG3 . 19511 1 281 . 1 1 29 29 LYS HD2 H 1 1.788 0.023 . 2 . . . A 29 LYS QD . 19511 1 282 . 1 1 29 29 LYS HD3 H 1 1.788 0.023 . 2 . . . A 29 LYS QD . 19511 1 283 . 1 1 29 29 LYS HE2 H 1 3.032 0.023 . 2 . . . A 29 LYS QE . 19511 1 284 . 1 1 29 29 LYS HE3 H 1 3.032 0.023 . 2 . . . A 29 LYS QE . 19511 1 285 . 1 1 29 29 LYS CA C 13 53.840 0.141 . 1 . . . A 29 LYS CA . 19511 1 286 . 1 1 29 29 LYS CB C 13 32.448 0.141 . 1 . . . A 29 LYS CB . 19511 1 287 . 1 1 29 29 LYS CG C 13 21.810 0.141 . 1 . . . A 29 LYS CG . 19511 1 288 . 1 1 29 29 LYS CD C 13 27.102 0.141 . 1 . . . A 29 LYS CD . 19511 1 289 . 1 1 29 29 LYS CE C 13 39.834 0.141 . 1 . . . A 29 LYS CE . 19511 1 290 . 1 1 29 29 LYS N N 15 122.013 0.102 . 1 . . . A 29 LYS N . 19511 1 291 . 1 1 30 30 LYS H H 1 7.887 0.023 . 1 . . . A 30 LYS H . 19511 1 292 . 1 1 30 30 LYS HA H 1 3.837 0.023 . 1 . . . A 30 LYS HA . 19511 1 293 . 1 1 30 30 LYS HB2 H 1 1.523 0.023 . 2 . . . A 30 LYS HB2 . 19511 1 294 . 1 1 30 30 LYS HB3 H 1 1.140 0.023 . 2 . . . A 30 LYS HB3 . 19511 1 295 . 1 1 30 30 LYS HG2 H 1 0.433 0.023 . 2 . . . A 30 LYS QG . 19511 1 296 . 1 1 30 30 LYS HG3 H 1 0.433 0.023 . 2 . . . A 30 LYS QG . 19511 1 297 . 1 1 30 30 LYS HD2 H 1 0.297 0.023 . 2 . . . A 30 LYS QD . 19511 1 298 . 1 1 30 30 LYS HD3 H 1 0.297 0.023 . 2 . . . A 30 LYS QD . 19511 1 299 . 1 1 30 30 LYS HE2 H 1 1.582 0.023 . 2 . . . A 30 LYS HE2 . 19511 1 300 . 1 1 30 30 LYS HE3 H 1 1.825 0.023 . 2 . . . A 30 LYS HE3 . 19511 1 301 . 1 1 30 30 LYS CA C 13 53.748 0.141 . 1 . . . A 30 LYS CA . 19511 1 302 . 1 1 30 30 LYS CB C 13 30.195 0.141 . 1 . . . A 30 LYS CB . 19511 1 303 . 1 1 30 30 LYS CG C 13 21.872 0.141 . 1 . . . A 30 LYS CG . 19511 1 304 . 1 1 30 30 LYS CD C 13 25.416 0.141 . 1 . . . A 30 LYS CD . 19511 1 305 . 1 1 30 30 LYS CE C 13 38.837 0.141 . 1 . . . A 30 LYS CE . 19511 1 306 . 1 1 30 30 LYS N N 15 117.519 0.102 . 1 . . . A 30 LYS N . 19511 1 307 . 1 1 31 31 TYR H H 1 7.368 0.023 . 1 . . . A 31 TYR H . 19511 1 308 . 1 1 31 31 TYR HA H 1 4.591 0.023 . 1 . . . A 31 TYR HA . 19511 1 309 . 1 1 31 31 TYR HB2 H 1 3.027 0.023 . 2 . . . A 31 TYR QB . 19511 1 310 . 1 1 31 31 TYR HB3 H 1 3.027 0.023 . 2 . . . A 31 TYR QB . 19511 1 311 . 1 1 31 31 TYR HD1 H 1 7.263 0.023 . 3 . . . A 31 TYR QD . 19511 1 312 . 1 1 31 31 TYR HD2 H 1 7.263 0.023 . 3 . . . A 31 TYR QD . 19511 1 313 . 1 1 31 31 TYR HE1 H 1 6.883 0.023 . 3 . . . A 31 TYR QE . 19511 1 314 . 1 1 31 31 TYR HE2 H 1 6.883 0.023 . 3 . . . A 31 TYR QE . 19511 1 315 . 1 1 31 31 TYR CA C 13 53.415 0.141 . 1 . . . A 31 TYR CA . 19511 1 316 . 1 1 31 31 TYR CB C 13 39.905 0.141 . 1 . . . A 31 TYR CB . 19511 1 317 . 1 1 31 31 TYR CD1 C 13 131.253 0.141 . 3 . . . A 31 TYR CD1 . 19511 1 318 . 1 1 31 31 TYR CD2 C 13 131.253 0.141 . 3 . . . A 31 TYR CD2 . 19511 1 319 . 1 1 31 31 TYR CE1 C 13 115.183 0.141 . 3 . . . A 31 TYR CE1 . 19511 1 320 . 1 1 31 31 TYR CE2 C 13 115.183 0.141 . 3 . . . A 31 TYR CE2 . 19511 1 321 . 1 1 31 31 TYR N N 15 112.770 0.102 . 1 . . . A 31 TYR N . 19511 1 322 . 1 1 32 32 LEU H H 1 8.442 0.023 . 1 . . . A 32 LEU H . 19511 1 323 . 1 1 32 32 LEU HA H 1 4.766 0.023 . 1 . . . A 32 LEU HA . 19511 1 324 . 1 1 32 32 LEU HB2 H 1 1.378 0.023 . 2 . . . A 32 LEU QB . 19511 1 325 . 1 1 32 32 LEU HB3 H 1 1.378 0.023 . 2 . . . A 32 LEU QB . 19511 1 326 . 1 1 32 32 LEU HG H 1 0.574 0.023 . 1 . . . A 32 LEU HG . 19511 1 327 . 1 1 32 32 LEU HD11 H 1 0.456 0.023 . 1 . . . A 32 LEU QD1 . 19511 1 328 . 1 1 32 32 LEU HD12 H 1 0.456 0.023 . 1 . . . A 32 LEU QD1 . 19511 1 329 . 1 1 32 32 LEU HD13 H 1 0.456 0.023 . 1 . . . A 32 LEU QD1 . 19511 1 330 . 1 1 32 32 LEU HD21 H 1 0.116 0.023 . 1 . . . A 32 LEU QD2 . 19511 1 331 . 1 1 32 32 LEU HD22 H 1 0.116 0.023 . 1 . . . A 32 LEU QD2 . 19511 1 332 . 1 1 32 32 LEU HD23 H 1 0.116 0.023 . 1 . . . A 32 LEU QD2 . 19511 1 333 . 1 1 32 32 LEU CA C 13 50.290 0.141 . 1 . . . A 32 LEU CA . 19511 1 334 . 1 1 32 32 LEU CB C 13 42.846 0.141 . 1 . . . A 32 LEU CB . 19511 1 335 . 1 1 32 32 LEU CG C 13 24.014 0.141 . 1 . . . A 32 LEU CG . 19511 1 336 . 1 1 32 32 LEU CD1 C 13 20.190 0.141 . 2 . . . A 32 LEU CD1 . 19511 1 337 . 1 1 32 32 LEU CD2 C 13 24.179 0.141 . 2 . . . A 32 LEU CD2 . 19511 1 338 . 1 1 32 32 LEU N N 15 120.286 0.102 . 1 . . . A 32 LEU N . 19511 1 339 . 1 1 33 33 SER H H 1 9.439 0.023 . 1 . . . A 33 SER H . 19511 1 340 . 1 1 33 33 SER HA H 1 4.045 0.023 . 1 . . . A 33 SER HA . 19511 1 341 . 1 1 33 33 SER HB2 H 1 2.293 0.023 . 2 . . . A 33 SER HB2 . 19511 1 342 . 1 1 33 33 SER HB3 H 1 1.919 0.023 . 2 . . . A 33 SER HB3 . 19511 1 343 . 1 1 33 33 SER CA C 13 54.957 0.141 . 1 . . . A 33 SER CA . 19511 1 344 . 1 1 33 33 SER CB C 13 63.875 0.141 . 1 . . . A 33 SER CB . 19511 1 345 . 1 1 33 33 SER N N 15 120.490 0.102 . 1 . . . A 33 SER N . 19511 1 346 . 1 1 34 34 LEU H H 1 8.886 0.023 . 1 . . . A 34 LEU H . 19511 1 347 . 1 1 34 34 LEU HA H 1 4.059 0.023 . 1 . . . A 34 LEU HA . 19511 1 348 . 1 1 34 34 LEU HB2 H 1 1.888 0.023 . 2 . . . A 34 LEU HB2 . 19511 1 349 . 1 1 34 34 LEU HB3 H 1 1.716 0.023 . 2 . . . A 34 LEU HB3 . 19511 1 350 . 1 1 34 34 LEU HG H 1 1.796 0.023 . 1 . . . A 34 LEU HG . 19511 1 351 . 1 1 34 34 LEU HD11 H 1 1.002 0.023 . 1 . . . A 34 LEU QD1 . 19511 1 352 . 1 1 34 34 LEU HD12 H 1 1.002 0.023 . 1 . . . A 34 LEU QD1 . 19511 1 353 . 1 1 34 34 LEU HD13 H 1 1.002 0.023 . 1 . . . A 34 LEU QD1 . 19511 1 354 . 1 1 34 34 LEU HD21 H 1 1.032 0.023 . 1 . . . A 34 LEU QD2 . 19511 1 355 . 1 1 34 34 LEU HD22 H 1 1.032 0.023 . 1 . . . A 34 LEU QD2 . 19511 1 356 . 1 1 34 34 LEU HD23 H 1 1.032 0.023 . 1 . . . A 34 LEU QD2 . 19511 1 357 . 1 1 34 34 LEU CA C 13 56.683 0.141 . 1 . . . A 34 LEU CA . 19511 1 358 . 1 1 34 34 LEU CB C 13 38.920 0.141 . 1 . . . A 34 LEU CB . 19511 1 359 . 1 1 34 34 LEU CG C 13 24.864 0.141 . 1 . . . A 34 LEU CG . 19511 1 360 . 1 1 34 34 LEU CD1 C 13 21.054 0.141 . 2 . . . A 34 LEU CD1 . 19511 1 361 . 1 1 34 34 LEU CD2 C 13 22.391 0.141 . 2 . . . A 34 LEU CD2 . 19511 1 362 . 1 1 34 34 LEU N N 15 121.725 0.102 . 1 . . . A 34 LEU N . 19511 1 363 . 1 1 35 35 THR H H 1 8.142 0.023 . 1 . . . A 35 THR H . 19511 1 364 . 1 1 35 35 THR HA H 1 4.047 0.023 . 1 . . . A 35 THR HA . 19511 1 365 . 1 1 35 35 THR HB H 1 4.080 0.023 . 1 . . . A 35 THR HB . 19511 1 366 . 1 1 35 35 THR HG21 H 1 1.268 0.023 . 1 . . . A 35 THR QG2 . 19511 1 367 . 1 1 35 35 THR HG22 H 1 1.268 0.023 . 1 . . . A 35 THR QG2 . 19511 1 368 . 1 1 35 35 THR HG23 H 1 1.268 0.023 . 1 . . . A 35 THR QG2 . 19511 1 369 . 1 1 35 35 THR CA C 13 63.322 0.141 . 1 . . . A 35 THR CA . 19511 1 370 . 1 1 35 35 THR CB C 13 65.973 0.141 . 1 . . . A 35 THR CB . 19511 1 371 . 1 1 35 35 THR CG2 C 13 19.505 0.141 . 1 . . . A 35 THR CG2 . 19511 1 372 . 1 1 35 35 THR N N 15 113.779 0.102 . 1 . . . A 35 THR N . 19511 1 373 . 1 1 36 36 GLU H H 1 7.658 0.023 . 1 . . . A 36 GLU H . 19511 1 374 . 1 1 36 36 GLU HA H 1 4.036 0.023 . 1 . . . A 36 GLU HA . 19511 1 375 . 1 1 36 36 GLU HB2 H 1 1.915 0.023 . 2 . . . A 36 GLU HB2 . 19511 1 376 . 1 1 36 36 GLU HB3 H 1 2.292 0.023 . 2 . . . A 36 GLU HB3 . 19511 1 377 . 1 1 36 36 GLU HG2 H 1 2.299 0.023 . 2 . . . A 36 GLU QG . 19511 1 378 . 1 1 36 36 GLU HG3 H 1 2.299 0.023 . 2 . . . A 36 GLU QG . 19511 1 379 . 1 1 36 36 GLU CA C 13 56.454 0.141 . 1 . . . A 36 GLU CA . 19511 1 380 . 1 1 36 36 GLU CB C 13 27.949 0.141 . 1 . . . A 36 GLU CB . 19511 1 381 . 1 1 36 36 GLU CG C 13 34.727 0.141 . 1 . . . A 36 GLU CG . 19511 1 382 . 1 1 36 36 GLU N N 15 122.728 0.102 . 1 . . . A 36 GLU N . 19511 1 383 . 1 1 37 37 ARG H H 1 8.762 0.023 . 1 . . . A 37 ARG H . 19511 1 384 . 1 1 37 37 ARG HA H 1 3.842 0.023 . 1 . . . A 37 ARG HA . 19511 1 385 . 1 1 37 37 ARG HB2 H 1 1.864 0.023 . 2 . . . A 37 ARG HB2 . 19511 1 386 . 1 1 37 37 ARG HB3 H 1 1.886 0.023 . 2 . . . A 37 ARG HB3 . 19511 1 387 . 1 1 37 37 ARG HG2 H 1 0.118 0.023 . 2 . . . A 37 ARG QG . 19511 1 388 . 1 1 37 37 ARG HG3 H 1 0.118 0.023 . 2 . . . A 37 ARG QG . 19511 1 389 . 1 1 37 37 ARG CA C 13 57.537 0.141 . 1 . . . A 37 ARG CA . 19511 1 390 . 1 1 37 37 ARG CB C 13 28.496 0.141 . 1 . . . A 37 ARG CB . 19511 1 391 . 1 1 37 37 ARG CG C 13 24.293 0.141 . 1 . . . A 37 ARG CG . 19511 1 392 . 1 1 37 37 ARG N N 15 118.862 0.102 . 1 . . . A 37 ARG N . 19511 1 393 . 1 1 38 38 SER H H 1 7.989 0.023 . 1 . . . A 38 SER H . 19511 1 394 . 1 1 38 38 SER HA H 1 4.039 0.023 . 1 . . . A 38 SER HA . 19511 1 395 . 1 1 38 38 SER HB2 H 1 2.121 0.023 . 2 . . . A 38 SER QB . 19511 1 396 . 1 1 38 38 SER HB3 H 1 2.121 0.023 . 2 . . . A 38 SER QB . 19511 1 397 . 1 1 38 38 SER CA C 13 60.349 0.141 . 1 . . . A 38 SER CA . 19511 1 398 . 1 1 38 38 SER CB C 13 65.383 0.141 . 1 . . . A 38 SER CB . 19511 1 399 . 1 1 38 38 SER N N 15 113.126 0.102 . 1 . . . A 38 SER N . 19511 1 400 . 1 1 39 39 GLN H H 1 8.017 0.023 . 1 . . . A 39 GLN H . 19511 1 401 . 1 1 39 39 GLN HA H 1 4.176 0.023 . 1 . . . A 39 GLN HA . 19511 1 402 . 1 1 39 39 GLN HB2 H 1 2.200 0.023 . 2 . . . A 39 GLN HB2 . 19511 1 403 . 1 1 39 39 GLN HB3 H 1 2.298 0.023 . 2 . . . A 39 GLN HB3 . 19511 1 404 . 1 1 39 39 GLN HG2 H 1 2.607 0.023 . 2 . . . A 39 GLN HG2 . 19511 1 405 . 1 1 39 39 GLN HG3 H 1 2.471 0.023 . 2 . . . A 39 GLN HG3 . 19511 1 406 . 1 1 39 39 GLN HE21 H 1 7.421 0.023 . 2 . . . A 39 GLN HE21 . 19511 1 407 . 1 1 39 39 GLN HE22 H 1 6.794 0.023 . 2 . . . A 39 GLN HE22 . 19511 1 408 . 1 1 39 39 GLN CA C 13 56.766 0.141 . 1 . . . A 39 GLN CA . 19511 1 409 . 1 1 39 39 GLN CB C 13 25.985 0.141 . 1 . . . A 39 GLN CB . 19511 1 410 . 1 1 39 39 GLN CG C 13 31.650 0.141 . 1 . . . A 39 GLN CG . 19511 1 411 . 1 1 39 39 GLN N N 15 121.461 0.102 . 1 . . . A 39 GLN N . 19511 1 412 . 1 1 39 39 GLN NE2 N 15 111.041 0.102 . 1 . . . A 39 GLN NE2 . 19511 1 413 . 1 1 40 40 ILE H H 1 8.290 0.023 . 1 . . . A 40 ILE H . 19511 1 414 . 1 1 40 40 ILE HA H 1 3.943 0.023 . 1 . . . A 40 ILE HA . 19511 1 415 . 1 1 40 40 ILE HB H 1 1.790 0.023 . 1 . . . A 40 ILE HB . 19511 1 416 . 1 1 40 40 ILE HG12 H 1 1.125 0.023 . 1 . . . A 40 ILE QG1 . 19511 1 417 . 1 1 40 40 ILE HG13 H 1 1.125 0.023 . 1 . . . A 40 ILE QG1 . 19511 1 418 . 1 1 40 40 ILE HG21 H 1 0.929 0.023 . 1 . . . A 40 ILE QG2 . 19511 1 419 . 1 1 40 40 ILE HG22 H 1 0.929 0.023 . 1 . . . A 40 ILE QG2 . 19511 1 420 . 1 1 40 40 ILE HG23 H 1 0.929 0.023 . 1 . . . A 40 ILE QG2 . 19511 1 421 . 1 1 40 40 ILE HD11 H 1 0.801 0.023 . 1 . . . A 40 ILE QD1 . 19511 1 422 . 1 1 40 40 ILE HD12 H 1 0.801 0.023 . 1 . . . A 40 ILE QD1 . 19511 1 423 . 1 1 40 40 ILE HD13 H 1 0.801 0.023 . 1 . . . A 40 ILE QD1 . 19511 1 424 . 1 1 40 40 ILE CA C 13 62.170 0.141 . 1 . . . A 40 ILE CA . 19511 1 425 . 1 1 40 40 ILE CB C 13 35.984 0.141 . 1 . . . A 40 ILE CB . 19511 1 426 . 1 1 40 40 ILE CG1 C 13 27.347 0.141 . 1 . . . A 40 ILE CG1 . 19511 1 427 . 1 1 40 40 ILE CG2 C 13 15.567 0.141 . 1 . . . A 40 ILE CG2 . 19511 1 428 . 1 1 40 40 ILE CD1 C 13 12.129 0.141 . 1 . . . A 40 ILE CD1 . 19511 1 429 . 1 1 40 40 ILE N N 15 121.303 0.102 . 1 . . . A 40 ILE N . 19511 1 430 . 1 1 41 41 ALA H H 1 8.201 0.023 . 1 . . . A 41 ALA H . 19511 1 431 . 1 1 41 41 ALA HA H 1 3.757 0.023 . 1 . . . A 41 ALA HA . 19511 1 432 . 1 1 41 41 ALA HB1 H 1 1.458 0.023 . 1 . . . A 41 ALA QB . 19511 1 433 . 1 1 41 41 ALA HB2 H 1 1.458 0.023 . 1 . . . A 41 ALA QB . 19511 1 434 . 1 1 41 41 ALA HB3 H 1 1.458 0.023 . 1 . . . A 41 ALA QB . 19511 1 435 . 1 1 41 41 ALA CA C 13 53.812 0.141 . 1 . . . A 41 ALA CA . 19511 1 436 . 1 1 41 41 ALA CB C 13 15.288 0.141 . 1 . . . A 41 ALA CB . 19511 1 437 . 1 1 41 41 ALA N N 15 121.610 0.102 . 1 . . . A 41 ALA N . 19511 1 438 . 1 1 42 42 HIS H H 1 8.136 0.023 . 1 . . . A 42 HIS H . 19511 1 439 . 1 1 42 42 HIS HA H 1 3.751 0.023 . 1 . . . A 42 HIS HA . 19511 1 440 . 1 1 42 42 HIS HB2 H 1 1.520 0.023 . 2 . . . A 42 HIS QB . 19511 1 441 . 1 1 42 42 HIS HB3 H 1 1.520 0.023 . 2 . . . A 42 HIS QB . 19511 1 442 . 1 1 42 42 HIS HD2 H 1 7.261 0.023 . 1 . . . A 42 HIS HD2 . 19511 1 443 . 1 1 42 42 HIS HE1 H 1 8.161 0.023 . 1 . . . A 42 HIS HE1 . 19511 1 444 . 1 1 42 42 HIS CA C 13 53.713 0.141 . 1 . . . A 42 HIS CA . 19511 1 445 . 1 1 42 42 HIS CB C 13 25.282 0.141 . 1 . . . A 42 HIS CB . 19511 1 446 . 1 1 42 42 HIS CD2 C 13 117.870 0.141 . 1 . . . A 42 HIS CD2 . 19511 1 447 . 1 1 42 42 HIS CE1 C 13 135.343 0.141 . 1 . . . A 42 HIS CE1 . 19511 1 448 . 1 1 42 42 HIS N N 15 114.498 0.102 . 1 . . . A 42 HIS N . 19511 1 449 . 1 1 43 43 ALA H H 1 8.181 0.023 . 1 . . . A 43 ALA H . 19511 1 450 . 1 1 43 43 ALA HA H 1 4.118 0.023 . 1 . . . A 43 ALA HA . 19511 1 451 . 1 1 43 43 ALA HB1 H 1 1.598 0.023 . 1 . . . A 43 ALA QB . 19511 1 452 . 1 1 43 43 ALA HB2 H 1 1.598 0.023 . 1 . . . A 43 ALA QB . 19511 1 453 . 1 1 43 43 ALA HB3 H 1 1.598 0.023 . 1 . . . A 43 ALA QB . 19511 1 454 . 1 1 43 43 ALA CA C 13 52.521 0.141 . 1 . . . A 43 ALA CA . 19511 1 455 . 1 1 43 43 ALA CB C 13 16.046 0.141 . 1 . . . A 43 ALA CB . 19511 1 456 . 1 1 43 43 ALA N N 15 121.763 0.102 . 1 . . . A 43 ALA N . 19511 1 457 . 1 1 44 44 LEU H H 1 8.016 0.023 . 1 . . . A 44 LEU H . 19511 1 458 . 1 1 44 44 LEU HA H 1 4.416 0.023 . 1 . . . A 44 LEU HA . 19511 1 459 . 1 1 44 44 LEU HB2 H 1 1.602 0.023 . 2 . . . A 44 LEU QB . 19511 1 460 . 1 1 44 44 LEU HB3 H 1 1.602 0.023 . 2 . . . A 44 LEU QB . 19511 1 461 . 1 1 44 44 LEU HG H 1 2.035 0.023 . 1 . . . A 44 LEU HG . 19511 1 462 . 1 1 44 44 LEU HD11 H 1 0.784 0.023 . 1 . . . A 44 LEU QD1 . 19511 1 463 . 1 1 44 44 LEU HD12 H 1 0.784 0.023 . 1 . . . A 44 LEU QD1 . 19511 1 464 . 1 1 44 44 LEU HD13 H 1 0.784 0.023 . 1 . . . A 44 LEU QD1 . 19511 1 465 . 1 1 44 44 LEU HD21 H 1 0.815 0.023 . 1 . . . A 44 LEU QD2 . 19511 1 466 . 1 1 44 44 LEU HD22 H 1 0.815 0.023 . 1 . . . A 44 LEU QD2 . 19511 1 467 . 1 1 44 44 LEU HD23 H 1 0.815 0.023 . 1 . . . A 44 LEU QD2 . 19511 1 468 . 1 1 44 44 LEU CA C 13 51.814 0.141 . 1 . . . A 44 LEU CA . 19511 1 469 . 1 1 44 44 LEU CB C 13 40.181 0.141 . 1 . . . A 44 LEU CB . 19511 1 470 . 1 1 44 44 LEU CG C 13 24.406 0.141 . 1 . . . A 44 LEU CG . 19511 1 471 . 1 1 44 44 LEU CD1 C 13 23.864 0.141 . 2 . . . A 44 LEU CD1 . 19511 1 472 . 1 1 44 44 LEU CD2 C 13 20.262 0.141 . 2 . . . A 44 LEU CD2 . 19511 1 473 . 1 1 44 44 LEU N N 15 114.063 0.102 . 1 . . . A 44 LEU N . 19511 1 474 . 1 1 45 45 LYS H H 1 7.867 0.023 . 1 . . . A 45 LYS H . 19511 1 475 . 1 1 45 45 LYS HA H 1 4.026 0.023 . 1 . . . A 45 LYS HA . 19511 1 476 . 1 1 45 45 LYS HB2 H 1 2.228 0.023 . 2 . . . A 45 LYS HB2 . 19511 1 477 . 1 1 45 45 LYS HB3 H 1 1.942 0.023 . 2 . . . A 45 LYS HB3 . 19511 1 478 . 1 1 45 45 LYS HG2 H 1 1.403 0.023 . 2 . . . A 45 LYS QG . 19511 1 479 . 1 1 45 45 LYS HG3 H 1 1.403 0.023 . 2 . . . A 45 LYS QG . 19511 1 480 . 1 1 45 45 LYS HD2 H 1 1.768 0.023 . 2 . . . A 45 LYS QD . 19511 1 481 . 1 1 45 45 LYS HD3 H 1 1.768 0.023 . 2 . . . A 45 LYS QD . 19511 1 482 . 1 1 45 45 LYS HE2 H 1 2.998 0.023 . 2 . . . A 45 LYS HE2 . 19511 1 483 . 1 1 45 45 LYS HE3 H 1 3.122 0.023 . 2 . . . A 45 LYS HE3 . 19511 1 484 . 1 1 45 45 LYS CA C 13 54.887 0.141 . 1 . . . A 45 LYS CA . 19511 1 485 . 1 1 45 45 LYS CB C 13 26.031 0.141 . 1 . . . A 45 LYS CB . 19511 1 486 . 1 1 45 45 LYS CG C 13 22.601 0.141 . 1 . . . A 45 LYS CG . 19511 1 487 . 1 1 45 45 LYS CD C 13 26.826 0.141 . 1 . . . A 45 LYS CD . 19511 1 488 . 1 1 45 45 LYS CE C 13 39.482 0.141 . 1 . . . A 45 LYS CE . 19511 1 489 . 1 1 45 45 LYS N N 15 116.933 0.102 . 1 . . . A 45 LYS N . 19511 1 490 . 1 1 46 46 LEU H H 1 8.517 0.023 . 1 . . . A 46 LEU H . 19511 1 491 . 1 1 46 46 LEU HA H 1 4.937 0.023 . 1 . . . A 46 LEU HA . 19511 1 492 . 1 1 46 46 LEU HB2 H 1 1.381 0.023 . 2 . . . A 46 LEU HB2 . 19511 1 493 . 1 1 46 46 LEU HB3 H 1 1.826 0.023 . 2 . . . A 46 LEU HB3 . 19511 1 494 . 1 1 46 46 LEU HG H 1 1.665 0.023 . 1 . . . A 46 LEU HG . 19511 1 495 . 1 1 46 46 LEU HD11 H 1 0.839 0.023 . 1 . . . A 46 LEU QD1 . 19511 1 496 . 1 1 46 46 LEU HD12 H 1 0.839 0.023 . 1 . . . A 46 LEU QD1 . 19511 1 497 . 1 1 46 46 LEU HD13 H 1 0.839 0.023 . 1 . . . A 46 LEU QD1 . 19511 1 498 . 1 1 46 46 LEU HD21 H 1 1.059 0.023 . 1 . . . A 46 LEU QD2 . 19511 1 499 . 1 1 46 46 LEU HD22 H 1 1.059 0.023 . 1 . . . A 46 LEU QD2 . 19511 1 500 . 1 1 46 46 LEU HD23 H 1 1.059 0.023 . 1 . . . A 46 LEU QD2 . 19511 1 501 . 1 1 46 46 LEU CA C 13 49.983 0.141 . 1 . . . A 46 LEU CA . 19511 1 502 . 1 1 46 46 LEU CB C 13 45.389 0.141 . 1 . . . A 46 LEU CB . 19511 1 503 . 1 1 46 46 LEU CG C 13 23.972 0.141 . 1 . . . A 46 LEU CG . 19511 1 504 . 1 1 46 46 LEU CD1 C 13 24.855 0.141 . 2 . . . A 46 LEU CD1 . 19511 1 505 . 1 1 46 46 LEU CD2 C 13 21.041 0.141 . 2 . . . A 46 LEU CD2 . 19511 1 506 . 1 1 46 46 LEU N N 15 119.776 0.102 . 1 . . . A 46 LEU N . 19511 1 507 . 1 1 47 47 SER H H 1 9.225 0.023 . 1 . . . A 47 SER H . 19511 1 508 . 1 1 47 47 SER HA H 1 4.856 0.023 . 1 . . . A 47 SER HA . 19511 1 509 . 1 1 47 47 SER HB2 H 1 4.406 0.023 . 2 . . . A 47 SER HB2 . 19511 1 510 . 1 1 47 47 SER HB3 H 1 4.054 0.023 . 2 . . . A 47 SER HB3 . 19511 1 511 . 1 1 47 47 SER CA C 13 54.112 0.141 . 1 . . . A 47 SER CA . 19511 1 512 . 1 1 47 47 SER CB C 13 62.635 0.141 . 1 . . . A 47 SER CB . 19511 1 513 . 1 1 47 47 SER N N 15 114.945 0.102 . 1 . . . A 47 SER N . 19511 1 514 . 1 1 48 48 GLU H H 1 9.278 0.023 . 1 . . . A 48 GLU H . 19511 1 515 . 1 1 48 48 GLU HA H 1 3.778 0.023 . 1 . . . A 48 GLU HA . 19511 1 516 . 1 1 48 48 GLU HB2 H 1 2.088 0.023 . 2 . . . A 48 GLU HB2 . 19511 1 517 . 1 1 48 48 GLU HB3 H 1 2.155 0.023 . 2 . . . A 48 GLU HB3 . 19511 1 518 . 1 1 48 48 GLU HG2 H 1 2.161 0.023 . 2 . . . A 48 GLU HG2 . 19511 1 519 . 1 1 48 48 GLU HG3 H 1 2.525 0.023 . 2 . . . A 48 GLU HG3 . 19511 1 520 . 1 1 48 48 GLU CA C 13 58.893 0.141 . 1 . . . A 48 GLU CA . 19511 1 521 . 1 1 48 48 GLU CB C 13 27.002 0.141 . 1 . . . A 48 GLU CB . 19511 1 522 . 1 1 48 48 GLU CG C 13 35.881 0.141 . 1 . . . A 48 GLU CG . 19511 1 523 . 1 1 48 48 GLU N N 15 122.216 0.102 . 1 . . . A 48 GLU N . 19511 1 524 . 1 1 49 49 VAL H H 1 7.993 0.023 . 1 . . . A 49 VAL H . 19511 1 525 . 1 1 49 49 VAL HA H 1 3.854 0.023 . 1 . . . A 49 VAL HA . 19511 1 526 . 1 1 49 49 VAL HB H 1 2.124 0.023 . 1 . . . A 49 VAL HB . 19511 1 527 . 1 1 49 49 VAL HG11 H 1 1.104 0.023 . 1 . . . A 49 VAL QG1 . 19511 1 528 . 1 1 49 49 VAL HG12 H 1 1.104 0.023 . 1 . . . A 49 VAL QG1 . 19511 1 529 . 1 1 49 49 VAL HG13 H 1 1.104 0.023 . 1 . . . A 49 VAL QG1 . 19511 1 530 . 1 1 49 49 VAL HG21 H 1 1.168 0.023 . 1 . . . A 49 VAL QG2 . 19511 1 531 . 1 1 49 49 VAL HG22 H 1 1.168 0.023 . 1 . . . A 49 VAL QG2 . 19511 1 532 . 1 1 49 49 VAL HG23 H 1 1.168 0.023 . 1 . . . A 49 VAL QG2 . 19511 1 533 . 1 1 49 49 VAL CA C 13 63.808 0.141 . 1 . . . A 49 VAL CA . 19511 1 534 . 1 1 49 49 VAL CB C 13 29.556 0.141 . 1 . . . A 49 VAL CB . 19511 1 535 . 1 1 49 49 VAL CG1 C 13 18.662 0.141 . 2 . . . A 49 VAL CG1 . 19511 1 536 . 1 1 49 49 VAL CG2 C 13 20.492 0.141 . 2 . . . A 49 VAL CG2 . 19511 1 537 . 1 1 49 49 VAL N N 15 118.235 0.102 . 1 . . . A 49 VAL N . 19511 1 538 . 1 1 50 50 GLN H H 1 7.705 0.023 . 1 . . . A 50 GLN H . 19511 1 539 . 1 1 50 50 GLN HA H 1 4.296 0.023 . 1 . . . A 50 GLN HA . 19511 1 540 . 1 1 50 50 GLN HB2 H 1 2.123 0.023 . 2 . . . A 50 GLN HB2 . 19511 1 541 . 1 1 50 50 GLN HB3 H 1 2.833 0.023 . 2 . . . A 50 GLN HB3 . 19511 1 542 . 1 1 50 50 GLN HG2 H 1 2.593 0.023 . 2 . . . A 50 GLN HG2 . 19511 1 543 . 1 1 50 50 GLN HG3 H 1 2.645 0.023 . 2 . . . A 50 GLN HG3 . 19511 1 544 . 1 1 50 50 GLN HE21 H 1 7.010 0.023 . 2 . . . A 50 GLN HE21 . 19511 1 545 . 1 1 50 50 GLN HE22 H 1 8.050 0.023 . 2 . . . A 50 GLN HE22 . 19511 1 546 . 1 1 50 50 GLN CA C 13 57.495 0.141 . 1 . . . A 50 GLN CA . 19511 1 547 . 1 1 50 50 GLN CB C 13 27.381 0.141 . 1 . . . A 50 GLN CB . 19511 1 548 . 1 1 50 50 GLN CG C 13 33.577 0.141 . 1 . . . A 50 GLN CG . 19511 1 549 . 1 1 50 50 GLN N N 15 119.879 0.102 . 1 . . . A 50 GLN N . 19511 1 550 . 1 1 50 50 GLN NE2 N 15 116.224 0.102 . 1 . . . A 50 GLN NE2 . 19511 1 551 . 1 1 51 51 VAL H H 1 7.629 0.023 . 1 . . . A 51 VAL H . 19511 1 552 . 1 1 51 51 VAL HA H 1 3.818 0.023 . 1 . . . A 51 VAL HA . 19511 1 553 . 1 1 51 51 VAL HB H 1 2.247 0.023 . 1 . . . A 51 VAL HB . 19511 1 554 . 1 1 51 51 VAL HG11 H 1 1.067 0.023 . 1 . . . A 51 VAL QG1 . 19511 1 555 . 1 1 51 51 VAL HG12 H 1 1.067 0.023 . 1 . . . A 51 VAL QG1 . 19511 1 556 . 1 1 51 51 VAL HG13 H 1 1.067 0.023 . 1 . . . A 51 VAL QG1 . 19511 1 557 . 1 1 51 51 VAL HG21 H 1 1.066 0.023 . 1 . . . A 51 VAL QG2 . 19511 1 558 . 1 1 51 51 VAL HG22 H 1 1.066 0.023 . 1 . . . A 51 VAL QG2 . 19511 1 559 . 1 1 51 51 VAL HG23 H 1 1.066 0.023 . 1 . . . A 51 VAL QG2 . 19511 1 560 . 1 1 51 51 VAL CA C 13 64.839 0.141 . 1 . . . A 51 VAL CA . 19511 1 561 . 1 1 51 51 VAL CB C 13 29.968 0.141 . 1 . . . A 51 VAL CB . 19511 1 562 . 1 1 51 51 VAL CG1 C 13 20.022 0.141 . 2 . . . A 51 VAL CG1 . 19511 1 563 . 1 1 51 51 VAL CG2 C 13 21.143 0.141 . 2 . . . A 51 VAL CG2 . 19511 1 564 . 1 1 51 51 VAL N N 15 117.905 0.102 . 1 . . . A 51 VAL N . 19511 1 565 . 1 1 52 52 LYS H H 1 8.802 0.023 . 1 . . . A 52 LYS H . 19511 1 566 . 1 1 52 52 LYS HA H 1 4.168 0.023 . 1 . . . A 52 LYS HA . 19511 1 567 . 1 1 52 52 LYS HB2 H 1 2.238 0.023 . 2 . . . A 52 LYS HB2 . 19511 1 568 . 1 1 52 52 LYS HB3 H 1 2.070 0.023 . 2 . . . A 52 LYS HB3 . 19511 1 569 . 1 1 52 52 LYS HG2 H 1 1.720 0.023 . 2 . . . A 52 LYS QG . 19511 1 570 . 1 1 52 52 LYS HG3 H 1 1.720 0.023 . 2 . . . A 52 LYS QG . 19511 1 571 . 1 1 52 52 LYS HD2 H 1 1.732 0.023 . 2 . . . A 52 LYS QD . 19511 1 572 . 1 1 52 52 LYS HD3 H 1 1.732 0.023 . 2 . . . A 52 LYS QD . 19511 1 573 . 1 1 52 52 LYS HE2 H 1 2.986 0.023 . 2 . . . A 52 LYS QE . 19511 1 574 . 1 1 52 52 LYS HE3 H 1 2.986 0.023 . 2 . . . A 52 LYS QE . 19511 1 575 . 1 1 52 52 LYS CA C 13 57.489 0.141 . 1 . . . A 52 LYS CA . 19511 1 576 . 1 1 52 52 LYS CB C 13 30.473 0.141 . 1 . . . A 52 LYS CB . 19511 1 577 . 1 1 52 52 LYS CG C 13 22.421 0.141 . 1 . . . A 52 LYS CG . 19511 1 578 . 1 1 52 52 LYS CD C 13 27.297 0.141 . 1 . . . A 52 LYS CD . 19511 1 579 . 1 1 52 52 LYS CE C 13 39.675 0.141 . 1 . . . A 52 LYS CE . 19511 1 580 . 1 1 52 52 LYS N N 15 120.669 0.102 . 1 . . . A 52 LYS N . 19511 1 581 . 1 1 53 53 ILE H H 1 8.711 0.023 . 1 . . . A 53 ILE H . 19511 1 582 . 1 1 53 53 ILE HA H 1 3.710 0.023 . 1 . . . A 53 ILE HA . 19511 1 583 . 1 1 53 53 ILE HB H 1 2.259 0.023 . 1 . . . A 53 ILE HB . 19511 1 584 . 1 1 53 53 ILE HG12 H 1 1.758 0.023 . 2 . . . A 53 ILE HG12 . 19511 1 585 . 1 1 53 53 ILE HG13 H 1 1.382 0.023 . 2 . . . A 53 ILE HG13 . 19511 1 586 . 1 1 53 53 ILE HG21 H 1 1.143 0.023 . 1 . . . A 53 ILE QG2 . 19511 1 587 . 1 1 53 53 ILE HG22 H 1 1.143 0.023 . 1 . . . A 53 ILE QG2 . 19511 1 588 . 1 1 53 53 ILE HG23 H 1 1.143 0.023 . 1 . . . A 53 ILE QG2 . 19511 1 589 . 1 1 53 53 ILE HD11 H 1 0.873 0.023 . 1 . . . A 53 ILE QD1 . 19511 1 590 . 1 1 53 53 ILE HD12 H 1 0.873 0.023 . 1 . . . A 53 ILE QD1 . 19511 1 591 . 1 1 53 53 ILE HD13 H 1 0.873 0.023 . 1 . . . A 53 ILE QD1 . 19511 1 592 . 1 1 53 53 ILE CA C 13 61.549 0.141 . 1 . . . A 53 ILE CA . 19511 1 593 . 1 1 53 53 ILE CB C 13 35.022 0.141 . 1 . . . A 53 ILE CB . 19511 1 594 . 1 1 53 53 ILE CG1 C 13 27.127 0.141 . 1 . . . A 53 ILE CG1 . 19511 1 595 . 1 1 53 53 ILE CG2 C 13 16.265 0.141 . 1 . . . A 53 ILE CG2 . 19511 1 596 . 1 1 53 53 ILE CD1 C 13 9.799 0.141 . 1 . . . A 53 ILE CD1 . 19511 1 597 . 1 1 53 53 ILE N N 15 120.041 0.102 . 1 . . . A 53 ILE N . 19511 1 598 . 1 1 54 54 TRP H H 1 8.467 0.023 . 1 . . . A 54 TRP H . 19511 1 599 . 1 1 54 54 TRP HA H 1 4.731 0.023 . 1 . . . A 54 TRP HA . 19511 1 600 . 1 1 54 54 TRP HB2 H 1 3.384 0.023 . 2 . . . A 54 TRP HB2 . 19511 1 601 . 1 1 54 54 TRP HB3 H 1 3.472 0.023 . 2 . . . A 54 TRP HB3 . 19511 1 602 . 1 1 54 54 TRP HD1 H 1 7.050 0.023 . 1 . . . A 54 TRP HD1 . 19511 1 603 . 1 1 54 54 TRP HE1 H 1 9.242 0.023 . 1 . . . A 54 TRP HE1 . 19511 1 604 . 1 1 54 54 TRP HE3 H 1 6.913 0.023 . 1 . . . A 54 TRP HE3 . 19511 1 605 . 1 1 54 54 TRP HZ2 H 1 7.179 0.023 . 1 . . . A 54 TRP HZ2 . 19511 1 606 . 1 1 54 54 TRP HZ3 H 1 5.693 0.023 . 1 . . . A 54 TRP HZ3 . 19511 1 607 . 1 1 54 54 TRP HH2 H 1 6.377 0.023 . 1 . . . A 54 TRP HH2 . 19511 1 608 . 1 1 54 54 TRP CA C 13 60.105 0.141 . 1 . . . A 54 TRP CA . 19511 1 609 . 1 1 54 54 TRP CB C 13 26.108 0.141 . 1 . . . A 54 TRP CB . 19511 1 610 . 1 1 54 54 TRP CD1 C 13 126.596 0.141 . 1 . . . A 54 TRP CD1 . 19511 1 611 . 1 1 54 54 TRP CE3 C 13 118.662 0.141 . 1 . . . A 54 TRP CE3 . 19511 1 612 . 1 1 54 54 TRP CZ2 C 13 111.398 0.141 . 1 . . . A 54 TRP CZ2 . 19511 1 613 . 1 1 54 54 TRP CZ3 C 13 118.004 0.141 . 1 . . . A 54 TRP CZ3 . 19511 1 614 . 1 1 54 54 TRP CH2 C 13 120.687 0.141 . 1 . . . A 54 TRP CH2 . 19511 1 615 . 1 1 54 54 TRP N N 15 123.292 0.102 . 1 . . . A 54 TRP N . 19511 1 616 . 1 1 54 54 TRP NE1 N 15 128.715 0.102 . 1 . . . A 54 TRP NE1 . 19511 1 617 . 1 1 55 55 PHE H H 1 8.923 0.023 . 1 . . . A 55 PHE H . 19511 1 618 . 1 1 55 55 PHE HA H 1 3.801 0.023 . 1 . . . A 55 PHE HA . 19511 1 619 . 1 1 55 55 PHE HB2 H 1 3.467 0.023 . 2 . . . A 55 PHE HB2 . 19511 1 620 . 1 1 55 55 PHE HB3 H 1 3.273 0.023 . 2 . . . A 55 PHE HB3 . 19511 1 621 . 1 1 55 55 PHE HD1 H 1 7.774 0.023 . 3 . . . A 55 PHE QD . 19511 1 622 . 1 1 55 55 PHE HD2 H 1 7.774 0.023 . 3 . . . A 55 PHE QD . 19511 1 623 . 1 1 55 55 PHE HE1 H 1 7.632 0.023 . 3 . . . A 55 PHE QE . 19511 1 624 . 1 1 55 55 PHE HE2 H 1 7.632 0.023 . 3 . . . A 55 PHE QE . 19511 1 625 . 1 1 55 55 PHE CA C 13 61.097 0.141 . 1 . . . A 55 PHE CA . 19511 1 626 . 1 1 55 55 PHE CB C 13 36.812 0.141 . 1 . . . A 55 PHE CB . 19511 1 627 . 1 1 55 55 PHE CD1 C 13 129.125 0.141 . 3 . . . A 55 PHE CD1 . 19511 1 628 . 1 1 55 55 PHE CD2 C 13 129.124 0.141 . 3 . . . A 55 PHE CD2 . 19511 1 629 . 1 1 55 55 PHE CE1 C 13 130.085 0.141 . 3 . . . A 55 PHE CE1 . 19511 1 630 . 1 1 55 55 PHE CE2 C 13 130.082 0.141 . 3 . . . A 55 PHE CE2 . 19511 1 631 . 1 1 55 55 PHE N N 15 118.279 0.102 . 1 . . . A 55 PHE N . 19511 1 632 . 1 1 56 56 GLN H H 1 7.994 0.023 . 1 . . . A 56 GLN H . 19511 1 633 . 1 1 56 56 GLN HA H 1 4.036 0.023 . 1 . . . A 56 GLN HA . 19511 1 634 . 1 1 56 56 GLN HB2 H 1 2.238 0.023 . 2 . . . A 56 GLN HB2 . 19511 1 635 . 1 1 56 56 GLN HB3 H 1 2.494 0.023 . 2 . . . A 56 GLN HB3 . 19511 1 636 . 1 1 56 56 GLN HG2 H 1 2.765 0.023 . 2 . . . A 56 GLN QG . 19511 1 637 . 1 1 56 56 GLN HG3 H 1 2.765 0.023 . 2 . . . A 56 GLN QG . 19511 1 638 . 1 1 56 56 GLN HE21 H 1 8.173 0.023 . 2 . . . A 56 GLN HE21 . 19511 1 639 . 1 1 56 56 GLN HE22 H 1 6.998 0.023 . 2 . . . A 56 GLN HE22 . 19511 1 640 . 1 1 56 56 GLN CA C 13 57.329 0.141 . 1 . . . A 56 GLN CA . 19511 1 641 . 1 1 56 56 GLN CB C 13 25.312 0.141 . 1 . . . A 56 GLN CB . 19511 1 642 . 1 1 56 56 GLN CG C 13 32.371 0.141 . 1 . . . A 56 GLN CG . 19511 1 643 . 1 1 56 56 GLN N N 15 117.830 0.102 . 1 . . . A 56 GLN N . 19511 1 644 . 1 1 56 56 GLN NE2 N 15 112.469 0.102 . 1 . . . A 56 GLN NE2 . 19511 1 645 . 1 1 57 57 ASN H H 1 8.715 0.023 . 1 . . . A 57 ASN H . 19511 1 646 . 1 1 57 57 ASN HA H 1 4.632 0.023 . 1 . . . A 57 ASN HA . 19511 1 647 . 1 1 57 57 ASN HB2 H 1 2.956 0.023 . 2 . . . A 57 ASN HB2 . 19511 1 648 . 1 1 57 57 ASN HB3 H 1 2.586 0.023 . 2 . . . A 57 ASN HB3 . 19511 1 649 . 1 1 57 57 ASN HD21 H 1 9.043 0.023 . 2 . . . A 57 ASN HD21 . 19511 1 650 . 1 1 57 57 ASN HD22 H 1 8.513 0.023 . 2 . . . A 57 ASN HD22 . 19511 1 651 . 1 1 57 57 ASN CA C 13 55.637 0.141 . 1 . . . A 57 ASN CA . 19511 1 652 . 1 1 57 57 ASN CB C 13 35.824 0.141 . 1 . . . A 57 ASN CB . 19511 1 653 . 1 1 57 57 ASN N N 15 119.840 0.102 . 1 . . . A 57 ASN N . 19511 1 654 . 1 1 57 57 ASN ND2 N 15 123.741 0.102 . 1 . . . A 57 ASN ND2 . 19511 1 655 . 1 1 58 58 ARG H H 1 8.806 0.023 . 1 . . . A 58 ARG H . 19511 1 656 . 1 1 58 58 ARG HA H 1 3.656 0.023 . 1 . . . A 58 ARG HA . 19511 1 657 . 1 1 58 58 ARG HB2 H 1 -0.455 0.023 . 2 . . . A 58 ARG HB2 . 19511 1 658 . 1 1 58 58 ARG HB3 H 1 0.578 0.023 . 2 . . . A 58 ARG HB3 . 19511 1 659 . 1 1 58 58 ARG HG2 H 1 -0.686 0.023 . 2 . . . A 58 ARG HG2 . 19511 1 660 . 1 1 58 58 ARG HG3 H 1 -0.201 0.023 . 2 . . . A 58 ARG HG3 . 19511 1 661 . 1 1 58 58 ARG CA C 13 53.865 0.141 . 1 . . . A 58 ARG CA . 19511 1 662 . 1 1 58 58 ARG CB C 13 25.436 0.141 . 1 . . . A 58 ARG CB . 19511 1 663 . 1 1 58 58 ARG CG C 13 21.098 0.141 . 1 . . . A 58 ARG CG . 19511 1 664 . 1 1 58 58 ARG N N 15 125.366 0.102 . 1 . . . A 58 ARG N . 19511 1 665 . 1 1 59 59 ARG H H 1 8.345 0.023 . 1 . . . A 59 ARG H . 19511 1 666 . 1 1 59 59 ARG HB2 H 1 2.414 0.023 . 2 . . . A 59 ARG HB2 . 19511 1 667 . 1 1 59 59 ARG HG3 H 1 2.353 0.023 . 2 . . . A 59 ARG HG3 . 19511 1 668 . 1 1 59 59 ARG CB C 13 29.582 0.141 . 1 . . . A 59 ARG CB . 19511 1 669 . 1 1 59 59 ARG CG C 13 29.707 0.141 . 1 . . . A 59 ARG CG . 19511 1 670 . 1 1 59 59 ARG N N 15 120.172 0.102 . 1 . . . A 59 ARG N . 19511 1 671 . 1 1 60 60 ALA H H 1 7.587 0.023 . 1 . . . A 60 ALA H . 19511 1 672 . 1 1 60 60 ALA HA H 1 4.420 0.023 . 1 . . . A 60 ALA HA . 19511 1 673 . 1 1 60 60 ALA HB1 H 1 1.701 0.023 . 1 . . . A 60 ALA QB . 19511 1 674 . 1 1 60 60 ALA HB2 H 1 1.701 0.023 . 1 . . . A 60 ALA QB . 19511 1 675 . 1 1 60 60 ALA HB3 H 1 1.701 0.023 . 1 . . . A 60 ALA QB . 19511 1 676 . 1 1 60 60 ALA CA C 13 53.005 0.141 . 1 . . . A 60 ALA CA . 19511 1 677 . 1 1 60 60 ALA CB C 13 15.567 0.141 . 1 . . . A 60 ALA CB . 19511 1 678 . 1 1 60 60 ALA N N 15 122.418 0.102 . 1 . . . A 60 ALA N . 19511 1 679 . 1 1 61 61 LYS H H 1 7.856 0.023 . 1 . . . A 61 LYS H . 19511 1 680 . 1 1 61 61 LYS HA H 1 4.003 0.023 . 1 . . . A 61 LYS HA . 19511 1 681 . 1 1 61 61 LYS HB2 H 1 1.849 0.023 . 2 . . . A 61 LYS HB2 . 19511 1 682 . 1 1 61 61 LYS HB3 H 1 2.004 0.023 . 2 . . . A 61 LYS HB3 . 19511 1 683 . 1 1 61 61 LYS HG2 H 1 1.501 0.023 . 2 . . . A 61 LYS HG2 . 19511 1 684 . 1 1 61 61 LYS HG3 H 1 1.279 0.023 . 2 . . . A 61 LYS HG3 . 19511 1 685 . 1 1 61 61 LYS HD2 H 1 1.728 0.023 . 2 . . . A 61 LYS HD2 . 19511 1 686 . 1 1 61 61 LYS HD3 H 1 1.531 0.023 . 2 . . . A 61 LYS HD3 . 19511 1 687 . 1 1 61 61 LYS HE2 H 1 2.895 0.023 . 2 . . . A 61 LYS QE . 19511 1 688 . 1 1 61 61 LYS HE3 H 1 2.895 0.023 . 2 . . . A 61 LYS QE . 19511 1 689 . 1 1 61 61 LYS CA C 13 57.164 0.141 . 1 . . . A 61 LYS CA . 19511 1 690 . 1 1 61 61 LYS CB C 13 30.390 0.141 . 1 . . . A 61 LYS CB . 19511 1 691 . 1 1 61 61 LYS CG C 13 22.738 0.141 . 1 . . . A 61 LYS CG . 19511 1 692 . 1 1 61 61 LYS CD C 13 27.664 0.141 . 1 . . . A 61 LYS CD . 19511 1 693 . 1 1 61 61 LYS CE C 13 39.685 0.141 . 1 . . . A 61 LYS CE . 19511 1 694 . 1 1 61 61 LYS N N 15 119.912 0.102 . 1 . . . A 61 LYS N . 19511 1 695 . 1 1 62 62 TRP H H 1 8.265 0.023 . 1 . . . A 62 TRP H . 19511 1 696 . 1 1 62 62 TRP HA H 1 4.535 0.023 . 1 . . . A 62 TRP HA . 19511 1 697 . 1 1 62 62 TRP HB2 H 1 3.424 0.023 . 2 . . . A 62 TRP HB2 . 19511 1 698 . 1 1 62 62 TRP HB3 H 1 3.934 0.023 . 2 . . . A 62 TRP HB3 . 19511 1 699 . 1 1 62 62 TRP HD1 H 1 7.527 0.023 . 1 . . . A 62 TRP HD1 . 19511 1 700 . 1 1 62 62 TRP HE1 H 1 10.390 0.023 . 1 . . . A 62 TRP HE1 . 19511 1 701 . 1 1 62 62 TRP HE3 H 1 7.832 0.023 . 1 . . . A 62 TRP HE3 . 19511 1 702 . 1 1 62 62 TRP HZ2 H 1 7.591 0.023 . 1 . . . A 62 TRP HZ2 . 19511 1 703 . 1 1 62 62 TRP HZ3 H 1 7.246 0.023 . 1 . . . A 62 TRP HZ3 . 19511 1 704 . 1 1 62 62 TRP HH2 H 1 7.350 0.023 . 1 . . . A 62 TRP HH2 . 19511 1 705 . 1 1 62 62 TRP CA C 13 57.359 0.141 . 1 . . . A 62 TRP CA . 19511 1 706 . 1 1 62 62 TRP CB C 13 27.020 0.141 . 1 . . . A 62 TRP CB . 19511 1 707 . 1 1 62 62 TRP CD1 C 13 124.904 0.141 . 1 . . . A 62 TRP CD1 . 19511 1 708 . 1 1 62 62 TRP CE3 C 13 118.045 0.141 . 1 . . . A 62 TRP CE3 . 19511 1 709 . 1 1 62 62 TRP CZ2 C 13 112.242 0.141 . 1 . . . A 62 TRP CZ2 . 19511 1 710 . 1 1 62 62 TRP CZ3 C 13 119.526 0.141 . 1 . . . A 62 TRP CZ3 . 19511 1 711 . 1 1 62 62 TRP CH2 C 13 122.271 0.141 . 1 . . . A 62 TRP CH2 . 19511 1 712 . 1 1 62 62 TRP N N 15 119.782 0.102 . 1 . . . A 62 TRP N . 19511 1 713 . 1 1 62 62 TRP NE1 N 15 130.137 0.102 . 1 . . . A 62 TRP NE1 . 19511 1 714 . 1 1 63 63 LYS H H 1 8.262 0.023 . 1 . . . A 63 LYS H . 19511 1 715 . 1 1 63 63 LYS HA H 1 3.713 0.023 . 1 . . . A 63 LYS HA . 19511 1 716 . 1 1 63 63 LYS HB2 H 1 2.005 0.023 . 2 . . . A 63 LYS HB2 . 19511 1 717 . 1 1 63 63 LYS HB3 H 1 2.046 0.023 . 2 . . . A 63 LYS HB3 . 19511 1 718 . 1 1 63 63 LYS HG2 H 1 1.693 0.023 . 2 . . . A 63 LYS HG2 . 19511 1 719 . 1 1 63 63 LYS HG3 H 1 1.470 0.023 . 2 . . . A 63 LYS HG3 . 19511 1 720 . 1 1 63 63 LYS HD2 H 1 1.782 0.023 . 2 . . . A 63 LYS QD . 19511 1 721 . 1 1 63 63 LYS HD3 H 1 1.782 0.023 . 2 . . . A 63 LYS QD . 19511 1 722 . 1 1 63 63 LYS HE2 H 1 3.059 0.023 . 2 . . . A 63 LYS QE . 19511 1 723 . 1 1 63 63 LYS HE3 H 1 3.059 0.023 . 2 . . . A 63 LYS QE . 19511 1 724 . 1 1 63 63 LYS CA C 13 56.518 0.141 . 1 . . . A 63 LYS CA . 19511 1 725 . 1 1 63 63 LYS CB C 13 30.224 0.141 . 1 . . . A 63 LYS CB . 19511 1 726 . 1 1 63 63 LYS CG C 13 23.199 0.141 . 1 . . . A 63 LYS CG . 19511 1 727 . 1 1 63 63 LYS CD C 13 26.819 0.141 . 1 . . . A 63 LYS CD . 19511 1 728 . 1 1 63 63 LYS CE C 13 40.021 0.141 . 1 . . . A 63 LYS CE . 19511 1 729 . 1 1 63 63 LYS N N 15 117.139 0.102 . 1 . . . A 63 LYS N . 19511 1 730 . 1 1 64 64 ARG H H 1 7.737 0.023 . 1 . . . A 64 ARG H . 19511 1 731 . 1 1 64 64 ARG HA H 1 4.192 0.023 . 1 . . . A 64 ARG HA . 19511 1 732 . 1 1 64 64 ARG HB2 H 1 1.962 0.023 . 2 . . . A 64 ARG HB2 . 19511 1 733 . 1 1 64 64 ARG HB3 H 1 2.058 0.023 . 2 . . . A 64 ARG HB3 . 19511 1 734 . 1 1 64 64 ARG HG2 H 1 1.894 0.023 . 2 . . . A 64 ARG HG2 . 19511 1 735 . 1 1 64 64 ARG HG3 H 1 1.670 0.023 . 2 . . . A 64 ARG HG3 . 19511 1 736 . 1 1 64 64 ARG HD2 H 1 3.339 0.023 . 2 . . . A 64 ARG QD . 19511 1 737 . 1 1 64 64 ARG HD3 H 1 3.339 0.023 . 2 . . . A 64 ARG QD . 19511 1 738 . 1 1 64 64 ARG CA C 13 56.249 0.141 . 1 . . . A 64 ARG CA . 19511 1 739 . 1 1 64 64 ARG CB C 13 28.227 0.141 . 1 . . . A 64 ARG CB . 19511 1 740 . 1 1 64 64 ARG CG C 13 25.551 0.141 . 1 . . . A 64 ARG CG . 19511 1 741 . 1 1 64 64 ARG CD C 13 41.391 0.141 . 1 . . . A 64 ARG CD . 19511 1 742 . 1 1 64 64 ARG N N 15 118.868 0.102 . 1 . . . A 64 ARG N . 19511 1 743 . 1 1 65 65 ILE H H 1 8.010 0.023 . 1 . . . A 65 ILE H . 19511 1 744 . 1 1 65 65 ILE HA H 1 4.012 0.023 . 1 . . . A 65 ILE HA . 19511 1 745 . 1 1 65 65 ILE HB H 1 1.995 0.023 . 1 . . . A 65 ILE HB . 19511 1 746 . 1 1 65 65 ILE HG12 H 1 1.611 0.023 . 2 . . . A 65 ILE HG12 . 19511 1 747 . 1 1 65 65 ILE HG13 H 1 1.326 0.023 . 2 . . . A 65 ILE HG13 . 19511 1 748 . 1 1 65 65 ILE HG21 H 1 0.938 0.023 . 1 . . . A 65 ILE QG2 . 19511 1 749 . 1 1 65 65 ILE HG22 H 1 0.938 0.023 . 1 . . . A 65 ILE QG2 . 19511 1 750 . 1 1 65 65 ILE HG23 H 1 0.938 0.023 . 1 . . . A 65 ILE QG2 . 19511 1 751 . 1 1 65 65 ILE HD11 H 1 0.885 0.023 . 1 . . . A 65 ILE QD1 . 19511 1 752 . 1 1 65 65 ILE HD12 H 1 0.885 0.023 . 1 . . . A 65 ILE QD1 . 19511 1 753 . 1 1 65 65 ILE HD13 H 1 0.885 0.023 . 1 . . . A 65 ILE QD1 . 19511 1 754 . 1 1 65 65 ILE CA C 13 60.187 0.141 . 1 . . . A 65 ILE CA . 19511 1 755 . 1 1 65 65 ILE CB C 13 35.588 0.141 . 1 . . . A 65 ILE CB . 19511 1 756 . 1 1 65 65 ILE CG1 C 13 25.804 0.141 . 1 . . . A 65 ILE CG1 . 19511 1 757 . 1 1 65 65 ILE CG2 C 13 15.004 0.141 . 1 . . . A 65 ILE CG2 . 19511 1 758 . 1 1 65 65 ILE CD1 C 13 10.644 0.141 . 1 . . . A 65 ILE CD1 . 19511 1 759 . 1 1 65 65 ILE N N 15 119.744 0.102 . 1 . . . A 65 ILE N . 19511 1 760 . 1 1 66 66 LYS H H 1 8.055 0.023 . 1 . . . A 66 LYS H . 19511 1 761 . 1 1 66 66 LYS HA H 1 4.106 0.023 . 1 . . . A 66 LYS HA . 19511 1 762 . 1 1 66 66 LYS HB2 H 1 1.643 0.023 . 2 . . . A 66 LYS HB2 . 19511 1 763 . 1 1 66 66 LYS HB3 H 1 1.598 0.023 . 2 . . . A 66 LYS HB3 . 19511 1 764 . 1 1 66 66 LYS HG2 H 1 1.207 0.023 . 2 . . . A 66 LYS HG2 . 19511 1 765 . 1 1 66 66 LYS HG3 H 1 1.239 0.023 . 2 . . . A 66 LYS HG3 . 19511 1 766 . 1 1 66 66 LYS HD2 H 1 1.418 0.023 . 2 . . . A 66 LYS HD2 . 19511 1 767 . 1 1 66 66 LYS HD3 H 1 1.386 0.023 . 2 . . . A 66 LYS HD3 . 19511 1 768 . 1 1 66 66 LYS CA C 13 54.657 0.141 . 1 . . . A 66 LYS CA . 19511 1 769 . 1 1 66 66 LYS CB C 13 29.634 0.141 . 1 . . . A 66 LYS CB . 19511 1 770 . 1 1 66 66 LYS CG C 13 21.791 0.141 . 1 . . . A 66 LYS CG . 19511 1 771 . 1 1 66 66 LYS CD C 13 26.413 0.141 . 1 . . . A 66 LYS CD . 19511 1 772 . 1 1 66 66 LYS N N 15 122.316 0.102 . 1 . . . A 66 LYS N . 19511 1 773 . 1 1 67 67 ALA H H 1 7.846 0.023 . 1 . . . A 67 ALA H . 19511 1 774 . 1 1 67 67 ALA HA H 1 4.291 0.023 . 1 . . . A 67 ALA HA . 19511 1 775 . 1 1 67 67 ALA HB1 H 1 1.460 0.023 . 1 . . . A 67 ALA QB . 19511 1 776 . 1 1 67 67 ALA HB2 H 1 1.460 0.023 . 1 . . . A 67 ALA QB . 19511 1 777 . 1 1 67 67 ALA HB3 H 1 1.460 0.023 . 1 . . . A 67 ALA QB . 19511 1 778 . 1 1 67 67 ALA CA C 13 50.463 0.141 . 1 . . . A 67 ALA CA . 19511 1 779 . 1 1 67 67 ALA CB C 13 16.535 0.141 . 1 . . . A 67 ALA CB . 19511 1 780 . 1 1 67 67 ALA N N 15 122.520 0.102 . 1 . . . A 67 ALA N . 19511 1 781 . 1 1 68 68 GLY H H 1 8.053 0.023 . 1 . . . A 68 GLY H . 19511 1 782 . 1 1 68 68 GLY HA2 H 1 4.006 0.023 . 2 . . . A 68 GLY QA . 19511 1 783 . 1 1 68 68 GLY HA3 H 1 4.006 0.023 . 2 . . . A 68 GLY QA . 19511 1 784 . 1 1 68 68 GLY CA C 13 42.991 0.141 . 1 . . . A 68 GLY CA . 19511 1 785 . 1 1 68 68 GLY N N 15 106.371 0.102 . 1 . . . A 68 GLY N . 19511 1 786 . 1 1 69 69 ASN H H 1 8.166 0.023 . 1 . . . A 69 ASN H . 19511 1 787 . 1 1 69 69 ASN HA H 1 4.832 0.023 . 1 . . . A 69 ASN HA . 19511 1 788 . 1 1 69 69 ASN HB2 H 1 2.785 0.023 . 2 . . . A 69 ASN HB2 . 19511 1 789 . 1 1 69 69 ASN HB3 H 1 2.906 0.023 . 2 . . . A 69 ASN HB3 . 19511 1 790 . 1 1 69 69 ASN HD21 H 1 6.912 0.023 . 2 . . . A 69 ASN HD21 . 19511 1 791 . 1 1 69 69 ASN HD22 H 1 7.570 0.023 . 2 . . . A 69 ASN HD22 . 19511 1 792 . 1 1 69 69 ASN CA C 13 50.749 0.141 . 1 . . . A 69 ASN CA . 19511 1 793 . 1 1 69 69 ASN CB C 13 36.737 0.141 . 1 . . . A 69 ASN CB . 19511 1 794 . 1 1 69 69 ASN N N 15 118.766 0.102 . 1 . . . A 69 ASN N . 19511 1 795 . 1 1 69 69 ASN ND2 N 15 112.594 0.102 . 1 . . . A 69 ASN ND2 . 19511 1 796 . 1 1 70 70 VAL H H 1 8.087 0.023 . 1 . . . A 70 VAL H . 19511 1 797 . 1 1 70 70 VAL HA H 1 4.265 0.023 . 1 . . . A 70 VAL HA . 19511 1 798 . 1 1 70 70 VAL HB H 1 2.210 0.023 . 1 . . . A 70 VAL HB . 19511 1 799 . 1 1 70 70 VAL HG11 H 1 0.991 0.023 . 1 . . . A 70 VAL QG1 . 19511 1 800 . 1 1 70 70 VAL HG12 H 1 0.991 0.023 . 1 . . . A 70 VAL QG1 . 19511 1 801 . 1 1 70 70 VAL HG13 H 1 0.991 0.023 . 1 . . . A 70 VAL QG1 . 19511 1 802 . 1 1 70 70 VAL HG21 H 1 0.977 0.023 . 1 . . . A 70 VAL QG2 . 19511 1 803 . 1 1 70 70 VAL HG22 H 1 0.977 0.023 . 1 . . . A 70 VAL QG2 . 19511 1 804 . 1 1 70 70 VAL HG23 H 1 0.977 0.023 . 1 . . . A 70 VAL QG2 . 19511 1 805 . 1 1 70 70 VAL CA C 13 59.765 0.141 . 1 . . . A 70 VAL CA . 19511 1 806 . 1 1 70 70 VAL CB C 13 30.482 0.141 . 1 . . . A 70 VAL CB . 19511 1 807 . 1 1 70 70 VAL CG1 C 13 18.943 0.141 . 2 . . . A 70 VAL CG1 . 19511 1 808 . 1 1 70 70 VAL CG2 C 13 17.737 0.141 . 2 . . . A 70 VAL CG2 . 19511 1 809 . 1 1 70 70 VAL N N 15 119.471 0.102 . 1 . . . A 70 VAL N . 19511 1 810 . 1 1 71 71 SER H H 1 7.950 0.023 . 1 . . . A 71 SER H . 19511 1 811 . 1 1 71 71 SER HA H 1 4.329 0.023 . 1 . . . A 71 SER HA . 19511 1 812 . 1 1 71 71 SER HB2 H 1 3.887 0.023 . 2 . . . A 71 SER QB . 19511 1 813 . 1 1 71 71 SER HB3 H 1 3.887 0.023 . 2 . . . A 71 SER QB . 19511 1 814 . 1 1 71 71 SER CA C 13 57.378 0.141 . 1 . . . A 71 SER CA . 19511 1 815 . 1 1 71 71 SER CB C 13 62.424 0.141 . 1 . . . A 71 SER CB . 19511 1 816 . 1 1 71 71 SER N N 15 124.453 0.102 . 1 . . . A 71 SER N . 19511 1 stop_ save_