data_11244 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11244 _Entry.Title ; Solution structure of the first SANT domain from human nuclear receptor corepressor 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Zhang . . . 11244 2 F. Hayahsi . . . 11244 3 S. Yokoyama . . . 11244 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11244 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11244 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 11244 '15N chemical shifts' 59 11244 '1H chemical shifts' 416 11244 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 . . 2011-08-03 2010-07-23 original author . 11244 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EQR 'BMRB Entry Tracking System' 11244 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11244 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the first SANT domain from human nuclear receptor corepressor 1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Zhang . . . 11244 1 2 F. Hayashi . . . 11244 1 3 S. Yokoyama . . . 11244 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11244 _Assembly.ID 1 _Assembly.Name 'Nuclear receptor corepressor 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Sant domain' 1 $entity_1 A . yes native no no . . . 11244 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 yes PDB 2eqr . . . . . . 11244 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11244 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Sant domain' _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 ; GSSGSSGDRQFMNVWTDHEK EIFKDKFIQHPKNFGLIASY LERKSVPDCVLYYYLTKKNE N ; _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 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2EQR . "Solution Structure Of The First Sant Domain From Human Nuclear Receptor Corepressor 1" . . . . . 100.00 61 100.00 100.00 3.59e-37 . . . . 11244 1 2 no GB AAH26028 . "NCOR1 protein, partial [Homo sapiens]" . . . . . 88.52 541 100.00 100.00 8.66e-31 . . . . 11244 1 3 no GB AAH26623 . "Ncor1 protein, partial [Mus musculus]" . . . . . 88.52 518 100.00 100.00 7.65e-31 . . . . 11244 1 4 no GB AAH29627 . "Ncor1 protein, partial [Mus musculus]" . . . . . 88.52 534 100.00 100.00 7.15e-31 . . . . 11244 1 5 no GB AAH50594 . "NCOR1 protein, partial [Homo sapiens]" . . . . . 88.52 550 100.00 100.00 7.99e-31 . . . . 11244 1 6 no GB AAH56862 . "NCOR1 protein, partial [Homo sapiens]" . . . . . 88.52 518 100.00 100.00 9.08e-31 . . . . 11244 1 7 no REF NP_001177367 . "nuclear receptor corepressor 1 isoform 2 [Homo sapiens]" . . . . . 88.52 914 100.00 100.00 3.76e-28 . . . . 11244 1 8 no REF NP_001258032 . "nuclear receptor corepressor 1 [Rattus norvegicus]" . . . . . 88.52 2414 100.00 100.00 1.98e-29 . . . . 11244 1 9 no REF XP_003912439 . "PREDICTED: nuclear receptor corepressor 1-like isoform X1 [Papio anubis]" . . . . . 88.52 527 100.00 100.00 2.23e-30 . . . . 11244 1 10 no REF XP_004042267 . "PREDICTED: nuclear receptor corepressor 1-like [Gorilla gorilla gorilla]" . . . . . 88.52 504 100.00 100.00 7.13e-31 . . . . 11244 1 11 no REF XP_004376019 . "PREDICTED: nuclear receptor corepressor 1 isoform X2 [Trichechus manatus latirostris]" . . . . . 88.52 912 98.15 98.15 6.46e-27 . . . . 11244 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Sant domain' . 11244 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11244 1 2 . SER . 11244 1 3 . SER . 11244 1 4 . GLY . 11244 1 5 . SER . 11244 1 6 . SER . 11244 1 7 . GLY . 11244 1 8 . ASP . 11244 1 9 . ARG . 11244 1 10 . GLN . 11244 1 11 . PHE . 11244 1 12 . MET . 11244 1 13 . ASN . 11244 1 14 . VAL . 11244 1 15 . TRP . 11244 1 16 . THR . 11244 1 17 . ASP . 11244 1 18 . HIS . 11244 1 19 . GLU . 11244 1 20 . LYS . 11244 1 21 . GLU . 11244 1 22 . ILE . 11244 1 23 . PHE . 11244 1 24 . LYS . 11244 1 25 . ASP . 11244 1 26 . LYS . 11244 1 27 . PHE . 11244 1 28 . ILE . 11244 1 29 . GLN . 11244 1 30 . HIS . 11244 1 31 . PRO . 11244 1 32 . LYS . 11244 1 33 . ASN . 11244 1 34 . PHE . 11244 1 35 . GLY . 11244 1 36 . LEU . 11244 1 37 . ILE . 11244 1 38 . ALA . 11244 1 39 . SER . 11244 1 40 . TYR . 11244 1 41 . LEU . 11244 1 42 . GLU . 11244 1 43 . ARG . 11244 1 44 . LYS . 11244 1 45 . SER . 11244 1 46 . VAL . 11244 1 47 . PRO . 11244 1 48 . ASP . 11244 1 49 . CYS . 11244 1 50 . VAL . 11244 1 51 . LEU . 11244 1 52 . TYR . 11244 1 53 . TYR . 11244 1 54 . TYR . 11244 1 55 . LEU . 11244 1 56 . THR . 11244 1 57 . LYS . 11244 1 58 . LYS . 11244 1 59 . ASN . 11244 1 60 . GLU . 11244 1 61 . ASN . 11244 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11244 1 . SER 2 2 11244 1 . SER 3 3 11244 1 . GLY 4 4 11244 1 . SER 5 5 11244 1 . SER 6 6 11244 1 . GLY 7 7 11244 1 . ASP 8 8 11244 1 . ARG 9 9 11244 1 . GLN 10 10 11244 1 . PHE 11 11 11244 1 . MET 12 12 11244 1 . ASN 13 13 11244 1 . VAL 14 14 11244 1 . TRP 15 15 11244 1 . THR 16 16 11244 1 . ASP 17 17 11244 1 . HIS 18 18 11244 1 . GLU 19 19 11244 1 . LYS 20 20 11244 1 . GLU 21 21 11244 1 . ILE 22 22 11244 1 . PHE 23 23 11244 1 . LYS 24 24 11244 1 . ASP 25 25 11244 1 . LYS 26 26 11244 1 . PHE 27 27 11244 1 . ILE 28 28 11244 1 . GLN 29 29 11244 1 . HIS 30 30 11244 1 . PRO 31 31 11244 1 . LYS 32 32 11244 1 . ASN 33 33 11244 1 . PHE 34 34 11244 1 . GLY 35 35 11244 1 . LEU 36 36 11244 1 . ILE 37 37 11244 1 . ALA 38 38 11244 1 . SER 39 39 11244 1 . TYR 40 40 11244 1 . LEU 41 41 11244 1 . GLU 42 42 11244 1 . ARG 43 43 11244 1 . LYS 44 44 11244 1 . SER 45 45 11244 1 . VAL 46 46 11244 1 . PRO 47 47 11244 1 . ASP 48 48 11244 1 . CYS 49 49 11244 1 . VAL 50 50 11244 1 . LEU 51 51 11244 1 . TYR 52 52 11244 1 . TYR 53 53 11244 1 . TYR 54 54 11244 1 . LEU 55 55 11244 1 . THR 56 56 11244 1 . LYS 57 57 11244 1 . LYS 58 58 11244 1 . ASN 59 59 11244 1 . GLU 60 60 11244 1 . ASN 61 61 11244 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 11244 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11244 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 11244 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P061225-49 . . . . . . 11244 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11244 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.14mM 13C, 15N-labeled {protein;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3, 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'Sant domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.14 . . mM . . . . 11244 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11244 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11244 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11244 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11244 1 6 H2O . . . . . . solvent 90 . . % . . . . 11244 1 7 D2O . . . . . . solvent 10 . . % . . . . 11244 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11244 _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' 120 0.1 mM 11244 1 pH 7.0 0.05 pH 11244 1 pressure 1 0.001 atm 11244 1 temperature 293 0.1 K 11244 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11244 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11244 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11244 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11244 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11244 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11244 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11244 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11244 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11244 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11244 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9818 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11244 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11244 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11244 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11244 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11244 5 'structure solution' 11244 5 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 11244 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11244 _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 Varian INOVA . 800 . . . 11244 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 11244 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11244 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11244 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11244 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11244 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11244 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11244 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11244 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11244 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11244 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11244 1 2 $NMRPipe . . 11244 1 3 $NMRVIEW . . 11244 1 4 $Kujira . . 11244 1 5 $CYANA . . 11244 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 6 6 SER HA H 1 4.442 0.030 . 1 . . . . 6 SER HA . 11244 1 2 . 1 1 6 6 SER HB2 H 1 3.931 0.030 . 2 . . . . 6 SER HB2 . 11244 1 3 . 1 1 6 6 SER HB3 H 1 3.887 0.030 . 2 . . . . 6 SER HB3 . 11244 1 4 . 1 1 6 6 SER C C 13 175.303 0.300 . 1 . . . . 6 SER C . 11244 1 5 . 1 1 6 6 SER CA C 13 58.908 0.300 . 1 . . . . 6 SER CA . 11244 1 6 . 1 1 6 6 SER CB C 13 63.718 0.300 . 1 . . . . 6 SER CB . 11244 1 7 . 1 1 7 7 GLY H H 1 8.444 0.030 . 1 . . . . 7 GLY H . 11244 1 8 . 1 1 7 7 GLY HA2 H 1 3.970 0.030 . 1 . . . . 7 GLY HA2 . 11244 1 9 . 1 1 7 7 GLY HA3 H 1 3.970 0.030 . 1 . . . . 7 GLY HA3 . 11244 1 10 . 1 1 7 7 GLY C C 13 174.249 0.300 . 1 . . . . 7 GLY C . 11244 1 11 . 1 1 7 7 GLY CA C 13 45.592 0.300 . 1 . . . . 7 GLY CA . 11244 1 12 . 1 1 7 7 GLY N N 15 110.716 0.300 . 1 . . . . 7 GLY N . 11244 1 13 . 1 1 8 8 ASP H H 1 8.211 0.030 . 1 . . . . 8 ASP H . 11244 1 14 . 1 1 8 8 ASP HA H 1 4.581 0.030 . 1 . . . . 8 ASP HA . 11244 1 15 . 1 1 8 8 ASP HB2 H 1 2.728 0.030 . 2 . . . . 8 ASP HB2 . 11244 1 16 . 1 1 8 8 ASP HB3 H 1 2.667 0.030 . 2 . . . . 8 ASP HB3 . 11244 1 17 . 1 1 8 8 ASP C C 13 176.790 0.300 . 1 . . . . 8 ASP C . 11244 1 18 . 1 1 8 8 ASP CA C 13 54.731 0.300 . 1 . . . . 8 ASP CA . 11244 1 19 . 1 1 8 8 ASP CB C 13 41.092 0.300 . 1 . . . . 8 ASP CB . 11244 1 20 . 1 1 8 8 ASP N N 15 120.671 0.300 . 1 . . . . 8 ASP N . 11244 1 21 . 1 1 9 9 ARG H H 1 8.286 0.030 . 1 . . . . 9 ARG H . 11244 1 22 . 1 1 9 9 ARG HA H 1 4.232 0.030 . 1 . . . . 9 ARG HA . 11244 1 23 . 1 1 9 9 ARG HB2 H 1 1.765 0.030 . 2 . . . . 9 ARG HB2 . 11244 1 24 . 1 1 9 9 ARG HB3 H 1 1.852 0.030 . 2 . . . . 9 ARG HB3 . 11244 1 25 . 1 1 9 9 ARG HD2 H 1 3.190 0.030 . 1 . . . . 9 ARG HD2 . 11244 1 26 . 1 1 9 9 ARG HD3 H 1 3.190 0.030 . 1 . . . . 9 ARG HD3 . 11244 1 27 . 1 1 9 9 ARG HG2 H 1 1.595 0.030 . 2 . . . . 9 ARG HG2 . 11244 1 28 . 1 1 9 9 ARG HG3 H 1 1.644 0.030 . 2 . . . . 9 ARG HG3 . 11244 1 29 . 1 1 9 9 ARG C C 13 176.720 0.300 . 1 . . . . 9 ARG C . 11244 1 30 . 1 1 9 9 ARG CA C 13 56.721 0.300 . 1 . . . . 9 ARG CA . 11244 1 31 . 1 1 9 9 ARG CB C 13 30.302 0.300 . 1 . . . . 9 ARG CB . 11244 1 32 . 1 1 9 9 ARG CD C 13 43.297 0.300 . 1 . . . . 9 ARG CD . 11244 1 33 . 1 1 9 9 ARG CG C 13 27.094 0.300 . 1 . . . . 9 ARG CG . 11244 1 34 . 1 1 9 9 ARG N N 15 121.099 0.300 . 1 . . . . 9 ARG N . 11244 1 35 . 1 1 10 10 GLN H H 1 8.330 0.030 . 1 . . . . 10 GLN H . 11244 1 36 . 1 1 10 10 GLN HA H 1 4.183 0.030 . 1 . . . . 10 GLN HA . 11244 1 37 . 1 1 10 10 GLN HB2 H 1 1.934 0.030 . 1 . . . . 10 GLN HB2 . 11244 1 38 . 1 1 10 10 GLN HB3 H 1 1.934 0.030 . 1 . . . . 10 GLN HB3 . 11244 1 39 . 1 1 10 10 GLN HE21 H 1 7.520 0.030 . 2 . . . . 10 GLN HE21 . 11244 1 40 . 1 1 10 10 GLN HE22 H 1 6.848 0.030 . 2 . . . . 10 GLN HE22 . 11244 1 41 . 1 1 10 10 GLN HG2 H 1 2.176 0.030 . 1 . . . . 10 GLN HG2 . 11244 1 42 . 1 1 10 10 GLN HG3 H 1 2.176 0.030 . 1 . . . . 10 GLN HG3 . 11244 1 43 . 1 1 10 10 GLN C C 13 176.217 0.300 . 1 . . . . 10 GLN C . 11244 1 44 . 1 1 10 10 GLN CA C 13 56.617 0.300 . 1 . . . . 10 GLN CA . 11244 1 45 . 1 1 10 10 GLN CB C 13 29.024 0.300 . 1 . . . . 10 GLN CB . 11244 1 46 . 1 1 10 10 GLN CG C 13 33.742 0.300 . 1 . . . . 10 GLN CG . 11244 1 47 . 1 1 10 10 GLN N N 15 120.229 0.300 . 1 . . . . 10 GLN N . 11244 1 48 . 1 1 10 10 GLN NE2 N 15 112.551 0.300 . 1 . . . . 10 GLN NE2 . 11244 1 49 . 1 1 11 11 PHE H H 1 8.155 0.030 . 1 . . . . 11 PHE H . 11244 1 50 . 1 1 11 11 PHE HA H 1 4.612 0.030 . 1 . . . . 11 PHE HA . 11244 1 51 . 1 1 11 11 PHE HB2 H 1 3.066 0.030 . 2 . . . . 11 PHE HB2 . 11244 1 52 . 1 1 11 11 PHE HB3 H 1 3.197 0.030 . 2 . . . . 11 PHE HB3 . 11244 1 53 . 1 1 11 11 PHE HD1 H 1 7.272 0.030 . 1 . . . . 11 PHE HD1 . 11244 1 54 . 1 1 11 11 PHE HD2 H 1 7.272 0.030 . 1 . . . . 11 PHE HD2 . 11244 1 55 . 1 1 11 11 PHE HE1 H 1 7.368 0.030 . 1 . . . . 11 PHE HE1 . 11244 1 56 . 1 1 11 11 PHE HE2 H 1 7.368 0.030 . 1 . . . . 11 PHE HE2 . 11244 1 57 . 1 1 11 11 PHE HZ H 1 6.668 0.030 . 1 . . . . 11 PHE HZ . 11244 1 58 . 1 1 11 11 PHE C C 13 175.921 0.300 . 1 . . . . 11 PHE C . 11244 1 59 . 1 1 11 11 PHE CA C 13 58.093 0.300 . 1 . . . . 11 PHE CA . 11244 1 60 . 1 1 11 11 PHE CB C 13 39.236 0.300 . 1 . . . . 11 PHE CB . 11244 1 61 . 1 1 11 11 PHE CD1 C 13 131.845 0.300 . 1 . . . . 11 PHE CD1 . 11244 1 62 . 1 1 11 11 PHE CD2 C 13 131.845 0.300 . 1 . . . . 11 PHE CD2 . 11244 1 63 . 1 1 11 11 PHE CE1 C 13 131.368 0.300 . 1 . . . . 11 PHE CE1 . 11244 1 64 . 1 1 11 11 PHE CE2 C 13 131.368 0.300 . 1 . . . . 11 PHE CE2 . 11244 1 65 . 1 1 11 11 PHE CZ C 13 129.378 0.300 . 1 . . . . 11 PHE CZ . 11244 1 66 . 1 1 11 11 PHE N N 15 119.807 0.300 . 1 . . . . 11 PHE N . 11244 1 67 . 1 1 12 12 MET H H 1 8.123 0.030 . 1 . . . . 12 MET H . 11244 1 68 . 1 1 12 12 MET HA H 1 4.396 0.030 . 1 . . . . 12 MET HA . 11244 1 69 . 1 1 12 12 MET HB2 H 1 2.070 0.030 . 2 . . . . 12 MET HB2 . 11244 1 70 . 1 1 12 12 MET HB3 H 1 2.014 0.030 . 2 . . . . 12 MET HB3 . 11244 1 71 . 1 1 12 12 MET HE1 H 1 2.040 0.030 . 1 . . . . 12 MET HE . 11244 1 72 . 1 1 12 12 MET HE2 H 1 2.040 0.030 . 1 . . . . 12 MET HE . 11244 1 73 . 1 1 12 12 MET HE3 H 1 2.040 0.030 . 1 . . . . 12 MET HE . 11244 1 74 . 1 1 12 12 MET HG2 H 1 2.574 0.030 . 2 . . . . 12 MET HG2 . 11244 1 75 . 1 1 12 12 MET HG3 H 1 2.508 0.030 . 2 . . . . 12 MET HG3 . 11244 1 76 . 1 1 12 12 MET C C 13 176.087 0.300 . 1 . . . . 12 MET C . 11244 1 77 . 1 1 12 12 MET CA C 13 55.884 0.300 . 1 . . . . 12 MET CA . 11244 1 78 . 1 1 12 12 MET CB C 13 32.746 0.300 . 1 . . . . 12 MET CB . 11244 1 79 . 1 1 12 12 MET CE C 13 16.951 0.300 . 1 . . . . 12 MET CE . 11244 1 80 . 1 1 12 12 MET CG C 13 32.205 0.300 . 1 . . . . 12 MET CG . 11244 1 81 . 1 1 12 12 MET N N 15 120.252 0.300 . 1 . . . . 12 MET N . 11244 1 82 . 1 1 13 13 ASN H H 1 8.377 0.030 . 1 . . . . 13 ASN H . 11244 1 83 . 1 1 13 13 ASN HA H 1 4.696 0.030 . 1 . . . . 13 ASN HA . 11244 1 84 . 1 1 13 13 ASN HB2 H 1 2.734 0.030 . 2 . . . . 13 ASN HB2 . 11244 1 85 . 1 1 13 13 ASN HB3 H 1 2.878 0.030 . 2 . . . . 13 ASN HB3 . 11244 1 86 . 1 1 13 13 ASN HD21 H 1 7.719 0.030 . 2 . . . . 13 ASN HD21 . 11244 1 87 . 1 1 13 13 ASN HD22 H 1 6.924 0.030 . 2 . . . . 13 ASN HD22 . 11244 1 88 . 1 1 13 13 ASN C C 13 174.990 0.300 . 1 . . . . 13 ASN C . 11244 1 89 . 1 1 13 13 ASN CA C 13 53.020 0.300 . 1 . . . . 13 ASN CA . 11244 1 90 . 1 1 13 13 ASN CB C 13 38.260 0.300 . 1 . . . . 13 ASN CB . 11244 1 91 . 1 1 13 13 ASN N N 15 119.973 0.300 . 1 . . . . 13 ASN N . 11244 1 92 . 1 1 13 13 ASN ND2 N 15 112.250 0.300 . 1 . . . . 13 ASN ND2 . 11244 1 93 . 1 1 14 14 VAL H H 1 7.838 0.030 . 1 . . . . 14 VAL H . 11244 1 94 . 1 1 14 14 VAL HA H 1 4.192 0.030 . 1 . . . . 14 VAL HA . 11244 1 95 . 1 1 14 14 VAL HB H 1 2.119 0.030 . 1 . . . . 14 VAL HB . 11244 1 96 . 1 1 14 14 VAL HG11 H 1 0.924 0.030 . 1 . . . . 14 VAL HG1 . 11244 1 97 . 1 1 14 14 VAL HG12 H 1 0.924 0.030 . 1 . . . . 14 VAL HG1 . 11244 1 98 . 1 1 14 14 VAL HG13 H 1 0.924 0.030 . 1 . . . . 14 VAL HG1 . 11244 1 99 . 1 1 14 14 VAL HG21 H 1 0.953 0.030 . 1 . . . . 14 VAL HG2 . 11244 1 100 . 1 1 14 14 VAL HG22 H 1 0.953 0.030 . 1 . . . . 14 VAL HG2 . 11244 1 101 . 1 1 14 14 VAL HG23 H 1 0.953 0.030 . 1 . . . . 14 VAL HG2 . 11244 1 102 . 1 1 14 14 VAL C C 13 176.302 0.300 . 1 . . . . 14 VAL C . 11244 1 103 . 1 1 14 14 VAL CA C 13 62.297 0.300 . 1 . . . . 14 VAL CA . 11244 1 104 . 1 1 14 14 VAL CB C 13 32.851 0.300 . 1 . . . . 14 VAL CB . 11244 1 105 . 1 1 14 14 VAL CG1 C 13 21.159 0.300 . 2 . . . . 14 VAL CG1 . 11244 1 106 . 1 1 14 14 VAL CG2 C 13 20.565 0.300 . 2 . . . . 14 VAL CG2 . 11244 1 107 . 1 1 14 14 VAL N N 15 118.562 0.300 . 1 . . . . 14 VAL N . 11244 1 108 . 1 1 15 15 TRP H H 1 8.664 0.030 . 1 . . . . 15 TRP H . 11244 1 109 . 1 1 15 15 TRP HA H 1 4.441 0.030 . 1 . . . . 15 TRP HA . 11244 1 110 . 1 1 15 15 TRP HB2 H 1 2.975 0.030 . 2 . . . . 15 TRP HB2 . 11244 1 111 . 1 1 15 15 TRP HB3 H 1 2.836 0.030 . 2 . . . . 15 TRP HB3 . 11244 1 112 . 1 1 15 15 TRP HD1 H 1 7.217 0.030 . 1 . . . . 15 TRP HD1 . 11244 1 113 . 1 1 15 15 TRP HE1 H 1 10.152 0.030 . 1 . . . . 15 TRP HE1 . 11244 1 114 . 1 1 15 15 TRP HE3 H 1 6.722 0.030 . 1 . . . . 15 TRP HE3 . 11244 1 115 . 1 1 15 15 TRP HH2 H 1 7.199 0.030 . 1 . . . . 15 TRP HH2 . 11244 1 116 . 1 1 15 15 TRP HZ2 H 1 6.937 0.030 . 1 . . . . 15 TRP HZ2 . 11244 1 117 . 1 1 15 15 TRP HZ3 H 1 6.672 0.030 . 1 . . . . 15 TRP HZ3 . 11244 1 118 . 1 1 15 15 TRP C C 13 176.842 0.300 . 1 . . . . 15 TRP C . 11244 1 119 . 1 1 15 15 TRP CA C 13 57.042 0.300 . 1 . . . . 15 TRP CA . 11244 1 120 . 1 1 15 15 TRP CB C 13 28.771 0.300 . 1 . . . . 15 TRP CB . 11244 1 121 . 1 1 15 15 TRP CD1 C 13 125.471 0.300 . 1 . . . . 15 TRP CD1 . 11244 1 122 . 1 1 15 15 TRP CE3 C 13 119.565 0.300 . 1 . . . . 15 TRP CE3 . 11244 1 123 . 1 1 15 15 TRP CH2 C 13 124.074 0.300 . 1 . . . . 15 TRP CH2 . 11244 1 124 . 1 1 15 15 TRP CZ2 C 13 112.424 0.300 . 1 . . . . 15 TRP CZ2 . 11244 1 125 . 1 1 15 15 TRP CZ3 C 13 121.074 0.300 . 1 . . . . 15 TRP CZ3 . 11244 1 126 . 1 1 15 15 TRP N N 15 127.171 0.300 . 1 . . . . 15 TRP N . 11244 1 127 . 1 1 15 15 TRP NE1 N 15 128.945 0.300 . 1 . . . . 15 TRP NE1 . 11244 1 128 . 1 1 16 16 THR H H 1 9.521 0.030 . 1 . . . . 16 THR H . 11244 1 129 . 1 1 16 16 THR HA H 1 4.530 0.030 . 1 . . . . 16 THR HA . 11244 1 130 . 1 1 16 16 THR HB H 1 4.786 0.030 . 1 . . . . 16 THR HB . 11244 1 131 . 1 1 16 16 THR HG21 H 1 1.298 0.030 . 1 . . . . 16 THR HG2 . 11244 1 132 . 1 1 16 16 THR HG22 H 1 1.298 0.030 . 1 . . . . 16 THR HG2 . 11244 1 133 . 1 1 16 16 THR HG23 H 1 1.298 0.030 . 1 . . . . 16 THR HG2 . 11244 1 134 . 1 1 16 16 THR C C 13 175.484 0.300 . 1 . . . . 16 THR C . 11244 1 135 . 1 1 16 16 THR CA C 13 60.665 0.300 . 1 . . . . 16 THR CA . 11244 1 136 . 1 1 16 16 THR CB C 13 71.499 0.300 . 1 . . . . 16 THR CB . 11244 1 137 . 1 1 16 16 THR CG2 C 13 21.824 0.300 . 1 . . . . 16 THR CG2 . 11244 1 138 . 1 1 16 16 THR N N 15 117.519 0.300 . 1 . . . . 16 THR N . 11244 1 139 . 1 1 17 17 ASP H H 1 9.092 0.030 . 1 . . . . 17 ASP H . 11244 1 140 . 1 1 17 17 ASP HA H 1 4.403 0.030 . 1 . . . . 17 ASP HA . 11244 1 141 . 1 1 17 17 ASP HB2 H 1 2.794 0.030 . 2 . . . . 17 ASP HB2 . 11244 1 142 . 1 1 17 17 ASP HB3 H 1 2.698 0.030 . 2 . . . . 17 ASP HB3 . 11244 1 143 . 1 1 17 17 ASP C C 13 178.944 0.300 . 1 . . . . 17 ASP C . 11244 1 144 . 1 1 17 17 ASP CA C 13 58.357 0.300 . 1 . . . . 17 ASP CA . 11244 1 145 . 1 1 17 17 ASP CB C 13 39.624 0.300 . 1 . . . . 17 ASP CB . 11244 1 146 . 1 1 17 17 ASP N N 15 121.700 0.300 . 1 . . . . 17 ASP N . 11244 1 147 . 1 1 18 18 HIS H H 1 8.601 0.030 . 1 . . . . 18 HIS H . 11244 1 148 . 1 1 18 18 HIS HA H 1 4.547 0.030 . 1 . . . . 18 HIS HA . 11244 1 149 . 1 1 18 18 HIS HB2 H 1 3.111 0.030 . 2 . . . . 18 HIS HB2 . 11244 1 150 . 1 1 18 18 HIS HB3 H 1 3.257 0.030 . 2 . . . . 18 HIS HB3 . 11244 1 151 . 1 1 18 18 HIS HD2 H 1 7.140 0.030 . 1 . . . . 18 HIS HD2 . 11244 1 152 . 1 1 18 18 HIS C C 13 177.630 0.300 . 1 . . . . 18 HIS C . 11244 1 153 . 1 1 18 18 HIS CA C 13 59.099 0.300 . 1 . . . . 18 HIS CA . 11244 1 154 . 1 1 18 18 HIS CB C 13 30.300 0.300 . 1 . . . . 18 HIS CB . 11244 1 155 . 1 1 18 18 HIS CD2 C 13 119.656 0.300 . 1 . . . . 18 HIS CD2 . 11244 1 156 . 1 1 18 18 HIS N N 15 118.789 0.300 . 1 . . . . 18 HIS N . 11244 1 157 . 1 1 19 19 GLU H H 1 7.708 0.030 . 1 . . . . 19 GLU H . 11244 1 158 . 1 1 19 19 GLU HA H 1 3.811 0.030 . 1 . . . . 19 GLU HA . 11244 1 159 . 1 1 19 19 GLU HB2 H 1 2.087 0.030 . 2 . . . . 19 GLU HB2 . 11244 1 160 . 1 1 19 19 GLU HB3 H 1 2.479 0.030 . 2 . . . . 19 GLU HB3 . 11244 1 161 . 1 1 19 19 GLU HG2 H 1 2.392 0.030 . 2 . . . . 19 GLU HG2 . 11244 1 162 . 1 1 19 19 GLU HG3 H 1 2.026 0.030 . 2 . . . . 19 GLU HG3 . 11244 1 163 . 1 1 19 19 GLU C C 13 178.911 0.300 . 1 . . . . 19 GLU C . 11244 1 164 . 1 1 19 19 GLU CA C 13 59.536 0.300 . 1 . . . . 19 GLU CA . 11244 1 165 . 1 1 19 19 GLU CB C 13 31.592 0.300 . 1 . . . . 19 GLU CB . 11244 1 166 . 1 1 19 19 GLU CG C 13 37.751 0.300 . 1 . . . . 19 GLU CG . 11244 1 167 . 1 1 19 19 GLU N N 15 118.486 0.300 . 1 . . . . 19 GLU N . 11244 1 168 . 1 1 20 20 LYS H H 1 8.595 0.030 . 1 . . . . 20 LYS H . 11244 1 169 . 1 1 20 20 LYS HA H 1 3.894 0.030 . 1 . . . . 20 LYS HA . 11244 1 170 . 1 1 20 20 LYS HB2 H 1 2.133 0.030 . 2 . . . . 20 LYS HB2 . 11244 1 171 . 1 1 20 20 LYS HB3 H 1 1.898 0.030 . 2 . . . . 20 LYS HB3 . 11244 1 172 . 1 1 20 20 LYS HD2 H 1 1.794 0.030 . 2 . . . . 20 LYS HD2 . 11244 1 173 . 1 1 20 20 LYS HD3 H 1 1.725 0.030 . 2 . . . . 20 LYS HD3 . 11244 1 174 . 1 1 20 20 LYS HE2 H 1 2.916 0.030 . 2 . . . . 20 LYS HE2 . 11244 1 175 . 1 1 20 20 LYS HE3 H 1 3.062 0.030 . 2 . . . . 20 LYS HE3 . 11244 1 176 . 1 1 20 20 LYS HG2 H 1 1.395 0.030 . 2 . . . . 20 LYS HG2 . 11244 1 177 . 1 1 20 20 LYS HG3 H 1 1.945 0.030 . 2 . . . . 20 LYS HG3 . 11244 1 178 . 1 1 20 20 LYS C C 13 179.929 0.300 . 1 . . . . 20 LYS C . 11244 1 179 . 1 1 20 20 LYS CA C 13 60.843 0.300 . 1 . . . . 20 LYS CA . 11244 1 180 . 1 1 20 20 LYS CB C 13 32.851 0.300 . 1 . . . . 20 LYS CB . 11244 1 181 . 1 1 20 20 LYS CD C 13 30.342 0.300 . 1 . . . . 20 LYS CD . 11244 1 182 . 1 1 20 20 LYS CE C 13 42.217 0.300 . 1 . . . . 20 LYS CE . 11244 1 183 . 1 1 20 20 LYS CG C 13 26.410 0.300 . 1 . . . . 20 LYS CG . 11244 1 184 . 1 1 20 20 LYS N N 15 117.986 0.300 . 1 . . . . 20 LYS N . 11244 1 185 . 1 1 21 21 GLU H H 1 8.037 0.030 . 1 . . . . 21 GLU H . 11244 1 186 . 1 1 21 21 GLU HA H 1 4.150 0.030 . 1 . . . . 21 GLU HA . 11244 1 187 . 1 1 21 21 GLU HB2 H 1 2.247 0.030 . 1 . . . . 21 GLU HB2 . 11244 1 188 . 1 1 21 21 GLU HB3 H 1 2.247 0.030 . 1 . . . . 21 GLU HB3 . 11244 1 189 . 1 1 21 21 GLU HG2 H 1 2.456 0.030 . 2 . . . . 21 GLU HG2 . 11244 1 190 . 1 1 21 21 GLU HG3 H 1 2.393 0.030 . 2 . . . . 21 GLU HG3 . 11244 1 191 . 1 1 21 21 GLU C C 13 178.671 0.300 . 1 . . . . 21 GLU C . 11244 1 192 . 1 1 21 21 GLU CA C 13 59.419 0.300 . 1 . . . . 21 GLU CA . 11244 1 193 . 1 1 21 21 GLU CB C 13 29.514 0.300 . 1 . . . . 21 GLU CB . 11244 1 194 . 1 1 21 21 GLU CG C 13 35.967 0.300 . 1 . . . . 21 GLU CG . 11244 1 195 . 1 1 21 21 GLU N N 15 121.293 0.300 . 1 . . . . 21 GLU N . 11244 1 196 . 1 1 22 22 ILE H H 1 8.011 0.030 . 1 . . . . 22 ILE H . 11244 1 197 . 1 1 22 22 ILE HA H 1 3.877 0.030 . 1 . . . . 22 ILE HA . 11244 1 198 . 1 1 22 22 ILE HB H 1 1.947 0.030 . 1 . . . . 22 ILE HB . 11244 1 199 . 1 1 22 22 ILE HD11 H 1 0.728 0.030 . 1 . . . . 22 ILE HD1 . 11244 1 200 . 1 1 22 22 ILE HD12 H 1 0.728 0.030 . 1 . . . . 22 ILE HD1 . 11244 1 201 . 1 1 22 22 ILE HD13 H 1 0.728 0.030 . 1 . . . . 22 ILE HD1 . 11244 1 202 . 1 1 22 22 ILE HG12 H 1 1.562 0.030 . 2 . . . . 22 ILE HG12 . 11244 1 203 . 1 1 22 22 ILE HG13 H 1 1.006 0.030 . 2 . . . . 22 ILE HG13 . 11244 1 204 . 1 1 22 22 ILE HG21 H 1 0.840 0.030 . 1 . . . . 22 ILE HG2 . 11244 1 205 . 1 1 22 22 ILE HG22 H 1 0.840 0.030 . 1 . . . . 22 ILE HG2 . 11244 1 206 . 1 1 22 22 ILE HG23 H 1 0.840 0.030 . 1 . . . . 22 ILE HG2 . 11244 1 207 . 1 1 22 22 ILE C C 13 177.990 0.300 . 1 . . . . 22 ILE C . 11244 1 208 . 1 1 22 22 ILE CA C 13 64.883 0.300 . 1 . . . . 22 ILE CA . 11244 1 209 . 1 1 22 22 ILE CB C 13 38.057 0.300 . 1 . . . . 22 ILE CB . 11244 1 210 . 1 1 22 22 ILE CD1 C 13 12.953 0.300 . 1 . . . . 22 ILE CD1 . 11244 1 211 . 1 1 22 22 ILE CG1 C 13 28.562 0.300 . 1 . . . . 22 ILE CG1 . 11244 1 212 . 1 1 22 22 ILE CG2 C 13 17.602 0.300 . 1 . . . . 22 ILE CG2 . 11244 1 213 . 1 1 22 22 ILE N N 15 121.364 0.300 . 1 . . . . 22 ILE N . 11244 1 214 . 1 1 23 23 PHE H H 1 8.745 0.030 . 1 . . . . 23 PHE H . 11244 1 215 . 1 1 23 23 PHE HA H 1 3.804 0.030 . 1 . . . . 23 PHE HA . 11244 1 216 . 1 1 23 23 PHE HB2 H 1 3.254 0.030 . 2 . . . . 23 PHE HB2 . 11244 1 217 . 1 1 23 23 PHE HB3 H 1 3.352 0.030 . 2 . . . . 23 PHE HB3 . 11244 1 218 . 1 1 23 23 PHE HD1 H 1 7.302 0.030 . 1 . . . . 23 PHE HD1 . 11244 1 219 . 1 1 23 23 PHE HD2 H 1 7.302 0.030 . 1 . . . . 23 PHE HD2 . 11244 1 220 . 1 1 23 23 PHE HE1 H 1 7.357 0.030 . 1 . . . . 23 PHE HE1 . 11244 1 221 . 1 1 23 23 PHE HE2 H 1 7.357 0.030 . 1 . . . . 23 PHE HE2 . 11244 1 222 . 1 1 23 23 PHE HZ H 1 7.350 0.030 . 1 . . . . 23 PHE HZ . 11244 1 223 . 1 1 23 23 PHE C C 13 176.284 0.300 . 1 . . . . 23 PHE C . 11244 1 224 . 1 1 23 23 PHE CA C 13 62.851 0.300 . 1 . . . . 23 PHE CA . 11244 1 225 . 1 1 23 23 PHE CB C 13 39.835 0.300 . 1 . . . . 23 PHE CB . 11244 1 226 . 1 1 23 23 PHE CD1 C 13 132.961 0.300 . 1 . . . . 23 PHE CD1 . 11244 1 227 . 1 1 23 23 PHE CD2 C 13 132.961 0.300 . 1 . . . . 23 PHE CD2 . 11244 1 228 . 1 1 23 23 PHE CE1 C 13 130.596 0.300 . 1 . . . . 23 PHE CE1 . 11244 1 229 . 1 1 23 23 PHE CE2 C 13 130.596 0.300 . 1 . . . . 23 PHE CE2 . 11244 1 230 . 1 1 23 23 PHE CZ C 13 128.883 0.300 . 1 . . . . 23 PHE CZ . 11244 1 231 . 1 1 23 23 PHE N N 15 118.584 0.300 . 1 . . . . 23 PHE N . 11244 1 232 . 1 1 24 24 LYS H H 1 8.135 0.030 . 1 . . . . 24 LYS H . 11244 1 233 . 1 1 24 24 LYS HA H 1 4.063 0.030 . 1 . . . . 24 LYS HA . 11244 1 234 . 1 1 24 24 LYS HB2 H 1 2.083 0.030 . 1 . . . . 24 LYS HB2 . 11244 1 235 . 1 1 24 24 LYS HB3 H 1 2.083 0.030 . 1 . . . . 24 LYS HB3 . 11244 1 236 . 1 1 24 24 LYS HD2 H 1 1.790 0.030 . 2 . . . . 24 LYS HD2 . 11244 1 237 . 1 1 24 24 LYS HD3 H 1 1.770 0.030 . 2 . . . . 24 LYS HD3 . 11244 1 238 . 1 1 24 24 LYS HE2 H 1 3.018 0.030 . 1 . . . . 24 LYS HE2 . 11244 1 239 . 1 1 24 24 LYS HE3 H 1 3.018 0.030 . 1 . . . . 24 LYS HE3 . 11244 1 240 . 1 1 24 24 LYS HG2 H 1 1.537 0.030 . 2 . . . . 24 LYS HG2 . 11244 1 241 . 1 1 24 24 LYS HG3 H 1 1.711 0.030 . 2 . . . . 24 LYS HG3 . 11244 1 242 . 1 1 24 24 LYS C C 13 178.512 0.300 . 1 . . . . 24 LYS C . 11244 1 243 . 1 1 24 24 LYS CA C 13 59.765 0.300 . 1 . . . . 24 LYS CA . 11244 1 244 . 1 1 24 24 LYS CB C 13 32.592 0.300 . 1 . . . . 24 LYS CB . 11244 1 245 . 1 1 24 24 LYS CD C 13 29.580 0.300 . 1 . . . . 24 LYS CD . 11244 1 246 . 1 1 24 24 LYS CE C 13 41.989 0.300 . 1 . . . . 24 LYS CE . 11244 1 247 . 1 1 24 24 LYS CG C 13 24.425 0.300 . 1 . . . . 24 LYS CG . 11244 1 248 . 1 1 24 24 LYS N N 15 117.670 0.300 . 1 . . . . 24 LYS N . 11244 1 249 . 1 1 25 25 ASP H H 1 8.100 0.030 . 1 . . . . 25 ASP H . 11244 1 250 . 1 1 25 25 ASP HA H 1 4.400 0.030 . 1 . . . . 25 ASP HA . 11244 1 251 . 1 1 25 25 ASP HB2 H 1 2.802 0.030 . 2 . . . . 25 ASP HB2 . 11244 1 252 . 1 1 25 25 ASP HB3 H 1 2.663 0.030 . 2 . . . . 25 ASP HB3 . 11244 1 253 . 1 1 25 25 ASP C C 13 179.303 0.300 . 1 . . . . 25 ASP C . 11244 1 254 . 1 1 25 25 ASP CA C 13 57.156 0.300 . 1 . . . . 25 ASP CA . 11244 1 255 . 1 1 25 25 ASP CB C 13 41.762 0.300 . 1 . . . . 25 ASP CB . 11244 1 256 . 1 1 25 25 ASP N N 15 117.790 0.300 . 1 . . . . 25 ASP N . 11244 1 257 . 1 1 26 26 LYS H H 1 8.767 0.030 . 1 . . . . 26 LYS H . 11244 1 258 . 1 1 26 26 LYS HA H 1 3.985 0.030 . 1 . . . . 26 LYS HA . 11244 1 259 . 1 1 26 26 LYS HB2 H 1 1.493 0.030 . 2 . . . . 26 LYS HB2 . 11244 1 260 . 1 1 26 26 LYS HB3 H 1 1.950 0.030 . 2 . . . . 26 LYS HB3 . 11244 1 261 . 1 1 26 26 LYS HD2 H 1 1.298 0.030 . 2 . . . . 26 LYS HD2 . 11244 1 262 . 1 1 26 26 LYS HD3 H 1 0.828 0.030 . 2 . . . . 26 LYS HD3 . 11244 1 263 . 1 1 26 26 LYS HE2 H 1 2.219 0.030 . 2 . . . . 26 LYS HE2 . 11244 1 264 . 1 1 26 26 LYS HE3 H 1 1.421 0.030 . 2 . . . . 26 LYS HE3 . 11244 1 265 . 1 1 26 26 LYS HG2 H 1 1.651 0.030 . 2 . . . . 26 LYS HG2 . 11244 1 266 . 1 1 26 26 LYS HG3 H 1 0.935 0.030 . 2 . . . . 26 LYS HG3 . 11244 1 267 . 1 1 26 26 LYS C C 13 177.795 0.300 . 1 . . . . 26 LYS C . 11244 1 268 . 1 1 26 26 LYS CA C 13 56.257 0.300 . 1 . . . . 26 LYS CA . 11244 1 269 . 1 1 26 26 LYS CB C 13 31.691 0.300 . 1 . . . . 26 LYS CB . 11244 1 270 . 1 1 26 26 LYS CD C 13 27.396 0.300 . 1 . . . . 26 LYS CD . 11244 1 271 . 1 1 26 26 LYS CE C 13 41.380 0.300 . 1 . . . . 26 LYS CE . 11244 1 272 . 1 1 26 26 LYS CG C 13 24.159 0.300 . 1 . . . . 26 LYS CG . 11244 1 273 . 1 1 26 26 LYS N N 15 115.773 0.300 . 1 . . . . 26 LYS N . 11244 1 274 . 1 1 27 27 PHE H H 1 9.039 0.030 . 1 . . . . 27 PHE H . 11244 1 275 . 1 1 27 27 PHE HA H 1 3.551 0.030 . 1 . . . . 27 PHE HA . 11244 1 276 . 1 1 27 27 PHE HB2 H 1 3.021 0.030 . 2 . . . . 27 PHE HB2 . 11244 1 277 . 1 1 27 27 PHE HB3 H 1 2.478 0.030 . 2 . . . . 27 PHE HB3 . 11244 1 278 . 1 1 27 27 PHE HD1 H 1 6.856 0.030 . 1 . . . . 27 PHE HD1 . 11244 1 279 . 1 1 27 27 PHE HD2 H 1 6.856 0.030 . 1 . . . . 27 PHE HD2 . 11244 1 280 . 1 1 27 27 PHE HE1 H 1 7.000 0.030 . 1 . . . . 27 PHE HE1 . 11244 1 281 . 1 1 27 27 PHE HE2 H 1 7.000 0.030 . 1 . . . . 27 PHE HE2 . 11244 1 282 . 1 1 27 27 PHE HZ H 1 7.155 0.030 . 1 . . . . 27 PHE HZ . 11244 1 283 . 1 1 27 27 PHE C C 13 176.442 0.300 . 1 . . . . 27 PHE C . 11244 1 284 . 1 1 27 27 PHE CA C 13 61.332 0.300 . 1 . . . . 27 PHE CA . 11244 1 285 . 1 1 27 27 PHE CB C 13 38.576 0.300 . 1 . . . . 27 PHE CB . 11244 1 286 . 1 1 27 27 PHE CD1 C 13 132.651 0.300 . 1 . . . . 27 PHE CD1 . 11244 1 287 . 1 1 27 27 PHE CD2 C 13 132.651 0.300 . 1 . . . . 27 PHE CD2 . 11244 1 288 . 1 1 27 27 PHE CE1 C 13 130.267 0.300 . 1 . . . . 27 PHE CE1 . 11244 1 289 . 1 1 27 27 PHE CE2 C 13 130.267 0.300 . 1 . . . . 27 PHE CE2 . 11244 1 290 . 1 1 27 27 PHE CZ C 13 130.277 0.300 . 1 . . . . 27 PHE CZ . 11244 1 291 . 1 1 27 27 PHE N N 15 122.207 0.300 . 1 . . . . 27 PHE N . 11244 1 292 . 1 1 28 28 ILE H H 1 7.413 0.030 . 1 . . . . 28 ILE H . 11244 1 293 . 1 1 28 28 ILE HA H 1 3.664 0.030 . 1 . . . . 28 ILE HA . 11244 1 294 . 1 1 28 28 ILE HB H 1 1.973 0.030 . 1 . . . . 28 ILE HB . 11244 1 295 . 1 1 28 28 ILE HD11 H 1 0.967 0.030 . 1 . . . . 28 ILE HD1 . 11244 1 296 . 1 1 28 28 ILE HD12 H 1 0.967 0.030 . 1 . . . . 28 ILE HD1 . 11244 1 297 . 1 1 28 28 ILE HD13 H 1 0.967 0.030 . 1 . . . . 28 ILE HD1 . 11244 1 298 . 1 1 28 28 ILE HG12 H 1 1.267 0.030 . 2 . . . . 28 ILE HG12 . 11244 1 299 . 1 1 28 28 ILE HG13 H 1 1.904 0.030 . 2 . . . . 28 ILE HG13 . 11244 1 300 . 1 1 28 28 ILE HG21 H 1 0.884 0.030 . 1 . . . . 28 ILE HG2 . 11244 1 301 . 1 1 28 28 ILE HG22 H 1 0.884 0.030 . 1 . . . . 28 ILE HG2 . 11244 1 302 . 1 1 28 28 ILE HG23 H 1 0.884 0.030 . 1 . . . . 28 ILE HG2 . 11244 1 303 . 1 1 28 28 ILE C C 13 178.376 0.300 . 1 . . . . 28 ILE C . 11244 1 304 . 1 1 28 28 ILE CA C 13 64.286 0.300 . 1 . . . . 28 ILE CA . 11244 1 305 . 1 1 28 28 ILE CB C 13 37.927 0.300 . 1 . . . . 28 ILE CB . 11244 1 306 . 1 1 28 28 ILE CD1 C 13 13.591 0.300 . 1 . . . . 28 ILE CD1 . 11244 1 307 . 1 1 28 28 ILE CG1 C 13 29.742 0.300 . 1 . . . . 28 ILE CG1 . 11244 1 308 . 1 1 28 28 ILE CG2 C 13 17.186 0.300 . 1 . . . . 28 ILE CG2 . 11244 1 309 . 1 1 28 28 ILE N N 15 114.964 0.300 . 1 . . . . 28 ILE N . 11244 1 310 . 1 1 29 29 GLN H H 1 6.856 0.030 . 1 . . . . 29 GLN H . 11244 1 311 . 1 1 29 29 GLN HA H 1 3.780 0.030 . 1 . . . . 29 GLN HA . 11244 1 312 . 1 1 29 29 GLN HB2 H 1 1.572 0.030 . 2 . . . . 29 GLN HB2 . 11244 1 313 . 1 1 29 29 GLN HB3 H 1 1.442 0.030 . 2 . . . . 29 GLN HB3 . 11244 1 314 . 1 1 29 29 GLN HE21 H 1 7.264 0.030 . 2 . . . . 29 GLN HE21 . 11244 1 315 . 1 1 29 29 GLN HE22 H 1 6.850 0.030 . 2 . . . . 29 GLN HE22 . 11244 1 316 . 1 1 29 29 GLN HG2 H 1 2.246 0.030 . 2 . . . . 29 GLN HG2 . 11244 1 317 . 1 1 29 29 GLN HG3 H 1 1.988 0.030 . 2 . . . . 29 GLN HG3 . 11244 1 318 . 1 1 29 29 GLN C C 13 175.921 0.300 . 1 . . . . 29 GLN C . 11244 1 319 . 1 1 29 29 GLN CA C 13 57.810 0.300 . 1 . . . . 29 GLN CA . 11244 1 320 . 1 1 29 29 GLN CB C 13 29.669 0.300 . 1 . . . . 29 GLN CB . 11244 1 321 . 1 1 29 29 GLN CG C 13 33.848 0.300 . 1 . . . . 29 GLN CG . 11244 1 322 . 1 1 29 29 GLN N N 15 116.072 0.300 . 1 . . . . 29 GLN N . 11244 1 323 . 1 1 29 29 GLN NE2 N 15 112.656 0.300 . 1 . . . . 29 GLN NE2 . 11244 1 324 . 1 1 30 30 HIS H H 1 7.865 0.030 . 1 . . . . 30 HIS H . 11244 1 325 . 1 1 30 30 HIS HA H 1 4.838 0.030 . 1 . . . . 30 HIS HA . 11244 1 326 . 1 1 30 30 HIS HB2 H 1 3.009 0.030 . 2 . . . . 30 HIS HB2 . 11244 1 327 . 1 1 30 30 HIS HB3 H 1 2.802 0.030 . 2 . . . . 30 HIS HB3 . 11244 1 328 . 1 1 30 30 HIS C C 13 170.999 0.300 . 1 . . . . 30 HIS C . 11244 1 329 . 1 1 30 30 HIS CA C 13 52.136 0.300 . 1 . . . . 30 HIS CA . 11244 1 330 . 1 1 30 30 HIS CB C 13 29.714 0.300 . 1 . . . . 30 HIS CB . 11244 1 331 . 1 1 30 30 HIS N N 15 117.003 0.300 . 1 . . . . 30 HIS N . 11244 1 332 . 1 1 31 31 PRO HA H 1 2.837 0.030 . 1 . . . . 31 PRO HA . 11244 1 333 . 1 1 31 31 PRO HB2 H 1 1.707 0.030 . 2 . . . . 31 PRO HB2 . 11244 1 334 . 1 1 31 31 PRO HB3 H 1 1.457 0.030 . 2 . . . . 31 PRO HB3 . 11244 1 335 . 1 1 31 31 PRO HD2 H 1 3.151 0.030 . 2 . . . . 31 PRO HD2 . 11244 1 336 . 1 1 31 31 PRO HD3 H 1 3.248 0.030 . 2 . . . . 31 PRO HD3 . 11244 1 337 . 1 1 31 31 PRO HG2 H 1 1.772 0.030 . 2 . . . . 31 PRO HG2 . 11244 1 338 . 1 1 31 31 PRO HG3 H 1 1.848 0.030 . 2 . . . . 31 PRO HG3 . 11244 1 339 . 1 1 31 31 PRO CA C 13 64.528 0.300 . 1 . . . . 31 PRO CA . 11244 1 340 . 1 1 31 31 PRO CB C 13 30.887 0.300 . 1 . . . . 31 PRO CB . 11244 1 341 . 1 1 31 31 PRO CD C 13 49.230 0.300 . 1 . . . . 31 PRO CD . 11244 1 342 . 1 1 31 31 PRO CG C 13 27.633 0.300 . 1 . . . . 31 PRO CG . 11244 1 343 . 1 1 32 32 LYS H H 1 5.298 0.030 . 1 . . . . 32 LYS H . 11244 1 344 . 1 1 32 32 LYS HA H 1 2.447 0.030 . 1 . . . . 32 LYS HA . 11244 1 345 . 1 1 32 32 LYS HB2 H 1 1.926 0.030 . 2 . . . . 32 LYS HB2 . 11244 1 346 . 1 1 32 32 LYS HB3 H 1 1.779 0.030 . 2 . . . . 32 LYS HB3 . 11244 1 347 . 1 1 32 32 LYS HD2 H 1 1.824 0.030 . 2 . . . . 32 LYS HD2 . 11244 1 348 . 1 1 32 32 LYS HD3 H 1 1.749 0.030 . 2 . . . . 32 LYS HD3 . 11244 1 349 . 1 1 32 32 LYS HE2 H 1 3.132 0.030 . 2 . . . . 32 LYS HE2 . 11244 1 350 . 1 1 32 32 LYS HE3 H 1 3.085 0.030 . 2 . . . . 32 LYS HE3 . 11244 1 351 . 1 1 32 32 LYS HG2 H 1 1.093 0.030 . 2 . . . . 32 LYS HG2 . 11244 1 352 . 1 1 32 32 LYS HG3 H 1 1.263 0.030 . 2 . . . . 32 LYS HG3 . 11244 1 353 . 1 1 32 32 LYS C C 13 173.100 0.300 . 1 . . . . 32 LYS C . 11244 1 354 . 1 1 32 32 LYS CA C 13 57.618 0.300 . 1 . . . . 32 LYS CA . 11244 1 355 . 1 1 32 32 LYS CB C 13 29.716 0.300 . 1 . . . . 32 LYS CB . 11244 1 356 . 1 1 32 32 LYS CD C 13 29.467 0.300 . 1 . . . . 32 LYS CD . 11244 1 357 . 1 1 32 32 LYS CE C 13 42.124 0.300 . 1 . . . . 32 LYS CE . 11244 1 358 . 1 1 32 32 LYS CG C 13 26.349 0.300 . 1 . . . . 32 LYS CG . 11244 1 359 . 1 1 32 32 LYS N N 15 113.271 0.300 . 1 . . . . 32 LYS N . 11244 1 360 . 1 1 33 33 ASN H H 1 7.587 0.030 . 1 . . . . 33 ASN H . 11244 1 361 . 1 1 33 33 ASN HA H 1 4.847 0.030 . 1 . . . . 33 ASN HA . 11244 1 362 . 1 1 33 33 ASN HB2 H 1 3.026 0.030 . 2 . . . . 33 ASN HB2 . 11244 1 363 . 1 1 33 33 ASN HB3 H 1 2.246 0.030 . 2 . . . . 33 ASN HB3 . 11244 1 364 . 1 1 33 33 ASN HD21 H 1 7.872 0.030 . 2 . . . . 33 ASN HD21 . 11244 1 365 . 1 1 33 33 ASN HD22 H 1 6.939 0.030 . 2 . . . . 33 ASN HD22 . 11244 1 366 . 1 1 33 33 ASN C C 13 175.491 0.300 . 1 . . . . 33 ASN C . 11244 1 367 . 1 1 33 33 ASN CA C 13 50.230 0.300 . 1 . . . . 33 ASN CA . 11244 1 368 . 1 1 33 33 ASN CB C 13 36.018 0.300 . 1 . . . . 33 ASN CB . 11244 1 369 . 1 1 33 33 ASN N N 15 118.421 0.300 . 1 . . . . 33 ASN N . 11244 1 370 . 1 1 33 33 ASN ND2 N 15 112.927 0.300 . 1 . . . . 33 ASN ND2 . 11244 1 371 . 1 1 34 34 PHE H H 1 7.583 0.030 . 1 . . . . 34 PHE H . 11244 1 372 . 1 1 34 34 PHE HA H 1 4.147 0.030 . 1 . . . . 34 PHE HA . 11244 1 373 . 1 1 34 34 PHE HB2 H 1 3.147 0.030 . 2 . . . . 34 PHE HB2 . 11244 1 374 . 1 1 34 34 PHE HB3 H 1 2.992 0.030 . 2 . . . . 34 PHE HB3 . 11244 1 375 . 1 1 34 34 PHE HD1 H 1 7.297 0.030 . 1 . . . . 34 PHE HD1 . 11244 1 376 . 1 1 34 34 PHE HD2 H 1 7.297 0.030 . 1 . . . . 34 PHE HD2 . 11244 1 377 . 1 1 34 34 PHE HE1 H 1 7.372 0.030 . 1 . . . . 34 PHE HE1 . 11244 1 378 . 1 1 34 34 PHE HE2 H 1 7.372 0.030 . 1 . . . . 34 PHE HE2 . 11244 1 379 . 1 1 34 34 PHE HZ H 1 7.378 0.030 . 1 . . . . 34 PHE HZ . 11244 1 380 . 1 1 34 34 PHE C C 13 176.957 0.300 . 1 . . . . 34 PHE C . 11244 1 381 . 1 1 34 34 PHE CA C 13 62.636 0.300 . 1 . . . . 34 PHE CA . 11244 1 382 . 1 1 34 34 PHE CB C 13 38.828 0.300 . 1 . . . . 34 PHE CB . 11244 1 383 . 1 1 34 34 PHE CD1 C 13 131.722 0.300 . 1 . . . . 34 PHE CD1 . 11244 1 384 . 1 1 34 34 PHE CD2 C 13 131.722 0.300 . 1 . . . . 34 PHE CD2 . 11244 1 385 . 1 1 34 34 PHE CE1 C 13 131.595 0.300 . 1 . . . . 34 PHE CE1 . 11244 1 386 . 1 1 34 34 PHE CE2 C 13 131.595 0.300 . 1 . . . . 34 PHE CE2 . 11244 1 387 . 1 1 34 34 PHE CZ C 13 129.831 0.300 . 1 . . . . 34 PHE CZ . 11244 1 388 . 1 1 34 34 PHE N N 15 119.542 0.300 . 1 . . . . 34 PHE N . 11244 1 389 . 1 1 35 35 GLY H H 1 8.992 0.030 . 1 . . . . 35 GLY H . 11244 1 390 . 1 1 35 35 GLY HA2 H 1 3.970 0.030 . 2 . . . . 35 GLY HA2 . 11244 1 391 . 1 1 35 35 GLY HA3 H 1 3.860 0.030 . 2 . . . . 35 GLY HA3 . 11244 1 392 . 1 1 35 35 GLY C C 13 175.970 0.300 . 1 . . . . 35 GLY C . 11244 1 393 . 1 1 35 35 GLY CA C 13 47.127 0.300 . 1 . . . . 35 GLY CA . 11244 1 394 . 1 1 35 35 GLY N N 15 106.561 0.300 . 1 . . . . 35 GLY N . 11244 1 395 . 1 1 36 36 LEU H H 1 7.117 0.030 . 1 . . . . 36 LEU H . 11244 1 396 . 1 1 36 36 LEU HA H 1 4.111 0.030 . 1 . . . . 36 LEU HA . 11244 1 397 . 1 1 36 36 LEU HB2 H 1 1.337 0.030 . 2 . . . . 36 LEU HB2 . 11244 1 398 . 1 1 36 36 LEU HB3 H 1 1.200 0.030 . 2 . . . . 36 LEU HB3 . 11244 1 399 . 1 1 36 36 LEU HD11 H 1 0.552 0.030 . 1 . . . . 36 LEU HD1 . 11244 1 400 . 1 1 36 36 LEU HD12 H 1 0.552 0.030 . 1 . . . . 36 LEU HD1 . 11244 1 401 . 1 1 36 36 LEU HD13 H 1 0.552 0.030 . 1 . . . . 36 LEU HD1 . 11244 1 402 . 1 1 36 36 LEU HD21 H 1 0.383 0.030 . 1 . . . . 36 LEU HD2 . 11244 1 403 . 1 1 36 36 LEU HD22 H 1 0.383 0.030 . 1 . . . . 36 LEU HD2 . 11244 1 404 . 1 1 36 36 LEU HD23 H 1 0.383 0.030 . 1 . . . . 36 LEU HD2 . 11244 1 405 . 1 1 36 36 LEU HG H 1 1.311 0.030 . 1 . . . . 36 LEU HG . 11244 1 406 . 1 1 36 36 LEU C C 13 180.568 0.300 . 1 . . . . 36 LEU C . 11244 1 407 . 1 1 36 36 LEU CA C 13 57.303 0.300 . 1 . . . . 36 LEU CA . 11244 1 408 . 1 1 36 36 LEU CB C 13 42.562 0.300 . 1 . . . . 36 LEU CB . 11244 1 409 . 1 1 36 36 LEU CD1 C 13 23.951 0.300 . 2 . . . . 36 LEU CD1 . 11244 1 410 . 1 1 36 36 LEU CD2 C 13 24.092 0.300 . 2 . . . . 36 LEU CD2 . 11244 1 411 . 1 1 36 36 LEU CG C 13 27.253 0.300 . 1 . . . . 36 LEU CG . 11244 1 412 . 1 1 36 36 LEU N N 15 122.896 0.300 . 1 . . . . 36 LEU N . 11244 1 413 . 1 1 37 37 ILE H H 1 8.401 0.030 . 1 . . . . 37 ILE H . 11244 1 414 . 1 1 37 37 ILE HA H 1 3.413 0.030 . 1 . . . . 37 ILE HA . 11244 1 415 . 1 1 37 37 ILE HB H 1 1.762 0.030 . 1 . . . . 37 ILE HB . 11244 1 416 . 1 1 37 37 ILE HD11 H 1 0.440 0.030 . 1 . . . . 37 ILE HD1 . 11244 1 417 . 1 1 37 37 ILE HD12 H 1 0.440 0.030 . 1 . . . . 37 ILE HD1 . 11244 1 418 . 1 1 37 37 ILE HD13 H 1 0.440 0.030 . 1 . . . . 37 ILE HD1 . 11244 1 419 . 1 1 37 37 ILE HG12 H 1 0.548 0.030 . 2 . . . . 37 ILE HG12 . 11244 1 420 . 1 1 37 37 ILE HG13 H 1 1.802 0.030 . 2 . . . . 37 ILE HG13 . 11244 1 421 . 1 1 37 37 ILE HG21 H 1 0.965 0.030 . 1 . . . . 37 ILE HG2 . 11244 1 422 . 1 1 37 37 ILE HG22 H 1 0.965 0.030 . 1 . . . . 37 ILE HG2 . 11244 1 423 . 1 1 37 37 ILE HG23 H 1 0.965 0.030 . 1 . . . . 37 ILE HG2 . 11244 1 424 . 1 1 37 37 ILE C C 13 177.338 0.300 . 1 . . . . 37 ILE C . 11244 1 425 . 1 1 37 37 ILE CA C 13 67.253 0.300 . 1 . . . . 37 ILE CA . 11244 1 426 . 1 1 37 37 ILE CB C 13 39.426 0.300 . 1 . . . . 37 ILE CB . 11244 1 427 . 1 1 37 37 ILE CD1 C 13 14.761 0.300 . 1 . . . . 37 ILE CD1 . 11244 1 428 . 1 1 37 37 ILE CG1 C 13 28.967 0.300 . 1 . . . . 37 ILE CG1 . 11244 1 429 . 1 1 37 37 ILE CG2 C 13 17.747 0.300 . 1 . . . . 37 ILE CG2 . 11244 1 430 . 1 1 37 37 ILE N N 15 121.136 0.300 . 1 . . . . 37 ILE N . 11244 1 431 . 1 1 38 38 ALA H H 1 8.592 0.030 . 1 . . . . 38 ALA H . 11244 1 432 . 1 1 38 38 ALA HA H 1 4.069 0.030 . 1 . . . . 38 ALA HA . 11244 1 433 . 1 1 38 38 ALA HB1 H 1 1.605 0.030 . 1 . . . . 38 ALA HB . 11244 1 434 . 1 1 38 38 ALA HB2 H 1 1.605 0.030 . 1 . . . . 38 ALA HB . 11244 1 435 . 1 1 38 38 ALA HB3 H 1 1.605 0.030 . 1 . . . . 38 ALA HB . 11244 1 436 . 1 1 38 38 ALA C C 13 180.561 0.300 . 1 . . . . 38 ALA C . 11244 1 437 . 1 1 38 38 ALA CA C 13 55.224 0.300 . 1 . . . . 38 ALA CA . 11244 1 438 . 1 1 38 38 ALA CB C 13 19.097 0.300 . 1 . . . . 38 ALA CB . 11244 1 439 . 1 1 38 38 ALA N N 15 117.153 0.300 . 1 . . . . 38 ALA N . 11244 1 440 . 1 1 39 39 SER H H 1 7.554 0.030 . 1 . . . . 39 SER H . 11244 1 441 . 1 1 39 39 SER HA H 1 4.181 0.030 . 1 . . . . 39 SER HA . 11244 1 442 . 1 1 39 39 SER HB2 H 1 3.885 0.030 . 2 . . . . 39 SER HB2 . 11244 1 443 . 1 1 39 39 SER HB3 H 1 3.794 0.030 . 2 . . . . 39 SER HB3 . 11244 1 444 . 1 1 39 39 SER C C 13 175.391 0.300 . 1 . . . . 39 SER C . 11244 1 445 . 1 1 39 39 SER CA C 13 61.176 0.300 . 1 . . . . 39 SER CA . 11244 1 446 . 1 1 39 39 SER CB C 13 62.739 0.300 . 1 . . . . 39 SER CB . 11244 1 447 . 1 1 39 39 SER N N 15 114.808 0.300 . 1 . . . . 39 SER N . 11244 1 448 . 1 1 40 40 TYR H H 1 7.644 0.030 . 1 . . . . 40 TYR H . 11244 1 449 . 1 1 40 40 TYR HA H 1 4.480 0.030 . 1 . . . . 40 TYR HA . 11244 1 450 . 1 1 40 40 TYR HB2 H 1 3.377 0.030 . 2 . . . . 40 TYR HB2 . 11244 1 451 . 1 1 40 40 TYR HB3 H 1 2.801 0.030 . 2 . . . . 40 TYR HB3 . 11244 1 452 . 1 1 40 40 TYR HD1 H 1 7.376 0.030 . 1 . . . . 40 TYR HD1 . 11244 1 453 . 1 1 40 40 TYR HD2 H 1 7.376 0.030 . 1 . . . . 40 TYR HD2 . 11244 1 454 . 1 1 40 40 TYR HE1 H 1 6.690 0.030 . 1 . . . . 40 TYR HE1 . 11244 1 455 . 1 1 40 40 TYR HE2 H 1 6.690 0.030 . 1 . . . . 40 TYR HE2 . 11244 1 456 . 1 1 40 40 TYR C C 13 174.724 0.300 . 1 . . . . 40 TYR C . 11244 1 457 . 1 1 40 40 TYR CA C 13 59.562 0.300 . 1 . . . . 40 TYR CA . 11244 1 458 . 1 1 40 40 TYR CB C 13 38.842 0.300 . 1 . . . . 40 TYR CB . 11244 1 459 . 1 1 40 40 TYR CD1 C 13 133.861 0.300 . 1 . . . . 40 TYR CD1 . 11244 1 460 . 1 1 40 40 TYR CD2 C 13 133.861 0.300 . 1 . . . . 40 TYR CD2 . 11244 1 461 . 1 1 40 40 TYR CE1 C 13 118.097 0.300 . 1 . . . . 40 TYR CE1 . 11244 1 462 . 1 1 40 40 TYR CE2 C 13 118.097 0.300 . 1 . . . . 40 TYR CE2 . 11244 1 463 . 1 1 40 40 TYR N N 15 119.785 0.300 . 1 . . . . 40 TYR N . 11244 1 464 . 1 1 41 41 LEU H H 1 7.574 0.030 . 1 . . . . 41 LEU H . 11244 1 465 . 1 1 41 41 LEU HA H 1 4.661 0.030 . 1 . . . . 41 LEU HA . 11244 1 466 . 1 1 41 41 LEU HB2 H 1 1.951 0.030 . 2 . . . . 41 LEU HB2 . 11244 1 467 . 1 1 41 41 LEU HB3 H 1 1.368 0.030 . 2 . . . . 41 LEU HB3 . 11244 1 468 . 1 1 41 41 LEU HD11 H 1 1.094 0.030 . 1 . . . . 41 LEU HD1 . 11244 1 469 . 1 1 41 41 LEU HD12 H 1 1.094 0.030 . 1 . . . . 41 LEU HD1 . 11244 1 470 . 1 1 41 41 LEU HD13 H 1 1.094 0.030 . 1 . . . . 41 LEU HD1 . 11244 1 471 . 1 1 41 41 LEU HD21 H 1 1.206 0.030 . 1 . . . . 41 LEU HD2 . 11244 1 472 . 1 1 41 41 LEU HD22 H 1 1.206 0.030 . 1 . . . . 41 LEU HD2 . 11244 1 473 . 1 1 41 41 LEU HD23 H 1 1.206 0.030 . 1 . . . . 41 LEU HD2 . 11244 1 474 . 1 1 41 41 LEU HG H 1 1.621 0.030 . 1 . . . . 41 LEU HG . 11244 1 475 . 1 1 41 41 LEU C C 13 175.728 0.300 . 1 . . . . 41 LEU C . 11244 1 476 . 1 1 41 41 LEU CA C 13 53.185 0.300 . 1 . . . . 41 LEU CA . 11244 1 477 . 1 1 41 41 LEU CB C 13 43.736 0.300 . 1 . . . . 41 LEU CB . 11244 1 478 . 1 1 41 41 LEU CD1 C 13 25.842 0.300 . 2 . . . . 41 LEU CD1 . 11244 1 479 . 1 1 41 41 LEU CD2 C 13 28.585 0.300 . 2 . . . . 41 LEU CD2 . 11244 1 480 . 1 1 41 41 LEU CG C 13 26.552 0.300 . 1 . . . . 41 LEU CG . 11244 1 481 . 1 1 41 41 LEU N N 15 123.062 0.300 . 1 . . . . 41 LEU N . 11244 1 482 . 1 1 42 42 GLU H H 1 8.648 0.030 . 1 . . . . 42 GLU H . 11244 1 483 . 1 1 42 42 GLU HA H 1 4.052 0.030 . 1 . . . . 42 GLU HA . 11244 1 484 . 1 1 42 42 GLU HB2 H 1 1.992 0.030 . 2 . . . . 42 GLU HB2 . 11244 1 485 . 1 1 42 42 GLU HB3 H 1 2.063 0.030 . 2 . . . . 42 GLU HB3 . 11244 1 486 . 1 1 42 42 GLU HG2 H 1 2.308 0.030 . 2 . . . . 42 GLU HG2 . 11244 1 487 . 1 1 42 42 GLU HG3 H 1 2.255 0.030 . 2 . . . . 42 GLU HG3 . 11244 1 488 . 1 1 42 42 GLU C C 13 178.168 0.300 . 1 . . . . 42 GLU C . 11244 1 489 . 1 1 42 42 GLU CA C 13 59.468 0.300 . 1 . . . . 42 GLU CA . 11244 1 490 . 1 1 42 42 GLU CB C 13 29.857 0.300 . 1 . . . . 42 GLU CB . 11244 1 491 . 1 1 42 42 GLU CG C 13 35.950 0.300 . 1 . . . . 42 GLU CG . 11244 1 492 . 1 1 42 42 GLU N N 15 124.717 0.300 . 1 . . . . 42 GLU N . 11244 1 493 . 1 1 43 43 ARG H H 1 9.628 0.030 . 1 . . . . 43 ARG H . 11244 1 494 . 1 1 43 43 ARG HA H 1 4.478 0.030 . 1 . . . . 43 ARG HA . 11244 1 495 . 1 1 43 43 ARG HB2 H 1 1.619 0.030 . 2 . . . . 43 ARG HB2 . 11244 1 496 . 1 1 43 43 ARG HB3 H 1 2.048 0.030 . 2 . . . . 43 ARG HB3 . 11244 1 497 . 1 1 43 43 ARG HD2 H 1 3.155 0.030 . 1 . . . . 43 ARG HD2 . 11244 1 498 . 1 1 43 43 ARG HD3 H 1 3.155 0.030 . 1 . . . . 43 ARG HD3 . 11244 1 499 . 1 1 43 43 ARG HG2 H 1 1.485 0.030 . 2 . . . . 43 ARG HG2 . 11244 1 500 . 1 1 43 43 ARG HG3 H 1 1.598 0.030 . 2 . . . . 43 ARG HG3 . 11244 1 501 . 1 1 43 43 ARG C C 13 175.916 0.300 . 1 . . . . 43 ARG C . 11244 1 502 . 1 1 43 43 ARG CA C 13 55.219 0.300 . 1 . . . . 43 ARG CA . 11244 1 503 . 1 1 43 43 ARG CB C 13 30.465 0.300 . 1 . . . . 43 ARG CB . 11244 1 504 . 1 1 43 43 ARG CD C 13 43.291 0.300 . 1 . . . . 43 ARG CD . 11244 1 505 . 1 1 43 43 ARG CG C 13 27.321 0.300 . 1 . . . . 43 ARG CG . 11244 1 506 . 1 1 43 43 ARG N N 15 116.458 0.300 . 1 . . . . 43 ARG N . 11244 1 507 . 1 1 44 44 LYS H H 1 7.082 0.030 . 1 . . . . 44 LYS H . 11244 1 508 . 1 1 44 44 LYS HA H 1 4.977 0.030 . 1 . . . . 44 LYS HA . 11244 1 509 . 1 1 44 44 LYS HB2 H 1 1.739 0.030 . 2 . . . . 44 LYS HB2 . 11244 1 510 . 1 1 44 44 LYS HB3 H 1 1.450 0.030 . 2 . . . . 44 LYS HB3 . 11244 1 511 . 1 1 44 44 LYS HD2 H 1 0.556 0.030 . 2 . . . . 44 LYS HD2 . 11244 1 512 . 1 1 44 44 LYS HD3 H 1 1.339 0.030 . 2 . . . . 44 LYS HD3 . 11244 1 513 . 1 1 44 44 LYS HE2 H 1 0.464 0.030 . 2 . . . . 44 LYS HE2 . 11244 1 514 . 1 1 44 44 LYS HE3 H 1 1.340 0.030 . 2 . . . . 44 LYS HE3 . 11244 1 515 . 1 1 44 44 LYS HG2 H 1 -0.217 0.030 . 2 . . . . 44 LYS HG2 . 11244 1 516 . 1 1 44 44 LYS HG3 H 1 0.699 0.030 . 2 . . . . 44 LYS HG3 . 11244 1 517 . 1 1 44 44 LYS C C 13 174.500 0.300 . 1 . . . . 44 LYS C . 11244 1 518 . 1 1 44 44 LYS CA C 13 52.631 0.300 . 1 . . . . 44 LYS CA . 11244 1 519 . 1 1 44 44 LYS CB C 13 34.927 0.300 . 1 . . . . 44 LYS CB . 11244 1 520 . 1 1 44 44 LYS CD C 13 28.541 0.300 . 1 . . . . 44 LYS CD . 11244 1 521 . 1 1 44 44 LYS CE C 13 40.356 0.300 . 1 . . . . 44 LYS CE . 11244 1 522 . 1 1 44 44 LYS CG C 13 22.955 0.300 . 1 . . . . 44 LYS CG . 11244 1 523 . 1 1 44 44 LYS N N 15 117.132 0.300 . 1 . . . . 44 LYS N . 11244 1 524 . 1 1 45 45 SER H H 1 9.332 0.030 . 1 . . . . 45 SER H . 11244 1 525 . 1 1 45 45 SER HA H 1 4.780 0.030 . 1 . . . . 45 SER HA . 11244 1 526 . 1 1 45 45 SER HB2 H 1 4.282 0.030 . 2 . . . . 45 SER HB2 . 11244 1 527 . 1 1 45 45 SER HB3 H 1 3.966 0.030 . 2 . . . . 45 SER HB3 . 11244 1 528 . 1 1 45 45 SER C C 13 175.702 0.300 . 1 . . . . 45 SER C . 11244 1 529 . 1 1 45 45 SER CA C 13 56.101 0.300 . 1 . . . . 45 SER CA . 11244 1 530 . 1 1 45 45 SER CB C 13 66.331 0.300 . 1 . . . . 45 SER CB . 11244 1 531 . 1 1 45 45 SER N N 15 119.047 0.300 . 1 . . . . 45 SER N . 11244 1 532 . 1 1 46 46 VAL H H 1 9.086 0.030 . 1 . . . . 46 VAL H . 11244 1 533 . 1 1 46 46 VAL HA H 1 3.796 0.030 . 1 . . . . 46 VAL HA . 11244 1 534 . 1 1 46 46 VAL HB H 1 2.386 0.030 . 1 . . . . 46 VAL HB . 11244 1 535 . 1 1 46 46 VAL HG11 H 1 0.936 0.030 . 1 . . . . 46 VAL HG1 . 11244 1 536 . 1 1 46 46 VAL HG12 H 1 0.936 0.030 . 1 . . . . 46 VAL HG1 . 11244 1 537 . 1 1 46 46 VAL HG13 H 1 0.936 0.030 . 1 . . . . 46 VAL HG1 . 11244 1 538 . 1 1 46 46 VAL HG21 H 1 1.172 0.030 . 1 . . . . 46 VAL HG2 . 11244 1 539 . 1 1 46 46 VAL HG22 H 1 1.172 0.030 . 1 . . . . 46 VAL HG2 . 11244 1 540 . 1 1 46 46 VAL HG23 H 1 1.172 0.030 . 1 . . . . 46 VAL HG2 . 11244 1 541 . 1 1 46 46 VAL C C 13 175.959 0.300 . 1 . . . . 46 VAL C . 11244 1 542 . 1 1 46 46 VAL CA C 13 70.120 0.300 . 1 . . . . 46 VAL CA . 11244 1 543 . 1 1 46 46 VAL CB C 13 29.085 0.300 . 1 . . . . 46 VAL CB . 11244 1 544 . 1 1 46 46 VAL CG1 C 13 21.407 0.300 . 2 . . . . 46 VAL CG1 . 11244 1 545 . 1 1 46 46 VAL CG2 C 13 24.580 0.300 . 2 . . . . 46 VAL CG2 . 11244 1 546 . 1 1 46 46 VAL N N 15 119.482 0.300 . 1 . . . . 46 VAL N . 11244 1 547 . 1 1 47 47 PRO HA H 1 4.150 0.030 . 1 . . . . 47 PRO HA . 11244 1 548 . 1 1 47 47 PRO HB2 H 1 2.259 0.030 . 2 . . . . 47 PRO HB2 . 11244 1 549 . 1 1 47 47 PRO HB3 H 1 1.832 0.030 . 2 . . . . 47 PRO HB3 . 11244 1 550 . 1 1 47 47 PRO HD2 H 1 3.768 0.030 . 2 . . . . 47 PRO HD2 . 11244 1 551 . 1 1 47 47 PRO HD3 H 1 3.903 0.030 . 2 . . . . 47 PRO HD3 . 11244 1 552 . 1 1 47 47 PRO HG2 H 1 1.932 0.030 . 2 . . . . 47 PRO HG2 . 11244 1 553 . 1 1 47 47 PRO HG3 H 1 2.164 0.030 . 2 . . . . 47 PRO HG3 . 11244 1 554 . 1 1 47 47 PRO C C 13 179.108 0.300 . 1 . . . . 47 PRO C . 11244 1 555 . 1 1 47 47 PRO CA C 13 66.429 0.300 . 1 . . . . 47 PRO CA . 11244 1 556 . 1 1 47 47 PRO CB C 13 30.869 0.300 . 1 . . . . 47 PRO CB . 11244 1 557 . 1 1 47 47 PRO CD C 13 49.093 0.300 . 1 . . . . 47 PRO CD . 11244 1 558 . 1 1 47 47 PRO CG C 13 28.262 0.300 . 1 . . . . 47 PRO CG . 11244 1 559 . 1 1 48 48 ASP H H 1 7.676 0.030 . 1 . . . . 48 ASP H . 11244 1 560 . 1 1 48 48 ASP HA H 1 4.544 0.030 . 1 . . . . 48 ASP HA . 11244 1 561 . 1 1 48 48 ASP HB2 H 1 2.799 0.030 . 2 . . . . 48 ASP HB2 . 11244 1 562 . 1 1 48 48 ASP HB3 H 1 3.373 0.030 . 2 . . . . 48 ASP HB3 . 11244 1 563 . 1 1 48 48 ASP C C 13 180.087 0.300 . 1 . . . . 48 ASP C . 11244 1 564 . 1 1 48 48 ASP CA C 13 57.995 0.300 . 1 . . . . 48 ASP CA . 11244 1 565 . 1 1 48 48 ASP CB C 13 41.489 0.300 . 1 . . . . 48 ASP CB . 11244 1 566 . 1 1 48 48 ASP N N 15 116.146 0.300 . 1 . . . . 48 ASP N . 11244 1 567 . 1 1 49 49 CYS H H 1 8.379 0.030 . 1 . . . . 49 CYS H . 11244 1 568 . 1 1 49 49 CYS HA H 1 4.591 0.030 . 1 . . . . 49 CYS HA . 11244 1 569 . 1 1 49 49 CYS HB2 H 1 3.100 0.030 . 2 . . . . 49 CYS HB2 . 11244 1 570 . 1 1 49 49 CYS HB3 H 1 3.862 0.030 . 2 . . . . 49 CYS HB3 . 11244 1 571 . 1 1 49 49 CYS C C 13 175.552 0.300 . 1 . . . . 49 CYS C . 11244 1 572 . 1 1 49 49 CYS CA C 13 65.241 0.300 . 1 . . . . 49 CYS CA . 11244 1 573 . 1 1 49 49 CYS CB C 13 28.057 0.300 . 1 . . . . 49 CYS CB . 11244 1 574 . 1 1 49 49 CYS N N 15 120.051 0.300 . 1 . . . . 49 CYS N . 11244 1 575 . 1 1 50 50 VAL H H 1 8.273 0.030 . 1 . . . . 50 VAL H . 11244 1 576 . 1 1 50 50 VAL HA H 1 2.760 0.030 . 1 . . . . 50 VAL HA . 11244 1 577 . 1 1 50 50 VAL HB H 1 1.902 0.030 . 1 . . . . 50 VAL HB . 11244 1 578 . 1 1 50 50 VAL HG11 H 1 0.458 0.030 . 1 . . . . 50 VAL HG1 . 11244 1 579 . 1 1 50 50 VAL HG12 H 1 0.458 0.030 . 1 . . . . 50 VAL HG1 . 11244 1 580 . 1 1 50 50 VAL HG13 H 1 0.458 0.030 . 1 . . . . 50 VAL HG1 . 11244 1 581 . 1 1 50 50 VAL HG21 H 1 0.778 0.030 . 1 . . . . 50 VAL HG2 . 11244 1 582 . 1 1 50 50 VAL HG22 H 1 0.778 0.030 . 1 . . . . 50 VAL HG2 . 11244 1 583 . 1 1 50 50 VAL HG23 H 1 0.778 0.030 . 1 . . . . 50 VAL HG2 . 11244 1 584 . 1 1 50 50 VAL C C 13 177.658 0.300 . 1 . . . . 50 VAL C . 11244 1 585 . 1 1 50 50 VAL CA C 13 66.544 0.300 . 1 . . . . 50 VAL CA . 11244 1 586 . 1 1 50 50 VAL CB C 13 31.750 0.300 . 1 . . . . 50 VAL CB . 11244 1 587 . 1 1 50 50 VAL CG1 C 13 21.938 0.300 . 2 . . . . 50 VAL CG1 . 11244 1 588 . 1 1 50 50 VAL CG2 C 13 21.592 0.300 . 2 . . . . 50 VAL CG2 . 11244 1 589 . 1 1 50 50 VAL N N 15 121.381 0.300 . 1 . . . . 50 VAL N . 11244 1 590 . 1 1 51 51 LEU H H 1 8.065 0.030 . 1 . . . . 51 LEU H . 11244 1 591 . 1 1 51 51 LEU HA H 1 4.085 0.030 . 1 . . . . 51 LEU HA . 11244 1 592 . 1 1 51 51 LEU HB2 H 1 1.747 0.030 . 1 . . . . 51 LEU HB2 . 11244 1 593 . 1 1 51 51 LEU HB3 H 1 1.747 0.030 . 1 . . . . 51 LEU HB3 . 11244 1 594 . 1 1 51 51 LEU HD11 H 1 0.921 0.030 . 1 . . . . 51 LEU HD1 . 11244 1 595 . 1 1 51 51 LEU HD12 H 1 0.921 0.030 . 1 . . . . 51 LEU HD1 . 11244 1 596 . 1 1 51 51 LEU HD13 H 1 0.921 0.030 . 1 . . . . 51 LEU HD1 . 11244 1 597 . 1 1 51 51 LEU HD21 H 1 0.823 0.030 . 1 . . . . 51 LEU HD2 . 11244 1 598 . 1 1 51 51 LEU HD22 H 1 0.823 0.030 . 1 . . . . 51 LEU HD2 . 11244 1 599 . 1 1 51 51 LEU HD23 H 1 0.823 0.030 . 1 . . . . 51 LEU HD2 . 11244 1 600 . 1 1 51 51 LEU HG H 1 1.662 0.030 . 1 . . . . 51 LEU HG . 11244 1 601 . 1 1 51 51 LEU C C 13 178.503 0.300 . 1 . . . . 51 LEU C . 11244 1 602 . 1 1 51 51 LEU CA C 13 58.080 0.300 . 1 . . . . 51 LEU CA . 11244 1 603 . 1 1 51 51 LEU CB C 13 41.676 0.300 . 1 . . . . 51 LEU CB . 11244 1 604 . 1 1 51 51 LEU CD1 C 13 24.217 0.300 . 2 . . . . 51 LEU CD1 . 11244 1 605 . 1 1 51 51 LEU CD2 C 13 24.467 0.300 . 2 . . . . 51 LEU CD2 . 11244 1 606 . 1 1 51 51 LEU CG C 13 27.080 0.300 . 1 . . . . 51 LEU CG . 11244 1 607 . 1 1 51 51 LEU N N 15 118.801 0.300 . 1 . . . . 51 LEU N . 11244 1 608 . 1 1 52 52 TYR H H 1 8.026 0.030 . 1 . . . . 52 TYR H . 11244 1 609 . 1 1 52 52 TYR HA H 1 3.676 0.030 . 1 . . . . 52 TYR HA . 11244 1 610 . 1 1 52 52 TYR HB2 H 1 2.598 0.030 . 2 . . . . 52 TYR HB2 . 11244 1 611 . 1 1 52 52 TYR HB3 H 1 2.251 0.030 . 2 . . . . 52 TYR HB3 . 11244 1 612 . 1 1 52 52 TYR HD1 H 1 5.063 0.030 . 1 . . . . 52 TYR HD1 . 11244 1 613 . 1 1 52 52 TYR HD2 H 1 5.063 0.030 . 1 . . . . 52 TYR HD2 . 11244 1 614 . 1 1 52 52 TYR HE1 H 1 5.776 0.030 . 1 . . . . 52 TYR HE1 . 11244 1 615 . 1 1 52 52 TYR HE2 H 1 5.776 0.030 . 1 . . . . 52 TYR HE2 . 11244 1 616 . 1 1 52 52 TYR C C 13 177.810 0.300 . 1 . . . . 52 TYR C . 11244 1 617 . 1 1 52 52 TYR CA C 13 61.796 0.300 . 1 . . . . 52 TYR CA . 11244 1 618 . 1 1 52 52 TYR CB C 13 39.097 0.300 . 1 . . . . 52 TYR CB . 11244 1 619 . 1 1 52 52 TYR CD1 C 13 131.239 0.300 . 1 . . . . 52 TYR CD1 . 11244 1 620 . 1 1 52 52 TYR CD2 C 13 131.239 0.300 . 1 . . . . 52 TYR CD2 . 11244 1 621 . 1 1 52 52 TYR CE1 C 13 116.311 0.300 . 1 . . . . 52 TYR CE1 . 11244 1 622 . 1 1 52 52 TYR CE2 C 13 116.311 0.300 . 1 . . . . 52 TYR CE2 . 11244 1 623 . 1 1 52 52 TYR N N 15 119.034 0.300 . 1 . . . . 52 TYR N . 11244 1 624 . 1 1 53 53 TYR H H 1 8.078 0.030 . 1 . . . . 53 TYR H . 11244 1 625 . 1 1 53 53 TYR HA H 1 3.681 0.030 . 1 . . . . 53 TYR HA . 11244 1 626 . 1 1 53 53 TYR HB2 H 1 3.353 0.030 . 2 . . . . 53 TYR HB2 . 11244 1 627 . 1 1 53 53 TYR HB3 H 1 3.187 0.030 . 2 . . . . 53 TYR HB3 . 11244 1 628 . 1 1 53 53 TYR HD1 H 1 6.643 0.030 . 1 . . . . 53 TYR HD1 . 11244 1 629 . 1 1 53 53 TYR HD2 H 1 6.643 0.030 . 1 . . . . 53 TYR HD2 . 11244 1 630 . 1 1 53 53 TYR HE1 H 1 6.596 0.030 . 1 . . . . 53 TYR HE1 . 11244 1 631 . 1 1 53 53 TYR HE2 H 1 6.596 0.030 . 1 . . . . 53 TYR HE2 . 11244 1 632 . 1 1 53 53 TYR C C 13 176.852 0.300 . 1 . . . . 53 TYR C . 11244 1 633 . 1 1 53 53 TYR CA C 13 60.966 0.300 . 1 . . . . 53 TYR CA . 11244 1 634 . 1 1 53 53 TYR CB C 13 38.750 0.300 . 1 . . . . 53 TYR CB . 11244 1 635 . 1 1 53 53 TYR CD1 C 13 133.023 0.300 . 1 . . . . 53 TYR CD1 . 11244 1 636 . 1 1 53 53 TYR CD2 C 13 133.023 0.300 . 1 . . . . 53 TYR CD2 . 11244 1 637 . 1 1 53 53 TYR CE1 C 13 118.263 0.300 . 1 . . . . 53 TYR CE1 . 11244 1 638 . 1 1 53 53 TYR CE2 C 13 118.263 0.300 . 1 . . . . 53 TYR CE2 . 11244 1 639 . 1 1 53 53 TYR N N 15 119.583 0.300 . 1 . . . . 53 TYR N . 11244 1 640 . 1 1 54 54 TYR H H 1 8.040 0.030 . 1 . . . . 54 TYR H . 11244 1 641 . 1 1 54 54 TYR HA H 1 3.791 0.030 . 1 . . . . 54 TYR HA . 11244 1 642 . 1 1 54 54 TYR HB2 H 1 2.918 0.030 . 2 . . . . 54 TYR HB2 . 11244 1 643 . 1 1 54 54 TYR HB3 H 1 3.049 0.030 . 2 . . . . 54 TYR HB3 . 11244 1 644 . 1 1 54 54 TYR HD1 H 1 7.205 0.030 . 1 . . . . 54 TYR HD1 . 11244 1 645 . 1 1 54 54 TYR HD2 H 1 7.205 0.030 . 1 . . . . 54 TYR HD2 . 11244 1 646 . 1 1 54 54 TYR HE1 H 1 6.898 0.030 . 1 . . . . 54 TYR HE1 . 11244 1 647 . 1 1 54 54 TYR HE2 H 1 6.898 0.030 . 1 . . . . 54 TYR HE2 . 11244 1 648 . 1 1 54 54 TYR C C 13 178.106 0.300 . 1 . . . . 54 TYR C . 11244 1 649 . 1 1 54 54 TYR CA C 13 61.875 0.300 . 1 . . . . 54 TYR CA . 11244 1 650 . 1 1 54 54 TYR CB C 13 38.000 0.300 . 1 . . . . 54 TYR CB . 11244 1 651 . 1 1 54 54 TYR CD1 C 13 133.072 0.300 . 1 . . . . 54 TYR CD1 . 11244 1 652 . 1 1 54 54 TYR CD2 C 13 133.072 0.300 . 1 . . . . 54 TYR CD2 . 11244 1 653 . 1 1 54 54 TYR CE1 C 13 118.048 0.300 . 1 . . . . 54 TYR CE1 . 11244 1 654 . 1 1 54 54 TYR CE2 C 13 118.048 0.300 . 1 . . . . 54 TYR CE2 . 11244 1 655 . 1 1 54 54 TYR N N 15 117.000 0.300 . 1 . . . . 54 TYR N . 11244 1 656 . 1 1 55 55 LEU H H 1 8.203 0.030 . 1 . . . . 55 LEU H . 11244 1 657 . 1 1 55 55 LEU HA H 1 4.040 0.030 . 1 . . . . 55 LEU HA . 11244 1 658 . 1 1 55 55 LEU HB2 H 1 1.633 0.030 . 2 . . . . 55 LEU HB2 . 11244 1 659 . 1 1 55 55 LEU HB3 H 1 1.391 0.030 . 2 . . . . 55 LEU HB3 . 11244 1 660 . 1 1 55 55 LEU HD11 H 1 0.793 0.030 . 1 . . . . 55 LEU HD1 . 11244 1 661 . 1 1 55 55 LEU HD12 H 1 0.793 0.030 . 1 . . . . 55 LEU HD1 . 11244 1 662 . 1 1 55 55 LEU HD13 H 1 0.793 0.030 . 1 . . . . 55 LEU HD1 . 11244 1 663 . 1 1 55 55 LEU HD21 H 1 0.823 0.030 . 1 . . . . 55 LEU HD2 . 11244 1 664 . 1 1 55 55 LEU HD22 H 1 0.823 0.030 . 1 . . . . 55 LEU HD2 . 11244 1 665 . 1 1 55 55 LEU HD23 H 1 0.823 0.030 . 1 . . . . 55 LEU HD2 . 11244 1 666 . 1 1 55 55 LEU HG H 1 1.681 0.030 . 1 . . . . 55 LEU HG . 11244 1 667 . 1 1 55 55 LEU C C 13 178.865 0.300 . 1 . . . . 55 LEU C . 11244 1 668 . 1 1 55 55 LEU CA C 13 56.843 0.300 . 1 . . . . 55 LEU CA . 11244 1 669 . 1 1 55 55 LEU CB C 13 42.082 0.300 . 1 . . . . 55 LEU CB . 11244 1 670 . 1 1 55 55 LEU CD1 C 13 23.198 0.300 . 2 . . . . 55 LEU CD1 . 11244 1 671 . 1 1 55 55 LEU CD2 C 13 25.303 0.300 . 2 . . . . 55 LEU CD2 . 11244 1 672 . 1 1 55 55 LEU CG C 13 26.733 0.300 . 1 . . . . 55 LEU CG . 11244 1 673 . 1 1 55 55 LEU N N 15 118.564 0.300 . 1 . . . . 55 LEU N . 11244 1 674 . 1 1 56 56 THR H H 1 7.337 0.030 . 1 . . . . 56 THR H . 11244 1 675 . 1 1 56 56 THR HA H 1 3.990 0.030 . 1 . . . . 56 THR HA . 11244 1 676 . 1 1 56 56 THR HB H 1 3.824 0.030 . 1 . . . . 56 THR HB . 11244 1 677 . 1 1 56 56 THR HG21 H 1 0.557 0.030 . 1 . . . . 56 THR HG2 . 11244 1 678 . 1 1 56 56 THR HG22 H 1 0.557 0.030 . 1 . . . . 56 THR HG2 . 11244 1 679 . 1 1 56 56 THR HG23 H 1 0.557 0.030 . 1 . . . . 56 THR HG2 . 11244 1 680 . 1 1 56 56 THR C C 13 175.415 0.300 . 1 . . . . 56 THR C . 11244 1 681 . 1 1 56 56 THR CA C 13 62.847 0.300 . 1 . . . . 56 THR CA . 11244 1 682 . 1 1 56 56 THR CB C 13 69.643 0.300 . 1 . . . . 56 THR CB . 11244 1 683 . 1 1 56 56 THR CG2 C 13 20.900 0.300 . 1 . . . . 56 THR CG2 . 11244 1 684 . 1 1 56 56 THR N N 15 109.585 0.300 . 1 . . . . 56 THR N . 11244 1 685 . 1 1 57 57 LYS H H 1 7.447 0.030 . 1 . . . . 57 LYS H . 11244 1 686 . 1 1 57 57 LYS HA H 1 3.985 0.030 . 1 . . . . 57 LYS HA . 11244 1 687 . 1 1 57 57 LYS HB2 H 1 1.417 0.030 . 1 . . . . 57 LYS HB2 . 11244 1 688 . 1 1 57 57 LYS HB3 H 1 1.417 0.030 . 1 . . . . 57 LYS HB3 . 11244 1 689 . 1 1 57 57 LYS HD2 H 1 1.343 0.030 . 1 . . . . 57 LYS HD2 . 11244 1 690 . 1 1 57 57 LYS HD3 H 1 1.343 0.030 . 1 . . . . 57 LYS HD3 . 11244 1 691 . 1 1 57 57 LYS HE2 H 1 2.838 0.030 . 2 . . . . 57 LYS HE2 . 11244 1 692 . 1 1 57 57 LYS HE3 H 1 2.877 0.030 . 2 . . . . 57 LYS HE3 . 11244 1 693 . 1 1 57 57 LYS HG2 H 1 1.110 0.030 . 2 . . . . 57 LYS HG2 . 11244 1 694 . 1 1 57 57 LYS HG3 H 1 1.048 0.030 . 2 . . . . 57 LYS HG3 . 11244 1 695 . 1 1 57 57 LYS C C 13 176.700 0.300 . 1 . . . . 57 LYS C . 11244 1 696 . 1 1 57 57 LYS CA C 13 56.468 0.300 . 1 . . . . 57 LYS CA . 11244 1 697 . 1 1 57 57 LYS CB C 13 31.586 0.300 . 1 . . . . 57 LYS CB . 11244 1 698 . 1 1 57 57 LYS CD C 13 28.581 0.300 . 1 . . . . 57 LYS CD . 11244 1 699 . 1 1 57 57 LYS CE C 13 41.864 0.300 . 1 . . . . 57 LYS CE . 11244 1 700 . 1 1 57 57 LYS CG C 13 23.443 0.300 . 1 . . . . 57 LYS CG . 11244 1 701 . 1 1 57 57 LYS N N 15 122.606 0.300 . 1 . . . . 57 LYS N . 11244 1 702 . 1 1 58 58 LYS H H 1 7.971 0.030 . 1 . . . . 58 LYS H . 11244 1 703 . 1 1 58 58 LYS HA H 1 4.142 0.030 . 1 . . . . 58 LYS HA . 11244 1 704 . 1 1 58 58 LYS HB2 H 1 1.656 0.030 . 2 . . . . 58 LYS HB2 . 11244 1 705 . 1 1 58 58 LYS HB3 H 1 1.738 0.030 . 2 . . . . 58 LYS HB3 . 11244 1 706 . 1 1 58 58 LYS HD2 H 1 1.591 0.030 . 1 . . . . 58 LYS HD2 . 11244 1 707 . 1 1 58 58 LYS HD3 H 1 1.591 0.030 . 1 . . . . 58 LYS HD3 . 11244 1 708 . 1 1 58 58 LYS HE2 H 1 2.919 0.030 . 1 . . . . 58 LYS HE2 . 11244 1 709 . 1 1 58 58 LYS HE3 H 1 2.919 0.030 . 1 . . . . 58 LYS HE3 . 11244 1 710 . 1 1 58 58 LYS HG2 H 1 1.353 0.030 . 2 . . . . 58 LYS HG2 . 11244 1 711 . 1 1 58 58 LYS HG3 H 1 1.312 0.030 . 2 . . . . 58 LYS HG3 . 11244 1 712 . 1 1 58 58 LYS C C 13 176.440 0.300 . 1 . . . . 58 LYS C . 11244 1 713 . 1 1 58 58 LYS CA C 13 56.533 0.300 . 1 . . . . 58 LYS CA . 11244 1 714 . 1 1 58 58 LYS CB C 13 32.655 0.300 . 1 . . . . 58 LYS CB . 11244 1 715 . 1 1 58 58 LYS CD C 13 28.927 0.300 . 1 . . . . 58 LYS CD . 11244 1 716 . 1 1 58 58 LYS CE C 13 42.049 0.300 . 1 . . . . 58 LYS CE . 11244 1 717 . 1 1 58 58 LYS CG C 13 24.475 0.300 . 1 . . . . 58 LYS CG . 11244 1 718 . 1 1 58 58 LYS N N 15 121.515 0.300 . 1 . . . . 58 LYS N . 11244 1 719 . 1 1 59 59 ASN H H 1 8.241 0.030 . 1 . . . . 59 ASN H . 11244 1 720 . 1 1 59 59 ASN HA H 1 4.658 0.030 . 1 . . . . 59 ASN HA . 11244 1 721 . 1 1 59 59 ASN HB2 H 1 2.814 0.030 . 2 . . . . 59 ASN HB2 . 11244 1 722 . 1 1 59 59 ASN HB3 H 1 2.689 0.030 . 2 . . . . 59 ASN HB3 . 11244 1 723 . 1 1 59 59 ASN HD21 H 1 7.577 0.030 . 2 . . . . 59 ASN HD21 . 11244 1 724 . 1 1 59 59 ASN HD22 H 1 6.902 0.030 . 2 . . . . 59 ASN HD22 . 11244 1 725 . 1 1 59 59 ASN C C 13 174.970 0.300 . 1 . . . . 59 ASN C . 11244 1 726 . 1 1 59 59 ASN CA C 13 53.431 0.300 . 1 . . . . 59 ASN CA . 11244 1 727 . 1 1 59 59 ASN CB C 13 38.872 0.300 . 1 . . . . 59 ASN CB . 11244 1 728 . 1 1 59 59 ASN N N 15 118.893 0.300 . 1 . . . . 59 ASN N . 11244 1 729 . 1 1 59 59 ASN ND2 N 15 113.272 0.300 . 1 . . . . 59 ASN ND2 . 11244 1 730 . 1 1 60 60 GLU H H 1 8.205 0.030 . 1 . . . . 60 GLU H . 11244 1 731 . 1 1 60 60 GLU HA H 1 4.307 0.030 . 1 . . . . 60 GLU HA . 11244 1 732 . 1 1 60 60 GLU HB2 H 1 2.098 0.030 . 2 . . . . 60 GLU HB2 . 11244 1 733 . 1 1 60 60 GLU HB3 H 1 1.902 0.030 . 2 . . . . 60 GLU HB3 . 11244 1 734 . 1 1 60 60 GLU HG2 H 1 2.260 0.030 . 2 . . . . 60 GLU HG2 . 11244 1 735 . 1 1 60 60 GLU HG3 H 1 2.219 0.030 . 2 . . . . 60 GLU HG3 . 11244 1 736 . 1 1 60 60 GLU C C 13 175.254 0.300 . 1 . . . . 60 GLU C . 11244 1 737 . 1 1 60 60 GLU CA C 13 56.490 0.300 . 1 . . . . 60 GLU CA . 11244 1 738 . 1 1 60 60 GLU CB C 13 30.502 0.300 . 1 . . . . 60 GLU CB . 11244 1 739 . 1 1 60 60 GLU CG C 13 36.278 0.300 . 1 . . . . 60 GLU CG . 11244 1 740 . 1 1 60 60 GLU N N 15 121.093 0.300 . 1 . . . . 60 GLU N . 11244 1 741 . 1 1 61 61 ASN H H 1 8.048 0.030 . 1 . . . . 61 ASN H . 11244 1 742 . 1 1 61 61 ASN HA H 1 4.463 0.030 . 1 . . . . 61 ASN HA . 11244 1 743 . 1 1 61 61 ASN HB2 H 1 2.668 0.030 . 2 . . . . 61 ASN HB2 . 11244 1 744 . 1 1 61 61 ASN HB3 H 1 2.776 0.030 . 2 . . . . 61 ASN HB3 . 11244 1 745 . 1 1 61 61 ASN C C 13 179.495 0.300 . 1 . . . . 61 ASN C . 11244 1 746 . 1 1 61 61 ASN CA C 13 54.837 0.300 . 1 . . . . 61 ASN CA . 11244 1 747 . 1 1 61 61 ASN CB C 13 40.480 0.300 . 1 . . . . 61 ASN CB . 11244 1 748 . 1 1 61 61 ASN N N 15 124.426 0.300 . 1 . . . . 61 ASN N . 11244 1 stop_ save_