data_11273 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11273 _Entry.Title ; Solution Structure of the Novel Identified UBA-like Domain in the N-terminal of Human Fas Associated Factor 1 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _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 C. Zhao . . . 11273 2 T. Kigawa . . . 11273 3 T. Tomizawa . . . 11273 4 S. Koshiba . . . 11273 5 M. Inoue . . . 11273 6 S. Yokoyama . . . 11273 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)' . 11273 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11273 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 211 11273 '15N chemical shifts' 54 11273 '1H chemical shifts' 334 11273 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 . . 2011-08-18 2010-08-09 original author . 11273 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DAL 'BMRB Entry Tracking System' 11273 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11273 _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 Novel Identified UBA-like Domain in the N-terminal of Human Fas Associated Factor 1 Protein ; _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 C. Zhao . . . 11273 1 2 T. Kigawa . . . 11273 1 3 T. Tomizawa . . . 11273 1 4 S. Koshiba . . . 11273 1 5 M. Inoue . . . 11273 1 6 S. Yokoyama . . . 11273 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11273 _Assembly.ID 1 _Assembly.Name 'Protein KIAA0794' _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 'UBA-like domain' 1 $entity_1 A . yes native no no . . . 11273 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 2dal . . . . . . 11273 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11273 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'UBA-like 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 ; GSSGSSGGSAASSALKGLIQ QFTTITGASESVGKHMLEAC NNNLEMAVTMFLDGGGSGPS SG ; _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 62 _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 2DAL . "Solution Structure Of The Novel Identified Uba-Like Domain In The N-Terminal Of Human Fas Associated Factor 1 Protein" . . . . . 100.00 62 100.00 100.00 5.51e-33 . . . . 11273 1 2 no GB EDM11425 . "rCG52671, isoform CRA_a [Rattus norvegicus]" . . . . . 67.74 490 97.62 97.62 9.35e-19 . . . . 11273 1 3 no GB EDM11426 . "rCG52671, isoform CRA_b [Rattus norvegicus]" . . . . . 67.74 468 97.62 97.62 8.08e-19 . . . . 11273 1 4 no GB EDM11427 . "rCG52671, isoform CRA_c [Rattus norvegicus]" . . . . . 67.74 106 97.62 97.62 5.33e-20 . . . . 11273 1 5 no GB KFM11413 . "UBX domain-containing protein 7, partial [Aptenodytes forsteri]" . . . . . 51.61 468 100.00 100.00 2.37e-12 . . . . 11273 1 6 no GB KFO08321 . "UBX domain-containing protein 7, partial [Balearica regulorum gibbericeps]" . . . . . 51.61 468 100.00 100.00 2.37e-12 . . . . 11273 1 7 no REF NP_001100556 . "UBX domain-containing protein 7 [Rattus norvegicus]" . . . . . 67.74 106 97.62 97.62 5.33e-20 . . . . 11273 1 8 no REF XP_003477156 . "PREDICTED: LOW QUALITY PROTEIN: UBX domain-containing protein 7 [Cavia porcellus]" . . . . . 67.74 490 97.62 97.62 9.35e-19 . . . . 11273 1 9 no REF XP_004003056 . "PREDICTED: UBX domain-containing protein 7 [Ovis aries]" . . . . . 67.74 489 97.62 97.62 9.30e-19 . . . . 11273 1 10 no REF XP_004644633 . "PREDICTED: UBX domain-containing protein 7 [Octodon degus]" . . . . . 67.74 488 97.62 97.62 1.16e-18 . . . . 11273 1 11 no REF XP_004712317 . "PREDICTED: UBX domain-containing protein 7 [Echinops telfairi]" . . . . . 67.74 489 97.62 97.62 9.30e-19 . . . . 11273 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'UBA-like domain' . 11273 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 . 11273 1 2 . SER . 11273 1 3 . SER . 11273 1 4 . GLY . 11273 1 5 . SER . 11273 1 6 . SER . 11273 1 7 . GLY . 11273 1 8 . GLY . 11273 1 9 . SER . 11273 1 10 . ALA . 11273 1 11 . ALA . 11273 1 12 . SER . 11273 1 13 . SER . 11273 1 14 . ALA . 11273 1 15 . LEU . 11273 1 16 . LYS . 11273 1 17 . GLY . 11273 1 18 . LEU . 11273 1 19 . ILE . 11273 1 20 . GLN . 11273 1 21 . GLN . 11273 1 22 . PHE . 11273 1 23 . THR . 11273 1 24 . THR . 11273 1 25 . ILE . 11273 1 26 . THR . 11273 1 27 . GLY . 11273 1 28 . ALA . 11273 1 29 . SER . 11273 1 30 . GLU . 11273 1 31 . SER . 11273 1 32 . VAL . 11273 1 33 . GLY . 11273 1 34 . LYS . 11273 1 35 . HIS . 11273 1 36 . MET . 11273 1 37 . LEU . 11273 1 38 . GLU . 11273 1 39 . ALA . 11273 1 40 . CYS . 11273 1 41 . ASN . 11273 1 42 . ASN . 11273 1 43 . ASN . 11273 1 44 . LEU . 11273 1 45 . GLU . 11273 1 46 . MET . 11273 1 47 . ALA . 11273 1 48 . VAL . 11273 1 49 . THR . 11273 1 50 . MET . 11273 1 51 . PHE . 11273 1 52 . LEU . 11273 1 53 . ASP . 11273 1 54 . GLY . 11273 1 55 . GLY . 11273 1 56 . GLY . 11273 1 57 . SER . 11273 1 58 . GLY . 11273 1 59 . PRO . 11273 1 60 . SER . 11273 1 61 . SER . 11273 1 62 . GLY . 11273 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 11273 1 . SER 2 2 11273 1 . SER 3 3 11273 1 . GLY 4 4 11273 1 . SER 5 5 11273 1 . SER 6 6 11273 1 . GLY 7 7 11273 1 . GLY 8 8 11273 1 . SER 9 9 11273 1 . ALA 10 10 11273 1 . ALA 11 11 11273 1 . SER 12 12 11273 1 . SER 13 13 11273 1 . ALA 14 14 11273 1 . LEU 15 15 11273 1 . LYS 16 16 11273 1 . GLY 17 17 11273 1 . LEU 18 18 11273 1 . ILE 19 19 11273 1 . GLN 20 20 11273 1 . GLN 21 21 11273 1 . PHE 22 22 11273 1 . THR 23 23 11273 1 . THR 24 24 11273 1 . ILE 25 25 11273 1 . THR 26 26 11273 1 . GLY 27 27 11273 1 . ALA 28 28 11273 1 . SER 29 29 11273 1 . GLU 30 30 11273 1 . SER 31 31 11273 1 . VAL 32 32 11273 1 . GLY 33 33 11273 1 . LYS 34 34 11273 1 . HIS 35 35 11273 1 . MET 36 36 11273 1 . LEU 37 37 11273 1 . GLU 38 38 11273 1 . ALA 39 39 11273 1 . CYS 40 40 11273 1 . ASN 41 41 11273 1 . ASN 42 42 11273 1 . ASN 43 43 11273 1 . LEU 44 44 11273 1 . GLU 45 45 11273 1 . MET 46 46 11273 1 . ALA 47 47 11273 1 . VAL 48 48 11273 1 . THR 49 49 11273 1 . MET 50 50 11273 1 . PHE 51 51 11273 1 . LEU 52 52 11273 1 . ASP 53 53 11273 1 . GLY 54 54 11273 1 . GLY 55 55 11273 1 . GLY 56 56 11273 1 . SER 57 57 11273 1 . GLY 58 58 11273 1 . PRO 59 59 11273 1 . SER 60 60 11273 1 . SER 61 61 11273 1 . GLY 62 62 11273 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 11273 _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 . . . . . . . . . . . . . . . . . . . . . 11273 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 11273 _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 . . . . . . . . . . . . . plasmid . . P050815-24 . . . . . . 11273 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11273 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.26mM UBA-like domain U-15N, {13C;} 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 'UBA-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.26 . . mM . . . . 11273 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11273 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11273 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11273 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11273 1 6 H2O . . . . . . solvent 90 . . % . . . . 11273 1 7 D2O . . . . . . solvent 10 . . % . . . . 11273 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 11273 _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 11273 1 pH 7.0 0.05 pH 11273 1 pressure 1 0.001 atm 11273 1 temperature 296.0 0.1 K 11273 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11273 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11273 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11273 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11273 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11273 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11273 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11273 _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.' . . 11273 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11273 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11273 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11273 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11273 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11273 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11273 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11273 5 'structure solution' 11273 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 11273 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11273 _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 . 700 . . . 11273 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 11273 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11273 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11273 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 11273 _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 . . . . . . . . . 11273 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11273 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11273 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 11273 _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 15N-separated NOESY' 1 $sample_1 isotropic 11273 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11273 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 $XWINNMR . . 11273 1 2 $NMRPipe . . 11273 1 3 $NMRView . . 11273 1 4 $Kujira . . 11273 1 5 $CYANA . . 11273 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 10 10 ALA HA H 1 4.303 0.030 . 1 . . . . 10 ALA HA . 11273 1 2 . 1 1 10 10 ALA HB1 H 1 1.406 0.030 . 1 . . . . 10 ALA HB . 11273 1 3 . 1 1 10 10 ALA HB2 H 1 1.406 0.030 . 1 . . . . 10 ALA HB . 11273 1 4 . 1 1 10 10 ALA HB3 H 1 1.406 0.030 . 1 . . . . 10 ALA HB . 11273 1 5 . 1 1 10 10 ALA C C 13 178.194 0.300 . 1 . . . . 10 ALA C . 11273 1 6 . 1 1 10 10 ALA CA C 13 53.003 0.300 . 1 . . . . 10 ALA CA . 11273 1 7 . 1 1 10 10 ALA CB C 13 19.014 0.300 . 1 . . . . 10 ALA CB . 11273 1 8 . 1 1 11 11 ALA H H 1 8.246 0.030 . 1 . . . . 11 ALA H . 11273 1 9 . 1 1 11 11 ALA HA H 1 4.296 0.030 . 1 . . . . 11 ALA HA . 11273 1 10 . 1 1 11 11 ALA HB1 H 1 1.407 0.030 . 1 . . . . 11 ALA HB . 11273 1 11 . 1 1 11 11 ALA HB2 H 1 1.407 0.030 . 1 . . . . 11 ALA HB . 11273 1 12 . 1 1 11 11 ALA HB3 H 1 1.407 0.030 . 1 . . . . 11 ALA HB . 11273 1 13 . 1 1 11 11 ALA C C 13 178.509 0.300 . 1 . . . . 11 ALA C . 11273 1 14 . 1 1 11 11 ALA CA C 13 53.144 0.300 . 1 . . . . 11 ALA CA . 11273 1 15 . 1 1 11 11 ALA CB C 13 19.014 0.300 . 1 . . . . 11 ALA CB . 11273 1 16 . 1 1 11 11 ALA N N 15 122.802 0.300 . 1 . . . . 11 ALA N . 11273 1 17 . 1 1 12 12 SER H H 1 8.239 0.030 . 1 . . . . 12 SER H . 11273 1 18 . 1 1 12 12 SER HA H 1 4.396 0.030 . 1 . . . . 12 SER HA . 11273 1 19 . 1 1 12 12 SER HB2 H 1 4.008 0.030 . 2 . . . . 12 SER HB2 . 11273 1 20 . 1 1 12 12 SER HB3 H 1 3.915 0.030 . 2 . . . . 12 SER HB3 . 11273 1 21 . 1 1 12 12 SER C C 13 175.626 0.300 . 1 . . . . 12 SER C . 11273 1 22 . 1 1 12 12 SER CA C 13 58.973 0.300 . 1 . . . . 12 SER CA . 11273 1 23 . 1 1 12 12 SER CB C 13 63.674 0.300 . 1 . . . . 12 SER CB . 11273 1 24 . 1 1 12 12 SER N N 15 115.084 0.300 . 1 . . . . 12 SER N . 11273 1 25 . 1 1 13 13 SER H H 1 8.147 0.030 . 1 . . . . 13 SER H . 11273 1 26 . 1 1 13 13 SER HA H 1 4.359 0.030 . 1 . . . . 13 SER HA . 11273 1 27 . 1 1 13 13 SER HB2 H 1 3.917 0.030 . 2 . . . . 13 SER HB2 . 11273 1 28 . 1 1 13 13 SER HB3 H 1 3.964 0.030 . 2 . . . . 13 SER HB3 . 11273 1 29 . 1 1 13 13 SER C C 13 175.819 0.300 . 1 . . . . 13 SER C . 11273 1 30 . 1 1 13 13 SER CA C 13 59.744 0.300 . 1 . . . . 13 SER CA . 11273 1 31 . 1 1 13 13 SER CB C 13 63.263 0.300 . 1 . . . . 13 SER CB . 11273 1 32 . 1 1 14 14 ALA H H 1 8.350 0.030 . 1 . . . . 14 ALA H . 11273 1 33 . 1 1 14 14 ALA HA H 1 4.302 0.030 . 1 . . . . 14 ALA HA . 11273 1 34 . 1 1 14 14 ALA HB1 H 1 1.455 0.030 . 1 . . . . 14 ALA HB . 11273 1 35 . 1 1 14 14 ALA HB2 H 1 1.455 0.030 . 1 . . . . 14 ALA HB . 11273 1 36 . 1 1 14 14 ALA HB3 H 1 1.455 0.030 . 1 . . . . 14 ALA HB . 11273 1 37 . 1 1 14 14 ALA C C 13 179.430 0.300 . 1 . . . . 14 ALA C . 11273 1 38 . 1 1 14 14 ALA CA C 13 53.850 0.300 . 1 . . . . 14 ALA CA . 11273 1 39 . 1 1 14 14 ALA CB C 13 18.559 0.300 . 1 . . . . 14 ALA CB . 11273 1 40 . 1 1 14 14 ALA N N 15 125.674 0.300 . 1 . . . . 14 ALA N . 11273 1 41 . 1 1 15 15 LEU H H 1 8.013 0.030 . 1 . . . . 15 LEU H . 11273 1 42 . 1 1 15 15 LEU HA H 1 4.168 0.030 . 1 . . . . 15 LEU HA . 11273 1 43 . 1 1 15 15 LEU HB2 H 1 1.644 0.030 . 2 . . . . 15 LEU HB2 . 11273 1 44 . 1 1 15 15 LEU HB3 H 1 1.740 0.030 . 2 . . . . 15 LEU HB3 . 11273 1 45 . 1 1 15 15 LEU HD11 H 1 0.937 0.030 . 1 . . . . 15 LEU HD1 . 11273 1 46 . 1 1 15 15 LEU HD12 H 1 0.937 0.030 . 1 . . . . 15 LEU HD1 . 11273 1 47 . 1 1 15 15 LEU HD13 H 1 0.937 0.030 . 1 . . . . 15 LEU HD1 . 11273 1 48 . 1 1 15 15 LEU HD21 H 1 0.915 0.030 . 1 . . . . 15 LEU HD2 . 11273 1 49 . 1 1 15 15 LEU HD22 H 1 0.915 0.030 . 1 . . . . 15 LEU HD2 . 11273 1 50 . 1 1 15 15 LEU HD23 H 1 0.915 0.030 . 1 . . . . 15 LEU HD2 . 11273 1 51 . 1 1 15 15 LEU HG H 1 1.630 0.030 . 1 . . . . 15 LEU HG . 11273 1 52 . 1 1 15 15 LEU C C 13 178.025 0.300 . 1 . . . . 15 LEU C . 11273 1 53 . 1 1 15 15 LEU CA C 13 57.097 0.300 . 1 . . . . 15 LEU CA . 11273 1 54 . 1 1 15 15 LEU CB C 13 41.714 0.300 . 1 . . . . 15 LEU CB . 11273 1 55 . 1 1 15 15 LEU CD1 C 13 23.949 0.300 . 2 . . . . 15 LEU CD1 . 11273 1 56 . 1 1 15 15 LEU CD2 C 13 24.771 0.300 . 2 . . . . 15 LEU CD2 . 11273 1 57 . 1 1 15 15 LEU CG C 13 27.074 0.300 . 1 . . . . 15 LEU CG . 11273 1 58 . 1 1 15 15 LEU N N 15 120.442 0.300 . 1 . . . . 15 LEU N . 11273 1 59 . 1 1 16 16 LYS H H 1 8.139 0.030 . 1 . . . . 16 LYS H . 11273 1 60 . 1 1 16 16 LYS HA H 1 3.945 0.030 . 1 . . . . 16 LYS HA . 11273 1 61 . 1 1 16 16 LYS HB2 H 1 1.872 0.030 . 1 . . . . 16 LYS HB2 . 11273 1 62 . 1 1 16 16 LYS HB3 H 1 1.872 0.030 . 1 . . . . 16 LYS HB3 . 11273 1 63 . 1 1 16 16 LYS HD2 H 1 1.674 0.030 . 1 . . . . 16 LYS HD2 . 11273 1 64 . 1 1 16 16 LYS HD3 H 1 1.674 0.030 . 1 . . . . 16 LYS HD3 . 11273 1 65 . 1 1 16 16 LYS HE2 H 1 2.967 0.030 . 1 . . . . 16 LYS HE2 . 11273 1 66 . 1 1 16 16 LYS HE3 H 1 2.967 0.030 . 1 . . . . 16 LYS HE3 . 11273 1 67 . 1 1 16 16 LYS HG2 H 1 1.400 0.030 . 2 . . . . 16 LYS HG2 . 11273 1 68 . 1 1 16 16 LYS HG3 H 1 1.529 0.030 . 2 . . . . 16 LYS HG3 . 11273 1 69 . 1 1 16 16 LYS C C 13 179.163 0.300 . 1 . . . . 16 LYS C . 11273 1 70 . 1 1 16 16 LYS CA C 13 59.674 0.300 . 1 . . . . 16 LYS CA . 11273 1 71 . 1 1 16 16 LYS CB C 13 32.091 0.300 . 1 . . . . 16 LYS CB . 11273 1 72 . 1 1 16 16 LYS CD C 13 29.339 0.300 . 1 . . . . 16 LYS CD . 11273 1 73 . 1 1 16 16 LYS CE C 13 42.043 0.300 . 1 . . . . 16 LYS CE . 11273 1 74 . 1 1 16 16 LYS CG C 13 25.072 0.300 . 1 . . . . 16 LYS CG . 11273 1 75 . 1 1 16 16 LYS N N 15 119.325 0.300 . 1 . . . . 16 LYS N . 11273 1 76 . 1 1 17 17 GLY H H 1 8.155 0.030 . 1 . . . . 17 GLY H . 11273 1 77 . 1 1 17 17 GLY HA2 H 1 3.978 0.030 . 1 . . . . 17 GLY HA2 . 11273 1 78 . 1 1 17 17 GLY HA3 H 1 3.978 0.030 . 1 . . . . 17 GLY HA3 . 11273 1 79 . 1 1 17 17 GLY C C 13 176.328 0.300 . 1 . . . . 17 GLY C . 11273 1 80 . 1 1 17 17 GLY CA C 13 46.756 0.300 . 1 . . . . 17 GLY CA . 11273 1 81 . 1 1 17 17 GLY N N 15 106.684 0.300 . 1 . . . . 17 GLY N . 11273 1 82 . 1 1 18 18 LEU H H 1 7.802 0.030 . 1 . . . . 18 LEU H . 11273 1 83 . 1 1 18 18 LEU HA H 1 4.215 0.030 . 1 . . . . 18 LEU HA . 11273 1 84 . 1 1 18 18 LEU HB2 H 1 1.486 0.030 . 2 . . . . 18 LEU HB2 . 11273 1 85 . 1 1 18 18 LEU HB3 H 1 1.959 0.030 . 2 . . . . 18 LEU HB3 . 11273 1 86 . 1 1 18 18 LEU HD11 H 1 0.981 0.030 . 1 . . . . 18 LEU HD1 . 11273 1 87 . 1 1 18 18 LEU HD12 H 1 0.981 0.030 . 1 . . . . 18 LEU HD1 . 11273 1 88 . 1 1 18 18 LEU HD13 H 1 0.981 0.030 . 1 . . . . 18 LEU HD1 . 11273 1 89 . 1 1 18 18 LEU HD21 H 1 0.952 0.030 . 1 . . . . 18 LEU HD2 . 11273 1 90 . 1 1 18 18 LEU HD22 H 1 0.952 0.030 . 1 . . . . 18 LEU HD2 . 11273 1 91 . 1 1 18 18 LEU HD23 H 1 0.952 0.030 . 1 . . . . 18 LEU HD2 . 11273 1 92 . 1 1 18 18 LEU HG H 1 1.827 0.030 . 1 . . . . 18 LEU HG . 11273 1 93 . 1 1 18 18 LEU C C 13 179.163 0.300 . 1 . . . . 18 LEU C . 11273 1 94 . 1 1 18 18 LEU CA C 13 57.944 0.300 . 1 . . . . 18 LEU CA . 11273 1 95 . 1 1 18 18 LEU CB C 13 42.784 0.300 . 1 . . . . 18 LEU CB . 11273 1 96 . 1 1 18 18 LEU CD1 C 13 25.816 0.300 . 2 . . . . 18 LEU CD1 . 11273 1 97 . 1 1 18 18 LEU CD2 C 13 23.733 0.300 . 2 . . . . 18 LEU CD2 . 11273 1 98 . 1 1 18 18 LEU CG C 13 26.745 0.300 . 1 . . . . 18 LEU CG . 11273 1 99 . 1 1 18 18 LEU N N 15 123.181 0.300 . 1 . . . . 18 LEU N . 11273 1 100 . 1 1 19 19 ILE H H 1 8.501 0.030 . 1 . . . . 19 ILE H . 11273 1 101 . 1 1 19 19 ILE HA H 1 3.380 0.030 . 1 . . . . 19 ILE HA . 11273 1 102 . 1 1 19 19 ILE HB H 1 1.908 0.030 . 1 . . . . 19 ILE HB . 11273 1 103 . 1 1 19 19 ILE HD11 H 1 0.794 0.030 . 1 . . . . 19 ILE HD1 . 11273 1 104 . 1 1 19 19 ILE HD12 H 1 0.794 0.030 . 1 . . . . 19 ILE HD1 . 11273 1 105 . 1 1 19 19 ILE HD13 H 1 0.794 0.030 . 1 . . . . 19 ILE HD1 . 11273 1 106 . 1 1 19 19 ILE HG12 H 1 1.716 0.030 . 2 . . . . 19 ILE HG12 . 11273 1 107 . 1 1 19 19 ILE HG13 H 1 0.578 0.030 . 2 . . . . 19 ILE HG13 . 11273 1 108 . 1 1 19 19 ILE HG21 H 1 0.955 0.030 . 1 . . . . 19 ILE HG2 . 11273 1 109 . 1 1 19 19 ILE HG22 H 1 0.955 0.030 . 1 . . . . 19 ILE HG2 . 11273 1 110 . 1 1 19 19 ILE HG23 H 1 0.955 0.030 . 1 . . . . 19 ILE HG2 . 11273 1 111 . 1 1 19 19 ILE C C 13 177.855 0.300 . 1 . . . . 19 ILE C . 11273 1 112 . 1 1 19 19 ILE CA C 13 65.815 0.300 . 1 . . . . 19 ILE CA . 11273 1 113 . 1 1 19 19 ILE CB C 13 37.931 0.300 . 1 . . . . 19 ILE CB . 11273 1 114 . 1 1 19 19 ILE CD1 C 13 14.175 0.300 . 1 . . . . 19 ILE CD1 . 11273 1 115 . 1 1 19 19 ILE CG1 C 13 30.285 0.300 . 1 . . . . 19 ILE CG1 . 11273 1 116 . 1 1 19 19 ILE CG2 C 13 18.438 0.300 . 1 . . . . 19 ILE CG2 . 11273 1 117 . 1 1 19 19 ILE N N 15 120.203 0.300 . 1 . . . . 19 ILE N . 11273 1 118 . 1 1 20 20 GLN H H 1 7.882 0.030 . 1 . . . . 20 GLN H . 11273 1 119 . 1 1 20 20 GLN HA H 1 4.189 0.030 . 1 . . . . 20 GLN HA . 11273 1 120 . 1 1 20 20 GLN HB2 H 1 2.215 0.030 . 1 . . . . 20 GLN HB2 . 11273 1 121 . 1 1 20 20 GLN HB3 H 1 2.215 0.030 . 1 . . . . 20 GLN HB3 . 11273 1 122 . 1 1 20 20 GLN HE21 H 1 7.510 0.030 . 2 . . . . 20 GLN HE21 . 11273 1 123 . 1 1 20 20 GLN HE22 H 1 6.839 0.030 . 2 . . . . 20 GLN HE22 . 11273 1 124 . 1 1 20 20 GLN HG2 H 1 2.408 0.030 . 2 . . . . 20 GLN HG2 . 11273 1 125 . 1 1 20 20 GLN HG3 H 1 2.486 0.030 . 2 . . . . 20 GLN HG3 . 11273 1 126 . 1 1 20 20 GLN C C 13 179.309 0.300 . 1 . . . . 20 GLN C . 11273 1 127 . 1 1 20 20 GLN CA C 13 59.022 0.300 . 1 . . . . 20 GLN CA . 11273 1 128 . 1 1 20 20 GLN CB C 13 27.965 0.300 . 1 . . . . 20 GLN CB . 11273 1 129 . 1 1 20 20 GLN CG C 13 33.983 0.300 . 1 . . . . 20 GLN CG . 11273 1 130 . 1 1 20 20 GLN N N 15 118.950 0.300 . 1 . . . . 20 GLN N . 11273 1 131 . 1 1 20 20 GLN NE2 N 15 112.078 0.300 . 1 . . . . 20 GLN NE2 . 11273 1 132 . 1 1 21 21 GLN H H 1 8.069 0.030 . 1 . . . . 21 GLN H . 11273 1 133 . 1 1 21 21 GLN HA H 1 4.101 0.030 . 1 . . . . 21 GLN HA . 11273 1 134 . 1 1 21 21 GLN HB2 H 1 2.143 0.030 . 2 . . . . 21 GLN HB2 . 11273 1 135 . 1 1 21 21 GLN HB3 H 1 2.317 0.030 . 2 . . . . 21 GLN HB3 . 11273 1 136 . 1 1 21 21 GLN HE21 H 1 6.773 0.030 . 2 . . . . 21 GLN HE21 . 11273 1 137 . 1 1 21 21 GLN HE22 H 1 7.200 0.030 . 2 . . . . 21 GLN HE22 . 11273 1 138 . 1 1 21 21 GLN HG2 H 1 2.587 0.030 . 2 . . . . 21 GLN HG2 . 11273 1 139 . 1 1 21 21 GLN HG3 H 1 2.353 0.030 . 2 . . . . 21 GLN HG3 . 11273 1 140 . 1 1 21 21 GLN C C 13 177.758 0.300 . 1 . . . . 21 GLN C . 11273 1 141 . 1 1 21 21 GLN CA C 13 59.532 0.300 . 1 . . . . 21 GLN CA . 11273 1 142 . 1 1 21 21 GLN CB C 13 29.624 0.300 . 1 . . . . 21 GLN CB . 11273 1 143 . 1 1 21 21 GLN CG C 13 34.723 0.300 . 1 . . . . 21 GLN CG . 11273 1 144 . 1 1 21 21 GLN N N 15 120.289 0.300 . 1 . . . . 21 GLN N . 11273 1 145 . 1 1 21 21 GLN NE2 N 15 110.894 0.300 . 1 . . . . 21 GLN NE2 . 11273 1 146 . 1 1 22 22 PHE H H 1 8.736 0.030 . 1 . . . . 22 PHE H . 11273 1 147 . 1 1 22 22 PHE HA H 1 3.746 0.030 . 1 . . . . 22 PHE HA . 11273 1 148 . 1 1 22 22 PHE HB2 H 1 2.874 0.030 . 2 . . . . 22 PHE HB2 . 11273 1 149 . 1 1 22 22 PHE HB3 H 1 3.430 0.030 . 2 . . . . 22 PHE HB3 . 11273 1 150 . 1 1 22 22 PHE HD1 H 1 6.826 0.030 . 1 . . . . 22 PHE HD1 . 11273 1 151 . 1 1 22 22 PHE HD2 H 1 6.826 0.030 . 1 . . . . 22 PHE HD2 . 11273 1 152 . 1 1 22 22 PHE HE1 H 1 6.832 0.030 . 1 . . . . 22 PHE HE1 . 11273 1 153 . 1 1 22 22 PHE HE2 H 1 6.832 0.030 . 1 . . . . 22 PHE HE2 . 11273 1 154 . 1 1 22 22 PHE HZ H 1 6.826 0.030 . 1 . . . . 22 PHE HZ . 11273 1 155 . 1 1 22 22 PHE C C 13 179.575 0.300 . 1 . . . . 22 PHE C . 11273 1 156 . 1 1 22 22 PHE CA C 13 62.850 0.300 . 1 . . . . 22 PHE CA . 11273 1 157 . 1 1 22 22 PHE CB C 13 39.247 0.300 . 1 . . . . 22 PHE CB . 11273 1 158 . 1 1 22 22 PHE CD1 C 13 131.318 0.300 . 1 . . . . 22 PHE CD1 . 11273 1 159 . 1 1 22 22 PHE CD2 C 13 131.318 0.300 . 1 . . . . 22 PHE CD2 . 11273 1 160 . 1 1 22 22 PHE CE1 C 13 129.628 0.300 . 1 . . . . 22 PHE CE1 . 11273 1 161 . 1 1 22 22 PHE CE2 C 13 129.628 0.300 . 1 . . . . 22 PHE CE2 . 11273 1 162 . 1 1 22 22 PHE CZ C 13 131.361 0.300 . 1 . . . . 22 PHE CZ . 11273 1 163 . 1 1 22 22 PHE N N 15 119.729 0.300 . 1 . . . . 22 PHE N . 11273 1 164 . 1 1 23 23 THR H H 1 9.233 0.030 . 1 . . . . 23 THR H . 11273 1 165 . 1 1 23 23 THR HA H 1 3.770 0.030 . 1 . . . . 23 THR HA . 11273 1 166 . 1 1 23 23 THR HB H 1 4.353 0.030 . 1 . . . . 23 THR HB . 11273 1 167 . 1 1 23 23 THR HG21 H 1 1.269 0.030 . 1 . . . . 23 THR HG2 . 11273 1 168 . 1 1 23 23 THR HG22 H 1 1.269 0.030 . 1 . . . . 23 THR HG2 . 11273 1 169 . 1 1 23 23 THR HG23 H 1 1.269 0.030 . 1 . . . . 23 THR HG2 . 11273 1 170 . 1 1 23 23 THR C C 13 177.685 0.300 . 1 . . . . 23 THR C . 11273 1 171 . 1 1 23 23 THR CA C 13 66.132 0.300 . 1 . . . . 23 THR CA . 11273 1 172 . 1 1 23 23 THR CB C 13 68.741 0.300 . 1 . . . . 23 THR CB . 11273 1 173 . 1 1 23 23 THR CG2 C 13 22.007 0.300 . 1 . . . . 23 THR CG2 . 11273 1 174 . 1 1 23 23 THR N N 15 116.471 0.300 . 1 . . . . 23 THR N . 11273 1 175 . 1 1 24 24 THR H H 1 8.103 0.030 . 1 . . . . 24 THR H . 11273 1 176 . 1 1 24 24 THR HA H 1 3.926 0.030 . 1 . . . . 24 THR HA . 11273 1 177 . 1 1 24 24 THR HB H 1 4.357 0.030 . 1 . . . . 24 THR HB . 11273 1 178 . 1 1 24 24 THR HG21 H 1 1.215 0.030 . 1 . . . . 24 THR HG2 . 11273 1 179 . 1 1 24 24 THR HG22 H 1 1.215 0.030 . 1 . . . . 24 THR HG2 . 11273 1 180 . 1 1 24 24 THR HG23 H 1 1.215 0.030 . 1 . . . . 24 THR HG2 . 11273 1 181 . 1 1 24 24 THR C C 13 175.892 0.300 . 1 . . . . 24 THR C . 11273 1 182 . 1 1 24 24 THR CA C 13 66.996 0.300 . 1 . . . . 24 THR CA . 11273 1 183 . 1 1 24 24 THR CB C 13 68.838 0.300 . 1 . . . . 24 THR CB . 11273 1 184 . 1 1 24 24 THR CG2 C 13 21.403 0.300 . 1 . . . . 24 THR CG2 . 11273 1 185 . 1 1 24 24 THR N N 15 121.662 0.300 . 1 . . . . 24 THR N . 11273 1 186 . 1 1 25 25 ILE H H 1 7.860 0.030 . 1 . . . . 25 ILE H . 11273 1 187 . 1 1 25 25 ILE HA H 1 3.718 0.030 . 1 . . . . 25 ILE HA . 11273 1 188 . 1 1 25 25 ILE HB H 1 1.498 0.030 . 1 . . . . 25 ILE HB . 11273 1 189 . 1 1 25 25 ILE HD11 H 1 0.833 0.030 . 1 . . . . 25 ILE HD1 . 11273 1 190 . 1 1 25 25 ILE HD12 H 1 0.833 0.030 . 1 . . . . 25 ILE HD1 . 11273 1 191 . 1 1 25 25 ILE HD13 H 1 0.833 0.030 . 1 . . . . 25 ILE HD1 . 11273 1 192 . 1 1 25 25 ILE HG12 H 1 1.772 0.030 . 2 . . . . 25 ILE HG12 . 11273 1 193 . 1 1 25 25 ILE HG13 H 1 1.029 0.030 . 2 . . . . 25 ILE HG13 . 11273 1 194 . 1 1 25 25 ILE HG21 H 1 0.810 0.030 . 1 . . . . 25 ILE HG2 . 11273 1 195 . 1 1 25 25 ILE HG22 H 1 0.810 0.030 . 1 . . . . 25 ILE HG2 . 11273 1 196 . 1 1 25 25 ILE HG23 H 1 0.810 0.030 . 1 . . . . 25 ILE HG2 . 11273 1 197 . 1 1 25 25 ILE C C 13 177.903 0.300 . 1 . . . . 25 ILE C . 11273 1 198 . 1 1 25 25 ILE CA C 13 64.968 0.300 . 1 . . . . 25 ILE CA . 11273 1 199 . 1 1 25 25 ILE CB C 13 39.658 0.300 . 1 . . . . 25 ILE CB . 11273 1 200 . 1 1 25 25 ILE CD1 C 13 14.290 0.300 . 1 . . . . 25 ILE CD1 . 11273 1 201 . 1 1 25 25 ILE CG1 C 13 29.180 0.300 . 1 . . . . 25 ILE CG1 . 11273 1 202 . 1 1 25 25 ILE CG2 C 13 17.629 0.300 . 1 . . . . 25 ILE CG2 . 11273 1 203 . 1 1 25 25 ILE N N 15 119.823 0.300 . 1 . . . . 25 ILE N . 11273 1 204 . 1 1 26 26 THR H H 1 7.640 0.030 . 1 . . . . 26 THR H . 11273 1 205 . 1 1 26 26 THR HA H 1 4.069 0.030 . 1 . . . . 26 THR HA . 11273 1 206 . 1 1 26 26 THR HB H 1 3.434 0.030 . 1 . . . . 26 THR HB . 11273 1 207 . 1 1 26 26 THR HG21 H 1 0.369 0.030 . 1 . . . . 26 THR HG2 . 11273 1 208 . 1 1 26 26 THR HG22 H 1 0.369 0.030 . 1 . . . . 26 THR HG2 . 11273 1 209 . 1 1 26 26 THR HG23 H 1 0.369 0.030 . 1 . . . . 26 THR HG2 . 11273 1 210 . 1 1 26 26 THR C C 13 176.401 0.300 . 1 . . . . 26 THR C . 11273 1 211 . 1 1 26 26 THR CA C 13 63.027 0.300 . 1 . . . . 26 THR CA . 11273 1 212 . 1 1 26 26 THR CB C 13 71.241 0.300 . 1 . . . . 26 THR CB . 11273 1 213 . 1 1 26 26 THR CG2 C 13 20.841 0.300 . 1 . . . . 26 THR CG2 . 11273 1 214 . 1 1 26 26 THR N N 15 105.315 0.300 . 1 . . . . 26 THR N . 11273 1 215 . 1 1 27 27 GLY H H 1 8.252 0.030 . 1 . . . . 27 GLY H . 11273 1 216 . 1 1 27 27 GLY HA2 H 1 3.824 0.030 . 2 . . . . 27 GLY HA2 . 11273 1 217 . 1 1 27 27 GLY HA3 H 1 4.162 0.030 . 2 . . . . 27 GLY HA3 . 11273 1 218 . 1 1 27 27 GLY C C 13 173.493 0.300 . 1 . . . . 27 GLY C . 11273 1 219 . 1 1 27 27 GLY CA C 13 45.556 0.300 . 1 . . . . 27 GLY CA . 11273 1 220 . 1 1 27 27 GLY N N 15 112.214 0.300 . 1 . . . . 27 GLY N . 11273 1 221 . 1 1 28 28 ALA H H 1 7.628 0.030 . 1 . . . . 28 ALA H . 11273 1 222 . 1 1 28 28 ALA HA H 1 4.437 0.030 . 1 . . . . 28 ALA HA . 11273 1 223 . 1 1 28 28 ALA HB1 H 1 1.181 0.030 . 1 . . . . 28 ALA HB . 11273 1 224 . 1 1 28 28 ALA HB2 H 1 1.181 0.030 . 1 . . . . 28 ALA HB . 11273 1 225 . 1 1 28 28 ALA HB3 H 1 1.181 0.030 . 1 . . . . 28 ALA HB . 11273 1 226 . 1 1 28 28 ALA C C 13 176.013 0.300 . 1 . . . . 28 ALA C . 11273 1 227 . 1 1 28 28 ALA CA C 13 51.133 0.300 . 1 . . . . 28 ALA CA . 11273 1 228 . 1 1 28 28 ALA CB C 13 20.741 0.300 . 1 . . . . 28 ALA CB . 11273 1 229 . 1 1 28 28 ALA N N 15 122.340 0.300 . 1 . . . . 28 ALA N . 11273 1 230 . 1 1 29 29 SER H H 1 8.127 0.030 . 1 . . . . 29 SER H . 11273 1 231 . 1 1 29 29 SER HA H 1 4.432 0.030 . 1 . . . . 29 SER HA . 11273 1 232 . 1 1 29 29 SER HB2 H 1 4.369 0.030 . 2 . . . . 29 SER HB2 . 11273 1 233 . 1 1 29 29 SER HB3 H 1 4.053 0.030 . 2 . . . . 29 SER HB3 . 11273 1 234 . 1 1 29 29 SER C C 13 175.335 0.300 . 1 . . . . 29 SER C . 11273 1 235 . 1 1 29 29 SER CA C 13 57.428 0.300 . 1 . . . . 29 SER CA . 11273 1 236 . 1 1 29 29 SER CB C 13 65.407 0.300 . 1 . . . . 29 SER CB . 11273 1 237 . 1 1 29 29 SER N N 15 112.988 0.300 . 1 . . . . 29 SER N . 11273 1 238 . 1 1 30 30 GLU H H 1 9.009 0.030 . 1 . . . . 30 GLU H . 11273 1 239 . 1 1 30 30 GLU HA H 1 3.757 0.030 . 1 . . . . 30 GLU HA . 11273 1 240 . 1 1 30 30 GLU HB2 H 1 2.015 0.030 . 2 . . . . 30 GLU HB2 . 11273 1 241 . 1 1 30 30 GLU HB3 H 1 2.077 0.030 . 2 . . . . 30 GLU HB3 . 11273 1 242 . 1 1 30 30 GLU HG2 H 1 2.207 0.030 . 2 . . . . 30 GLU HG2 . 11273 1 243 . 1 1 30 30 GLU HG3 H 1 2.426 0.030 . 2 . . . . 30 GLU HG3 . 11273 1 244 . 1 1 30 30 GLU C C 13 178.388 0.300 . 1 . . . . 30 GLU C . 11273 1 245 . 1 1 30 30 GLU CA C 13 60.027 0.300 . 1 . . . . 30 GLU CA . 11273 1 246 . 1 1 30 30 GLU CB C 13 29.377 0.300 . 1 . . . . 30 GLU CB . 11273 1 247 . 1 1 30 30 GLU CG C 13 36.944 0.300 . 1 . . . . 30 GLU CG . 11273 1 248 . 1 1 30 30 GLU N N 15 120.388 0.300 . 1 . . . . 30 GLU N . 11273 1 249 . 1 1 31 31 SER H H 1 8.267 0.030 . 1 . . . . 31 SER H . 11273 1 250 . 1 1 31 31 SER HA H 1 4.098 0.030 . 1 . . . . 31 SER HA . 11273 1 251 . 1 1 31 31 SER HB2 H 1 3.878 0.030 . 1 . . . . 31 SER HB2 . 11273 1 252 . 1 1 31 31 SER HB3 H 1 3.878 0.030 . 1 . . . . 31 SER HB3 . 11273 1 253 . 1 1 31 31 SER C C 13 177.346 0.300 . 1 . . . . 31 SER C . 11273 1 254 . 1 1 31 31 SER CA C 13 61.593 0.300 . 1 . . . . 31 SER CA . 11273 1 255 . 1 1 31 31 SER CB C 13 62.332 0.300 . 1 . . . . 31 SER CB . 11273 1 256 . 1 1 31 31 SER N N 15 113.792 0.300 . 1 . . . . 31 SER N . 11273 1 257 . 1 1 32 32 VAL H H 1 7.395 0.030 . 1 . . . . 32 VAL H . 11273 1 258 . 1 1 32 32 VAL HA H 1 3.766 0.030 . 1 . . . . 32 VAL HA . 11273 1 259 . 1 1 32 32 VAL HB H 1 2.208 0.030 . 1 . . . . 32 VAL HB . 11273 1 260 . 1 1 32 32 VAL HG11 H 1 1.073 0.030 . 1 . . . . 32 VAL HG1 . 11273 1 261 . 1 1 32 32 VAL HG12 H 1 1.073 0.030 . 1 . . . . 32 VAL HG1 . 11273 1 262 . 1 1 32 32 VAL HG13 H 1 1.073 0.030 . 1 . . . . 32 VAL HG1 . 11273 1 263 . 1 1 32 32 VAL HG21 H 1 1.120 0.030 . 1 . . . . 32 VAL HG2 . 11273 1 264 . 1 1 32 32 VAL HG22 H 1 1.120 0.030 . 1 . . . . 32 VAL HG2 . 11273 1 265 . 1 1 32 32 VAL HG23 H 1 1.120 0.030 . 1 . . . . 32 VAL HG2 . 11273 1 266 . 1 1 32 32 VAL C C 13 178.097 0.300 . 1 . . . . 32 VAL C . 11273 1 267 . 1 1 32 32 VAL CA C 13 66.309 0.300 . 1 . . . . 32 VAL CA . 11273 1 268 . 1 1 32 32 VAL CB C 13 31.708 0.300 . 1 . . . . 32 VAL CB . 11273 1 269 . 1 1 32 32 VAL CG1 C 13 21.792 0.300 . 2 . . . . 32 VAL CG1 . 11273 1 270 . 1 1 32 32 VAL CG2 C 13 23.046 0.300 . 2 . . . . 32 VAL CG2 . 11273 1 271 . 1 1 32 32 VAL N N 15 124.747 0.300 . 1 . . . . 32 VAL N . 11273 1 272 . 1 1 33 33 GLY H H 1 8.282 0.030 . 1 . . . . 33 GLY H . 11273 1 273 . 1 1 33 33 GLY HA2 H 1 2.252 0.030 . 2 . . . . 33 GLY HA2 . 11273 1 274 . 1 1 33 33 GLY HA3 H 1 2.924 0.030 . 2 . . . . 33 GLY HA3 . 11273 1 275 . 1 1 33 33 GLY C C 13 174.123 0.300 . 1 . . . . 33 GLY C . 11273 1 276 . 1 1 33 33 GLY CA C 13 48.434 0.300 . 1 . . . . 33 GLY CA . 11273 1 277 . 1 1 33 33 GLY N N 15 106.285 0.300 . 1 . . . . 33 GLY N . 11273 1 278 . 1 1 34 34 LYS H H 1 8.462 0.030 . 1 . . . . 34 LYS H . 11273 1 279 . 1 1 34 34 LYS HA H 1 3.642 0.030 . 1 . . . . 34 LYS HA . 11273 1 280 . 1 1 34 34 LYS HB2 H 1 1.803 0.030 . 1 . . . . 34 LYS HB2 . 11273 1 281 . 1 1 34 34 LYS HB3 H 1 1.803 0.030 . 1 . . . . 34 LYS HB3 . 11273 1 282 . 1 1 34 34 LYS HD2 H 1 1.617 0.030 . 1 . . . . 34 LYS HD2 . 11273 1 283 . 1 1 34 34 LYS HD3 H 1 1.617 0.030 . 1 . . . . 34 LYS HD3 . 11273 1 284 . 1 1 34 34 LYS HE2 H 1 2.887 0.030 . 2 . . . . 34 LYS HE2 . 11273 1 285 . 1 1 34 34 LYS HE3 H 1 2.915 0.030 . 2 . . . . 34 LYS HE3 . 11273 1 286 . 1 1 34 34 LYS HG2 H 1 1.328 0.030 . 1 . . . . 34 LYS HG2 . 11273 1 287 . 1 1 34 34 LYS HG3 H 1 1.328 0.030 . 1 . . . . 34 LYS HG3 . 11273 1 288 . 1 1 34 34 LYS C C 13 178.049 0.300 . 1 . . . . 34 LYS C . 11273 1 289 . 1 1 34 34 LYS CA C 13 60.380 0.300 . 1 . . . . 34 LYS CA . 11273 1 290 . 1 1 34 34 LYS CB C 13 32.832 0.300 . 1 . . . . 34 LYS CB . 11273 1 291 . 1 1 34 34 LYS CD C 13 29.770 0.300 . 1 . . . . 34 LYS CD . 11273 1 292 . 1 1 34 34 LYS CE C 13 42.126 0.300 . 1 . . . . 34 LYS CE . 11273 1 293 . 1 1 34 34 LYS CG C 13 25.265 0.300 . 1 . . . . 34 LYS CG . 11273 1 294 . 1 1 34 34 LYS N N 15 120.621 0.300 . 1 . . . . 34 LYS N . 11273 1 295 . 1 1 35 35 HIS H H 1 7.425 0.030 . 1 . . . . 35 HIS H . 11273 1 296 . 1 1 35 35 HIS HA H 1 4.322 0.030 . 1 . . . . 35 HIS HA . 11273 1 297 . 1 1 35 35 HIS HB2 H 1 3.199 0.030 . 2 . . . . 35 HIS HB2 . 11273 1 298 . 1 1 35 35 HIS HB3 H 1 3.261 0.030 . 2 . . . . 35 HIS HB3 . 11273 1 299 . 1 1 35 35 HIS HD2 H 1 6.998 0.030 . 1 . . . . 35 HIS HD2 . 11273 1 300 . 1 1 35 35 HIS HE1 H 1 7.891 0.030 . 1 . . . . 35 HIS HE1 . 11273 1 301 . 1 1 35 35 HIS C C 13 178.170 0.300 . 1 . . . . 35 HIS C . 11273 1 302 . 1 1 35 35 HIS CA C 13 59.462 0.300 . 1 . . . . 35 HIS CA . 11273 1 303 . 1 1 35 35 HIS CB C 13 30.248 0.300 . 1 . . . . 35 HIS CB . 11273 1 304 . 1 1 35 35 HIS CD2 C 13 120.543 0.300 . 1 . . . . 35 HIS CD2 . 11273 1 305 . 1 1 35 35 HIS CE1 C 13 138.269 0.300 . 1 . . . . 35 HIS CE1 . 11273 1 306 . 1 1 35 35 HIS N N 15 116.699 0.300 . 1 . . . . 35 HIS N . 11273 1 307 . 1 1 36 36 MET H H 1 8.558 0.030 . 1 . . . . 36 MET H . 11273 1 308 . 1 1 36 36 MET HA H 1 4.161 0.030 . 1 . . . . 36 MET HA . 11273 1 309 . 1 1 36 36 MET HB2 H 1 1.673 0.030 . 2 . . . . 36 MET HB2 . 11273 1 310 . 1 1 36 36 MET HB3 H 1 1.838 0.030 . 2 . . . . 36 MET HB3 . 11273 1 311 . 1 1 36 36 MET HE1 H 1 2.246 0.030 . 1 . . . . 36 MET HE . 11273 1 312 . 1 1 36 36 MET HE2 H 1 2.246 0.030 . 1 . . . . 36 MET HE . 11273 1 313 . 1 1 36 36 MET HE3 H 1 2.246 0.030 . 1 . . . . 36 MET HE . 11273 1 314 . 1 1 36 36 MET HG2 H 1 2.713 0.030 . 2 . . . . 36 MET HG2 . 11273 1 315 . 1 1 36 36 MET HG3 H 1 2.843 0.030 . 2 . . . . 36 MET HG3 . 11273 1 316 . 1 1 36 36 MET C C 13 178.388 0.300 . 1 . . . . 36 MET C . 11273 1 317 . 1 1 36 36 MET CA C 13 58.191 0.300 . 1 . . . . 36 MET CA . 11273 1 318 . 1 1 36 36 MET CB C 13 31.704 0.300 . 1 . . . . 36 MET CB . 11273 1 319 . 1 1 36 36 MET CE C 13 18.233 0.300 . 1 . . . . 36 MET CE . 11273 1 320 . 1 1 36 36 MET CG C 13 33.945 0.300 . 1 . . . . 36 MET CG . 11273 1 321 . 1 1 36 36 MET N N 15 117.958 0.300 . 1 . . . . 36 MET N . 11273 1 322 . 1 1 37 37 LEU H H 1 8.338 0.030 . 1 . . . . 37 LEU H . 11273 1 323 . 1 1 37 37 LEU HA H 1 3.605 0.030 . 1 . . . . 37 LEU HA . 11273 1 324 . 1 1 37 37 LEU HB2 H 1 1.362 0.030 . 2 . . . . 37 LEU HB2 . 11273 1 325 . 1 1 37 37 LEU HB3 H 1 1.786 0.030 . 2 . . . . 37 LEU HB3 . 11273 1 326 . 1 1 37 37 LEU HD11 H 1 0.561 0.030 . 1 . . . . 37 LEU HD1 . 11273 1 327 . 1 1 37 37 LEU HD12 H 1 0.561 0.030 . 1 . . . . 37 LEU HD1 . 11273 1 328 . 1 1 37 37 LEU HD13 H 1 0.561 0.030 . 1 . . . . 37 LEU HD1 . 11273 1 329 . 1 1 37 37 LEU HD21 H 1 0.616 0.030 . 1 . . . . 37 LEU HD2 . 11273 1 330 . 1 1 37 37 LEU HD22 H 1 0.616 0.030 . 1 . . . . 37 LEU HD2 . 11273 1 331 . 1 1 37 37 LEU HD23 H 1 0.616 0.030 . 1 . . . . 37 LEU HD2 . 11273 1 332 . 1 1 37 37 LEU HG H 1 1.197 0.030 . 1 . . . . 37 LEU HG . 11273 1 333 . 1 1 37 37 LEU C C 13 179.939 0.300 . 1 . . . . 37 LEU C . 11273 1 334 . 1 1 37 37 LEU CA C 13 58.721 0.300 . 1 . . . . 37 LEU CA . 11273 1 335 . 1 1 37 37 LEU CB C 13 40.481 0.300 . 1 . . . . 37 LEU CB . 11273 1 336 . 1 1 37 37 LEU CD1 C 13 26.416 0.300 . 2 . . . . 37 LEU CD1 . 11273 1 337 . 1 1 37 37 LEU CD2 C 13 23.444 0.300 . 2 . . . . 37 LEU CD2 . 11273 1 338 . 1 1 37 37 LEU CG C 13 28.308 0.300 . 1 . . . . 37 LEU CG . 11273 1 339 . 1 1 37 37 LEU N N 15 118.859 0.300 . 1 . . . . 37 LEU N . 11273 1 340 . 1 1 38 38 GLU H H 1 8.003 0.030 . 1 . . . . 38 GLU H . 11273 1 341 . 1 1 38 38 GLU HA H 1 3.984 0.030 . 1 . . . . 38 GLU HA . 11273 1 342 . 1 1 38 38 GLU HB2 H 1 1.975 0.030 . 2 . . . . 38 GLU HB2 . 11273 1 343 . 1 1 38 38 GLU HB3 H 1 2.154 0.030 . 2 . . . . 38 GLU HB3 . 11273 1 344 . 1 1 38 38 GLU HG2 H 1 2.456 0.030 . 2 . . . . 38 GLU HG2 . 11273 1 345 . 1 1 38 38 GLU HG3 H 1 2.217 0.030 . 2 . . . . 38 GLU HG3 . 11273 1 346 . 1 1 38 38 GLU C C 13 180.157 0.300 . 1 . . . . 38 GLU C . 11273 1 347 . 1 1 38 38 GLU CA C 13 59.744 0.300 . 1 . . . . 38 GLU CA . 11273 1 348 . 1 1 38 38 GLU CB C 13 29.123 0.300 . 1 . . . . 38 GLU CB . 11273 1 349 . 1 1 38 38 GLU CG C 13 36.862 0.300 . 1 . . . . 38 GLU CG . 11273 1 350 . 1 1 38 38 GLU N N 15 119.918 0.300 . 1 . . . . 38 GLU N . 11273 1 351 . 1 1 39 39 ALA H H 1 7.928 0.030 . 1 . . . . 39 ALA H . 11273 1 352 . 1 1 39 39 ALA HA H 1 4.166 0.030 . 1 . . . . 39 ALA HA . 11273 1 353 . 1 1 39 39 ALA HB1 H 1 1.461 0.030 . 1 . . . . 39 ALA HB . 11273 1 354 . 1 1 39 39 ALA HB2 H 1 1.461 0.030 . 1 . . . . 39 ALA HB . 11273 1 355 . 1 1 39 39 ALA HB3 H 1 1.461 0.030 . 1 . . . . 39 ALA HB . 11273 1 356 . 1 1 39 39 ALA C C 13 178.921 0.300 . 1 . . . . 39 ALA C . 11273 1 357 . 1 1 39 39 ALA CA C 13 54.415 0.300 . 1 . . . . 39 ALA CA . 11273 1 358 . 1 1 39 39 ALA CB C 13 18.316 0.300 . 1 . . . . 39 ALA CB . 11273 1 359 . 1 1 39 39 ALA N N 15 121.669 0.300 . 1 . . . . 39 ALA N . 11273 1 360 . 1 1 40 40 CYS H H 1 7.349 0.030 . 1 . . . . 40 CYS H . 11273 1 361 . 1 1 40 40 CYS HA H 1 4.619 0.030 . 1 . . . . 40 CYS HA . 11273 1 362 . 1 1 40 40 CYS HB2 H 1 2.770 0.030 . 2 . . . . 40 CYS HB2 . 11273 1 363 . 1 1 40 40 CYS HB3 H 1 3.293 0.030 . 2 . . . . 40 CYS HB3 . 11273 1 364 . 1 1 40 40 CYS C C 13 174.874 0.300 . 1 . . . . 40 CYS C . 11273 1 365 . 1 1 40 40 CYS CA C 13 58.368 0.300 . 1 . . . . 40 CYS CA . 11273 1 366 . 1 1 40 40 CYS CB C 13 28.955 0.300 . 1 . . . . 40 CYS CB . 11273 1 367 . 1 1 40 40 CYS N N 15 112.897 0.300 . 1 . . . . 40 CYS N . 11273 1 368 . 1 1 41 41 ASN H H 1 7.914 0.030 . 1 . . . . 41 ASN H . 11273 1 369 . 1 1 41 41 ASN HA H 1 4.383 0.030 . 1 . . . . 41 ASN HA . 11273 1 370 . 1 1 41 41 ASN HB2 H 1 2.668 0.030 . 2 . . . . 41 ASN HB2 . 11273 1 371 . 1 1 41 41 ASN HB3 H 1 3.042 0.030 . 2 . . . . 41 ASN HB3 . 11273 1 372 . 1 1 41 41 ASN HD21 H 1 7.548 0.030 . 2 . . . . 41 ASN HD21 . 11273 1 373 . 1 1 41 41 ASN HD22 H 1 6.844 0.030 . 2 . . . . 41 ASN HD22 . 11273 1 374 . 1 1 41 41 ASN C C 13 174.462 0.300 . 1 . . . . 41 ASN C . 11273 1 375 . 1 1 41 41 ASN CA C 13 54.733 0.300 . 1 . . . . 41 ASN CA . 11273 1 376 . 1 1 41 41 ASN CB C 13 37.048 0.300 . 1 . . . . 41 ASN CB . 11273 1 377 . 1 1 41 41 ASN N N 15 118.517 0.300 . 1 . . . . 41 ASN N . 11273 1 378 . 1 1 41 41 ASN ND2 N 15 112.386 0.300 . 1 . . . . 41 ASN ND2 . 11273 1 379 . 1 1 42 42 ASN H H 1 9.062 0.030 . 1 . . . . 42 ASN H . 11273 1 380 . 1 1 42 42 ASN HA H 1 3.844 0.030 . 1 . . . . 42 ASN HA . 11273 1 381 . 1 1 42 42 ASN HB2 H 1 2.863 0.030 . 2 . . . . 42 ASN HB2 . 11273 1 382 . 1 1 42 42 ASN HB3 H 1 2.980 0.030 . 2 . . . . 42 ASN HB3 . 11273 1 383 . 1 1 42 42 ASN HD21 H 1 6.424 0.030 . 2 . . . . 42 ASN HD21 . 11273 1 384 . 1 1 42 42 ASN HD22 H 1 7.250 0.030 . 2 . . . . 42 ASN HD22 . 11273 1 385 . 1 1 42 42 ASN C C 13 172.475 0.300 . 1 . . . . 42 ASN C . 11273 1 386 . 1 1 42 42 ASN CA C 13 54.697 0.300 . 1 . . . . 42 ASN CA . 11273 1 387 . 1 1 42 42 ASN CB C 13 36.039 0.300 . 1 . . . . 42 ASN CB . 11273 1 388 . 1 1 42 42 ASN N N 15 109.279 0.300 . 1 . . . . 42 ASN N . 11273 1 389 . 1 1 42 42 ASN ND2 N 15 109.351 0.300 . 1 . . . . 42 ASN ND2 . 11273 1 390 . 1 1 43 43 ASN H H 1 7.279 0.030 . 1 . . . . 43 ASN H . 11273 1 391 . 1 1 43 43 ASN HA H 1 4.720 0.030 . 1 . . . . 43 ASN HA . 11273 1 392 . 1 1 43 43 ASN HB2 H 1 2.734 0.030 . 2 . . . . 43 ASN HB2 . 11273 1 393 . 1 1 43 43 ASN HB3 H 1 3.253 0.030 . 2 . . . . 43 ASN HB3 . 11273 1 394 . 1 1 43 43 ASN HD21 H 1 7.138 0.030 . 2 . . . . 43 ASN HD21 . 11273 1 395 . 1 1 43 43 ASN HD22 H 1 7.733 0.030 . 2 . . . . 43 ASN HD22 . 11273 1 396 . 1 1 43 43 ASN C C 13 174.584 0.300 . 1 . . . . 43 ASN C . 11273 1 397 . 1 1 43 43 ASN CA C 13 52.791 0.300 . 1 . . . . 43 ASN CA . 11273 1 398 . 1 1 43 43 ASN CB C 13 39.104 0.300 . 1 . . . . 43 ASN CB . 11273 1 399 . 1 1 43 43 ASN N N 15 117.293 0.300 . 1 . . . . 43 ASN N . 11273 1 400 . 1 1 43 43 ASN ND2 N 15 113.143 0.300 . 1 . . . . 43 ASN ND2 . 11273 1 401 . 1 1 44 44 LEU H H 1 8.522 0.030 . 1 . . . . 44 LEU H . 11273 1 402 . 1 1 44 44 LEU HA H 1 3.972 0.030 . 1 . . . . 44 LEU HA . 11273 1 403 . 1 1 44 44 LEU HB2 H 1 1.521 0.030 . 2 . . . . 44 LEU HB2 . 11273 1 404 . 1 1 44 44 LEU HB3 H 1 1.907 0.030 . 2 . . . . 44 LEU HB3 . 11273 1 405 . 1 1 44 44 LEU HD11 H 1 1.048 0.030 . 1 . . . . 44 LEU HD1 . 11273 1 406 . 1 1 44 44 LEU HD12 H 1 1.048 0.030 . 1 . . . . 44 LEU HD1 . 11273 1 407 . 1 1 44 44 LEU HD13 H 1 1.048 0.030 . 1 . . . . 44 LEU HD1 . 11273 1 408 . 1 1 44 44 LEU HD21 H 1 0.943 0.030 . 1 . . . . 44 LEU HD2 . 11273 1 409 . 1 1 44 44 LEU HD22 H 1 0.943 0.030 . 1 . . . . 44 LEU HD2 . 11273 1 410 . 1 1 44 44 LEU HD23 H 1 0.943 0.030 . 1 . . . . 44 LEU HD2 . 11273 1 411 . 1 1 44 44 LEU HG H 1 1.635 0.030 . 1 . . . . 44 LEU HG . 11273 1 412 . 1 1 44 44 LEU C C 13 177.079 0.300 . 1 . . . . 44 LEU C . 11273 1 413 . 1 1 44 44 LEU CA C 13 58.650 0.300 . 1 . . . . 44 LEU CA . 11273 1 414 . 1 1 44 44 LEU CB C 13 42.060 0.300 . 1 . . . . 44 LEU CB . 11273 1 415 . 1 1 44 44 LEU CD1 C 13 24.164 0.300 . 2 . . . . 44 LEU CD1 . 11273 1 416 . 1 1 44 44 LEU CD2 C 13 26.354 0.300 . 2 . . . . 44 LEU CD2 . 11273 1 417 . 1 1 44 44 LEU CG C 13 27.182 0.300 . 1 . . . . 44 LEU CG . 11273 1 418 . 1 1 44 44 LEU N N 15 128.144 0.300 . 1 . . . . 44 LEU N . 11273 1 419 . 1 1 45 45 GLU H H 1 8.449 0.030 . 1 . . . . 45 GLU H . 11273 1 420 . 1 1 45 45 GLU HA H 1 3.946 0.030 . 1 . . . . 45 GLU HA . 11273 1 421 . 1 1 45 45 GLU HB2 H 1 2.073 0.030 . 2 . . . . 45 GLU HB2 . 11273 1 422 . 1 1 45 45 GLU HB3 H 1 2.170 0.030 . 2 . . . . 45 GLU HB3 . 11273 1 423 . 1 1 45 45 GLU HG2 H 1 2.322 0.030 . 1 . . . . 45 GLU HG2 . 11273 1 424 . 1 1 45 45 GLU HG3 H 1 2.322 0.030 . 1 . . . . 45 GLU HG3 . 11273 1 425 . 1 1 45 45 GLU C C 13 179.939 0.300 . 1 . . . . 45 GLU C . 11273 1 426 . 1 1 45 45 GLU CA C 13 60.380 0.300 . 1 . . . . 45 GLU CA . 11273 1 427 . 1 1 45 45 GLU CB C 13 29.123 0.300 . 1 . . . . 45 GLU CB . 11273 1 428 . 1 1 45 45 GLU CG C 13 36.862 0.300 . 1 . . . . 45 GLU CG . 11273 1 429 . 1 1 45 45 GLU N N 15 117.932 0.300 . 1 . . . . 45 GLU N . 11273 1 430 . 1 1 46 46 MET H H 1 8.141 0.030 . 1 . . . . 46 MET H . 11273 1 431 . 1 1 46 46 MET HA H 1 4.155 0.030 . 1 . . . . 46 MET HA . 11273 1 432 . 1 1 46 46 MET HB2 H 1 2.103 0.030 . 1 . . . . 46 MET HB2 . 11273 1 433 . 1 1 46 46 MET HB3 H 1 2.103 0.030 . 1 . . . . 46 MET HB3 . 11273 1 434 . 1 1 46 46 MET HE1 H 1 2.150 0.030 . 1 . . . . 46 MET HE . 11273 1 435 . 1 1 46 46 MET HE2 H 1 2.150 0.030 . 1 . . . . 46 MET HE . 11273 1 436 . 1 1 46 46 MET HE3 H 1 2.150 0.030 . 1 . . . . 46 MET HE . 11273 1 437 . 1 1 46 46 MET HG2 H 1 2.626 0.030 . 2 . . . . 46 MET HG2 . 11273 1 438 . 1 1 46 46 MET HG3 H 1 2.678 0.030 . 2 . . . . 46 MET HG3 . 11273 1 439 . 1 1 46 46 MET C C 13 177.928 0.300 . 1 . . . . 46 MET C . 11273 1 440 . 1 1 46 46 MET CA C 13 58.509 0.300 . 1 . . . . 46 MET CA . 11273 1 441 . 1 1 46 46 MET CB C 13 32.996 0.300 . 1 . . . . 46 MET CB . 11273 1 442 . 1 1 46 46 MET CE C 13 17.274 0.300 . 1 . . . . 46 MET CE . 11273 1 443 . 1 1 46 46 MET CG C 13 32.573 0.300 . 1 . . . . 46 MET CG . 11273 1 444 . 1 1 46 46 MET N N 15 119.325 0.300 . 1 . . . . 46 MET N . 11273 1 445 . 1 1 47 47 ALA H H 1 8.418 0.030 . 1 . . . . 47 ALA H . 11273 1 446 . 1 1 47 47 ALA HA H 1 4.394 0.030 . 1 . . . . 47 ALA HA . 11273 1 447 . 1 1 47 47 ALA HB1 H 1 1.380 0.030 . 1 . . . . 47 ALA HB . 11273 1 448 . 1 1 47 47 ALA HB2 H 1 1.380 0.030 . 1 . . . . 47 ALA HB . 11273 1 449 . 1 1 47 47 ALA HB3 H 1 1.380 0.030 . 1 . . . . 47 ALA HB . 11273 1 450 . 1 1 47 47 ALA C C 13 179.624 0.300 . 1 . . . . 47 ALA C . 11273 1 451 . 1 1 47 47 ALA CA C 13 55.827 0.300 . 1 . . . . 47 ALA CA . 11273 1 452 . 1 1 47 47 ALA CB C 13 18.486 0.300 . 1 . . . . 47 ALA CB . 11273 1 453 . 1 1 47 47 ALA N N 15 123.749 0.300 . 1 . . . . 47 ALA N . 11273 1 454 . 1 1 48 48 VAL H H 1 8.818 0.030 . 1 . . . . 48 VAL H . 11273 1 455 . 1 1 48 48 VAL HA H 1 3.534 0.030 . 1 . . . . 48 VAL HA . 11273 1 456 . 1 1 48 48 VAL HB H 1 2.216 0.030 . 1 . . . . 48 VAL HB . 11273 1 457 . 1 1 48 48 VAL HG11 H 1 0.866 0.030 . 1 . . . . 48 VAL HG1 . 11273 1 458 . 1 1 48 48 VAL HG12 H 1 0.866 0.030 . 1 . . . . 48 VAL HG1 . 11273 1 459 . 1 1 48 48 VAL HG13 H 1 0.866 0.030 . 1 . . . . 48 VAL HG1 . 11273 1 460 . 1 1 48 48 VAL HG21 H 1 0.970 0.030 . 1 . . . . 48 VAL HG2 . 11273 1 461 . 1 1 48 48 VAL HG22 H 1 0.970 0.030 . 1 . . . . 48 VAL HG2 . 11273 1 462 . 1 1 48 48 VAL HG23 H 1 0.970 0.030 . 1 . . . . 48 VAL HG2 . 11273 1 463 . 1 1 48 48 VAL C C 13 177.782 0.300 . 1 . . . . 48 VAL C . 11273 1 464 . 1 1 48 48 VAL CA C 13 67.648 0.300 . 1 . . . . 48 VAL CA . 11273 1 465 . 1 1 48 48 VAL CB C 13 31.927 0.300 . 1 . . . . 48 VAL CB . 11273 1 466 . 1 1 48 48 VAL CG1 C 13 21.792 0.300 . 2 . . . . 48 VAL CG1 . 11273 1 467 . 1 1 48 48 VAL CG2 C 13 23.517 0.300 . 2 . . . . 48 VAL CG2 . 11273 1 468 . 1 1 48 48 VAL N N 15 119.267 0.300 . 1 . . . . 48 VAL N . 11273 1 469 . 1 1 49 49 THR H H 1 8.011 0.030 . 1 . . . . 49 THR H . 11273 1 470 . 1 1 49 49 THR HA H 1 3.875 0.030 . 1 . . . . 49 THR HA . 11273 1 471 . 1 1 49 49 THR HB H 1 4.301 0.030 . 1 . . . . 49 THR HB . 11273 1 472 . 1 1 49 49 THR HG21 H 1 1.272 0.030 . 1 . . . . 49 THR HG2 . 11273 1 473 . 1 1 49 49 THR HG22 H 1 1.272 0.030 . 1 . . . . 49 THR HG2 . 11273 1 474 . 1 1 49 49 THR HG23 H 1 1.272 0.030 . 1 . . . . 49 THR HG2 . 11273 1 475 . 1 1 49 49 THR C C 13 175.965 0.300 . 1 . . . . 49 THR C . 11273 1 476 . 1 1 49 49 THR CA C 13 67.262 0.300 . 1 . . . . 49 THR CA . 11273 1 477 . 1 1 49 49 THR CB C 13 68.778 0.300 . 1 . . . . 49 THR CB . 11273 1 478 . 1 1 49 49 THR CG2 C 13 21.792 0.300 . 1 . . . . 49 THR CG2 . 11273 1 479 . 1 1 49 49 THR N N 15 116.416 0.300 . 1 . . . . 49 THR N . 11273 1 480 . 1 1 50 50 MET H H 1 8.590 0.030 . 1 . . . . 50 MET H . 11273 1 481 . 1 1 50 50 MET HA H 1 4.117 0.030 . 1 . . . . 50 MET HA . 11273 1 482 . 1 1 50 50 MET HB2 H 1 2.149 0.030 . 2 . . . . 50 MET HB2 . 11273 1 483 . 1 1 50 50 MET HB3 H 1 2.253 0.030 . 2 . . . . 50 MET HB3 . 11273 1 484 . 1 1 50 50 MET HE1 H 1 2.064 0.030 . 1 . . . . 50 MET HE . 11273 1 485 . 1 1 50 50 MET HE2 H 1 2.064 0.030 . 1 . . . . 50 MET HE . 11273 1 486 . 1 1 50 50 MET HE3 H 1 2.064 0.030 . 1 . . . . 50 MET HE . 11273 1 487 . 1 1 50 50 MET HG2 H 1 2.523 0.030 . 2 . . . . 50 MET HG2 . 11273 1 488 . 1 1 50 50 MET HG3 H 1 2.607 0.030 . 2 . . . . 50 MET HG3 . 11273 1 489 . 1 1 50 50 MET C C 13 178.873 0.300 . 1 . . . . 50 MET C . 11273 1 490 . 1 1 50 50 MET CA C 13 59.215 0.300 . 1 . . . . 50 MET CA . 11273 1 491 . 1 1 50 50 MET CB C 13 32.832 0.300 . 1 . . . . 50 MET CB . 11273 1 492 . 1 1 50 50 MET CE C 13 17.824 0.300 . 1 . . . . 50 MET CE . 11273 1 493 . 1 1 50 50 MET CG C 13 32.697 0.300 . 1 . . . . 50 MET CG . 11273 1 494 . 1 1 50 50 MET N N 15 121.241 0.300 . 1 . . . . 50 MET N . 11273 1 495 . 1 1 51 51 PHE H H 1 8.443 0.030 . 1 . . . . 51 PHE H . 11273 1 496 . 1 1 51 51 PHE HA H 1 4.178 0.030 . 1 . . . . 51 PHE HA . 11273 1 497 . 1 1 51 51 PHE HB2 H 1 3.442 0.030 . 2 . . . . 51 PHE HB2 . 11273 1 498 . 1 1 51 51 PHE HB3 H 1 3.510 0.030 . 2 . . . . 51 PHE HB3 . 11273 1 499 . 1 1 51 51 PHE HD1 H 1 7.162 0.030 . 1 . . . . 51 PHE HD1 . 11273 1 500 . 1 1 51 51 PHE HD2 H 1 7.162 0.030 . 1 . . . . 51 PHE HD2 . 11273 1 501 . 1 1 51 51 PHE HE1 H 1 7.443 0.030 . 1 . . . . 51 PHE HE1 . 11273 1 502 . 1 1 51 51 PHE HE2 H 1 7.443 0.030 . 1 . . . . 51 PHE HE2 . 11273 1 503 . 1 1 51 51 PHE HZ H 1 7.393 0.030 . 1 . . . . 51 PHE HZ . 11273 1 504 . 1 1 51 51 PHE C C 13 178.025 0.300 . 1 . . . . 51 PHE C . 11273 1 505 . 1 1 51 51 PHE CA C 13 61.827 0.300 . 1 . . . . 51 PHE CA . 11273 1 506 . 1 1 51 51 PHE CB C 13 40.026 0.300 . 1 . . . . 51 PHE CB . 11273 1 507 . 1 1 51 51 PHE CD1 C 13 131.487 0.300 . 1 . . . . 51 PHE CD1 . 11273 1 508 . 1 1 51 51 PHE CD2 C 13 131.487 0.300 . 1 . . . . 51 PHE CD2 . 11273 1 509 . 1 1 51 51 PHE CE1 C 13 132.080 0.300 . 1 . . . . 51 PHE CE1 . 11273 1 510 . 1 1 51 51 PHE CE2 C 13 132.080 0.300 . 1 . . . . 51 PHE CE2 . 11273 1 511 . 1 1 51 51 PHE CZ C 13 130.641 0.300 . 1 . . . . 51 PHE CZ . 11273 1 512 . 1 1 51 51 PHE N N 15 121.075 0.300 . 1 . . . . 51 PHE N . 11273 1 513 . 1 1 52 52 LEU H H 1 8.658 0.030 . 1 . . . . 52 LEU H . 11273 1 514 . 1 1 52 52 LEU HA H 1 3.940 0.030 . 1 . . . . 52 LEU HA . 11273 1 515 . 1 1 52 52 LEU HB2 H 1 1.497 0.030 . 2 . . . . 52 LEU HB2 . 11273 1 516 . 1 1 52 52 LEU HB3 H 1 1.942 0.030 . 2 . . . . 52 LEU HB3 . 11273 1 517 . 1 1 52 52 LEU HD11 H 1 0.881 0.030 . 1 . . . . 52 LEU HD1 . 11273 1 518 . 1 1 52 52 LEU HD12 H 1 0.881 0.030 . 1 . . . . 52 LEU HD1 . 11273 1 519 . 1 1 52 52 LEU HD13 H 1 0.881 0.030 . 1 . . . . 52 LEU HD1 . 11273 1 520 . 1 1 52 52 LEU HD21 H 1 0.966 0.030 . 1 . . . . 52 LEU HD2 . 11273 1 521 . 1 1 52 52 LEU HD22 H 1 0.966 0.030 . 1 . . . . 52 LEU HD2 . 11273 1 522 . 1 1 52 52 LEU HD23 H 1 0.966 0.030 . 1 . . . . 52 LEU HD2 . 11273 1 523 . 1 1 52 52 LEU HG H 1 2.017 0.030 . 1 . . . . 52 LEU HG . 11273 1 524 . 1 1 52 52 LEU C C 13 179.188 0.300 . 1 . . . . 52 LEU C . 11273 1 525 . 1 1 52 52 LEU CA C 13 57.132 0.300 . 1 . . . . 52 LEU CA . 11273 1 526 . 1 1 52 52 LEU CB C 13 41.550 0.300 . 1 . . . . 52 LEU CB . 11273 1 527 . 1 1 52 52 LEU CD1 C 13 25.923 0.300 . 2 . . . . 52 LEU CD1 . 11273 1 528 . 1 1 52 52 LEU CD2 C 13 22.304 0.300 . 2 . . . . 52 LEU CD2 . 11273 1 529 . 1 1 52 52 LEU CG C 13 26.967 0.300 . 1 . . . . 52 LEU CG . 11273 1 530 . 1 1 52 52 LEU N N 15 120.268 0.300 . 1 . . . . 52 LEU N . 11273 1 531 . 1 1 53 53 ASP H H 1 8.382 0.030 . 1 . . . . 53 ASP H . 11273 1 532 . 1 1 53 53 ASP HA H 1 4.574 0.030 . 1 . . . . 53 ASP HA . 11273 1 533 . 1 1 53 53 ASP HB2 H 1 2.720 0.030 . 1 . . . . 53 ASP HB2 . 11273 1 534 . 1 1 53 53 ASP HB3 H 1 2.720 0.030 . 1 . . . . 53 ASP HB3 . 11273 1 535 . 1 1 53 53 ASP C C 13 177.685 0.300 . 1 . . . . 53 ASP C . 11273 1 536 . 1 1 53 53 ASP CA C 13 55.615 0.300 . 1 . . . . 53 ASP CA . 11273 1 537 . 1 1 53 53 ASP CB C 13 40.924 0.300 . 1 . . . . 53 ASP CB . 11273 1 538 . 1 1 53 53 ASP N N 15 119.605 0.300 . 1 . . . . 53 ASP N . 11273 1 539 . 1 1 54 54 GLY H H 1 7.727 0.030 . 1 . . . . 54 GLY H . 11273 1 540 . 1 1 54 54 GLY HA2 H 1 3.873 0.030 . 2 . . . . 54 GLY HA2 . 11273 1 541 . 1 1 54 54 GLY HA3 H 1 3.975 0.030 . 2 . . . . 54 GLY HA3 . 11273 1 542 . 1 1 54 54 GLY C C 13 175.286 0.300 . 1 . . . . 54 GLY C . 11273 1 543 . 1 1 54 54 GLY CA C 13 45.726 0.300 . 1 . . . . 54 GLY CA . 11273 1 544 . 1 1 54 54 GLY N N 15 106.987 0.300 . 1 . . . . 54 GLY N . 11273 1 545 . 1 1 55 55 GLY H H 1 8.111 0.030 . 1 . . . . 55 GLY H . 11273 1 546 . 1 1 55 55 GLY HA2 H 1 3.904 0.030 . 1 . . . . 55 GLY HA2 . 11273 1 547 . 1 1 55 55 GLY HA3 H 1 3.904 0.030 . 1 . . . . 55 GLY HA3 . 11273 1 548 . 1 1 55 55 GLY C C 13 174.826 0.300 . 1 . . . . 55 GLY C . 11273 1 549 . 1 1 55 55 GLY CA C 13 45.380 0.300 . 1 . . . . 55 GLY CA . 11273 1 550 . 1 1 55 55 GLY N N 15 108.332 0.300 . 1 . . . . 55 GLY N . 11273 1 551 . 1 1 56 56 GLY H H 1 8.198 0.030 . 1 . . . . 56 GLY H . 11273 1 552 . 1 1 56 56 GLY HA2 H 1 3.775 0.030 . 1 . . . . 56 GLY HA2 . 11273 1 553 . 1 1 56 56 GLY HA3 H 1 3.775 0.030 . 1 . . . . 56 GLY HA3 . 11273 1 554 . 1 1 56 56 GLY C C 13 174.099 0.300 . 1 . . . . 56 GLY C . 11273 1 555 . 1 1 56 56 GLY CA C 13 45.415 0.300 . 1 . . . . 56 GLY CA . 11273 1 556 . 1 1 56 56 GLY N N 15 108.446 0.300 . 1 . . . . 56 GLY N . 11273 1 557 . 1 1 57 57 SER H H 1 8.219 0.030 . 1 . . . . 57 SER H . 11273 1 558 . 1 1 57 57 SER HA H 1 4.500 0.030 . 1 . . . . 57 SER HA . 11273 1 559 . 1 1 57 57 SER HB2 H 1 3.830 0.030 . 1 . . . . 57 SER HB2 . 11273 1 560 . 1 1 57 57 SER HB3 H 1 3.830 0.030 . 1 . . . . 57 SER HB3 . 11273 1 561 . 1 1 57 57 SER C C 13 174.584 0.300 . 1 . . . . 57 SER C . 11273 1 562 . 1 1 57 57 SER CA C 13 58.459 0.300 . 1 . . . . 57 SER CA . 11273 1 563 . 1 1 57 57 SER CB C 13 64.003 0.300 . 1 . . . . 57 SER CB . 11273 1 564 . 1 1 57 57 SER N N 15 115.633 0.300 . 1 . . . . 57 SER N . 11273 1 565 . 1 1 58 58 GLY H H 1 8.281 0.030 . 1 . . . . 58 GLY H . 11273 1 566 . 1 1 58 58 GLY HA2 H 1 4.105 0.030 . 1 . . . . 58 GLY HA2 . 11273 1 567 . 1 1 58 58 GLY HA3 H 1 4.105 0.030 . 1 . . . . 58 GLY HA3 . 11273 1 568 . 1 1 58 58 GLY C C 13 171.821 0.300 . 1 . . . . 58 GLY C . 11273 1 569 . 1 1 58 58 GLY CA C 13 44.674 0.300 . 1 . . . . 58 GLY CA . 11273 1 570 . 1 1 58 58 GLY N N 15 110.513 0.300 . 1 . . . . 58 GLY N . 11273 1 571 . 1 1 59 59 PRO HA H 1 4.467 0.030 . 1 . . . . 59 PRO HA . 11273 1 572 . 1 1 59 59 PRO HB2 H 1 1.969 0.030 . 2 . . . . 59 PRO HB2 . 11273 1 573 . 1 1 59 59 PRO HB3 H 1 2.277 0.030 . 2 . . . . 59 PRO HB3 . 11273 1 574 . 1 1 59 59 PRO HD2 H 1 3.610 0.030 . 1 . . . . 59 PRO HD2 . 11273 1 575 . 1 1 59 59 PRO HD3 H 1 3.610 0.030 . 1 . . . . 59 PRO HD3 . 11273 1 576 . 1 1 59 59 PRO HG2 H 1 2.006 0.030 . 1 . . . . 59 PRO HG2 . 11273 1 577 . 1 1 59 59 PRO HG3 H 1 2.006 0.030 . 1 . . . . 59 PRO HG3 . 11273 1 578 . 1 1 59 59 PRO C C 13 177.394 0.300 . 1 . . . . 59 PRO C . 11273 1 579 . 1 1 59 59 PRO CA C 13 63.274 0.300 . 1 . . . . 59 PRO CA . 11273 1 580 . 1 1 59 59 PRO CB C 13 32.174 0.300 . 1 . . . . 59 PRO CB . 11273 1 581 . 1 1 59 59 PRO CD C 13 49.822 0.300 . 1 . . . . 59 PRO CD . 11273 1 582 . 1 1 59 59 PRO CG C 13 27.223 0.300 . 1 . . . . 59 PRO CG . 11273 1 583 . 1 1 60 60 SER H H 1 8.518 0.030 . 1 . . . . 60 SER H . 11273 1 584 . 1 1 60 60 SER HA H 1 4.551 0.030 . 1 . . . . 60 SER HA . 11273 1 585 . 1 1 60 60 SER HB2 H 1 3.889 0.030 . 2 . . . . 60 SER HB2 . 11273 1 586 . 1 1 60 60 SER C C 13 174.656 0.300 . 1 . . . . 60 SER C . 11273 1 587 . 1 1 60 60 SER CA C 13 58.283 0.300 . 1 . . . . 60 SER CA . 11273 1 588 . 1 1 60 60 SER CB C 13 64.003 0.300 . 1 . . . . 60 SER CB . 11273 1 589 . 1 1 60 60 SER N N 15 116.436 0.300 . 1 . . . . 60 SER N . 11273 1 590 . 1 1 61 61 SER HA H 1 4.456 0.030 . 1 . . . . 61 SER HA . 11273 1 591 . 1 1 61 61 SER HB2 H 1 3.874 0.030 . 1 . . . . 61 SER HB2 . 11273 1 592 . 1 1 61 61 SER HB3 H 1 3.874 0.030 . 1 . . . . 61 SER HB3 . 11273 1 593 . 1 1 61 61 SER C C 13 173.953 0.300 . 1 . . . . 61 SER C . 11273 1 594 . 1 1 61 61 SER CA C 13 58.486 0.300 . 1 . . . . 61 SER CA . 11273 1 595 . 1 1 61 61 SER CB C 13 64.003 0.300 . 1 . . . . 61 SER CB . 11273 1 596 . 1 1 62 62 GLY H H 1 8.043 0.030 . 1 . . . . 62 GLY H . 11273 1 597 . 1 1 62 62 GLY C C 13 178.994 0.300 . 1 . . . . 62 GLY C . 11273 1 598 . 1 1 62 62 GLY CA C 13 46.227 0.300 . 1 . . . . 62 GLY CA . 11273 1 599 . 1 1 62 62 GLY N N 15 116.862 0.300 . 1 . . . . 62 GLY N . 11273 1 stop_ save_