data_11290 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11290 _Entry.Title ; Solution structure of the fibronectin type-III domain of human fibronectin type III domain containing protein 3 ; _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 M. Yoneyama . . . 11290 2 N. Tochio . . . 11290 3 S. Koshiba . . . 11290 4 M. Inoue . . . 11290 5 T. Kigawa . . . 11290 6 S. Yokoyama . . . 11290 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)' . 11290 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11290 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 437 11290 '15N chemical shifts' 93 11290 '1H chemical shifts' 668 11290 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 . 11290 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5X 'BMRB Entry Tracking System' 11290 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11290 _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 fibronectin type-III domain of human fibronectin type III domain containing protein 3 ; _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 M. Yoneyama . . . 11290 1 2 N. Tochio . . . 11290 1 3 S. Koshiba . . . 11290 1 4 M. Inoue . . . 11290 1 5 T. Kigawa . . . 11290 1 6 S. Yokoyama . . . 11290 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11290 _Assembly.ID 1 _Assembly.Name 'Fibronectin type-III domain containing protein 3a' _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 'Fibronectin type-III domain' 1 $entity_1 A . yes native no no . . . 11290 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 1x5x . . . . . . 11290 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11290 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fibronectin type-III 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 ; GSSGSSGPSMPASPVLTKAG ITWLSLQWSKPSGTPSDEGI SYILEMEEETSGYGFKPKYD GEDLAYTVKNLRRSTKYKFK VIAYNSEGKSNPSEVVEFTT CPDSGPSSG ; _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 109 _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 2014-05-12 loop_ _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 no PDB 1X5X . "Solution Structure Of The Fibronectin Type-Iii Domain Of Human Fibronectin Type Iii Domain Containing Protein 3" . . . . . 100.00 109 100.00 100.00 1.71e-70 . . . . 11290 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fibronectin type-III domain' . 11290 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 . 11290 1 2 . SER . 11290 1 3 . SER . 11290 1 4 . GLY . 11290 1 5 . SER . 11290 1 6 . SER . 11290 1 7 . GLY . 11290 1 8 . PRO . 11290 1 9 . SER . 11290 1 10 . MET . 11290 1 11 . PRO . 11290 1 12 . ALA . 11290 1 13 . SER . 11290 1 14 . PRO . 11290 1 15 . VAL . 11290 1 16 . LEU . 11290 1 17 . THR . 11290 1 18 . LYS . 11290 1 19 . ALA . 11290 1 20 . GLY . 11290 1 21 . ILE . 11290 1 22 . THR . 11290 1 23 . TRP . 11290 1 24 . LEU . 11290 1 25 . SER . 11290 1 26 . LEU . 11290 1 27 . GLN . 11290 1 28 . TRP . 11290 1 29 . SER . 11290 1 30 . LYS . 11290 1 31 . PRO . 11290 1 32 . SER . 11290 1 33 . GLY . 11290 1 34 . THR . 11290 1 35 . PRO . 11290 1 36 . SER . 11290 1 37 . ASP . 11290 1 38 . GLU . 11290 1 39 . GLY . 11290 1 40 . ILE . 11290 1 41 . SER . 11290 1 42 . TYR . 11290 1 43 . ILE . 11290 1 44 . LEU . 11290 1 45 . GLU . 11290 1 46 . MET . 11290 1 47 . GLU . 11290 1 48 . GLU . 11290 1 49 . GLU . 11290 1 50 . THR . 11290 1 51 . SER . 11290 1 52 . GLY . 11290 1 53 . TYR . 11290 1 54 . GLY . 11290 1 55 . PHE . 11290 1 56 . LYS . 11290 1 57 . PRO . 11290 1 58 . LYS . 11290 1 59 . TYR . 11290 1 60 . ASP . 11290 1 61 . GLY . 11290 1 62 . GLU . 11290 1 63 . ASP . 11290 1 64 . LEU . 11290 1 65 . ALA . 11290 1 66 . TYR . 11290 1 67 . THR . 11290 1 68 . VAL . 11290 1 69 . LYS . 11290 1 70 . ASN . 11290 1 71 . LEU . 11290 1 72 . ARG . 11290 1 73 . ARG . 11290 1 74 . SER . 11290 1 75 . THR . 11290 1 76 . LYS . 11290 1 77 . TYR . 11290 1 78 . LYS . 11290 1 79 . PHE . 11290 1 80 . LYS . 11290 1 81 . VAL . 11290 1 82 . ILE . 11290 1 83 . ALA . 11290 1 84 . TYR . 11290 1 85 . ASN . 11290 1 86 . SER . 11290 1 87 . GLU . 11290 1 88 . GLY . 11290 1 89 . LYS . 11290 1 90 . SER . 11290 1 91 . ASN . 11290 1 92 . PRO . 11290 1 93 . SER . 11290 1 94 . GLU . 11290 1 95 . VAL . 11290 1 96 . VAL . 11290 1 97 . GLU . 11290 1 98 . PHE . 11290 1 99 . THR . 11290 1 100 . THR . 11290 1 101 . CYS . 11290 1 102 . PRO . 11290 1 103 . ASP . 11290 1 104 . SER . 11290 1 105 . GLY . 11290 1 106 . PRO . 11290 1 107 . SER . 11290 1 108 . SER . 11290 1 109 . GLY . 11290 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 11290 1 . SER 2 2 11290 1 . SER 3 3 11290 1 . GLY 4 4 11290 1 . SER 5 5 11290 1 . SER 6 6 11290 1 . GLY 7 7 11290 1 . PRO 8 8 11290 1 . SER 9 9 11290 1 . MET 10 10 11290 1 . PRO 11 11 11290 1 . ALA 12 12 11290 1 . SER 13 13 11290 1 . PRO 14 14 11290 1 . VAL 15 15 11290 1 . LEU 16 16 11290 1 . THR 17 17 11290 1 . LYS 18 18 11290 1 . ALA 19 19 11290 1 . GLY 20 20 11290 1 . ILE 21 21 11290 1 . THR 22 22 11290 1 . TRP 23 23 11290 1 . LEU 24 24 11290 1 . SER 25 25 11290 1 . LEU 26 26 11290 1 . GLN 27 27 11290 1 . TRP 28 28 11290 1 . SER 29 29 11290 1 . LYS 30 30 11290 1 . PRO 31 31 11290 1 . SER 32 32 11290 1 . GLY 33 33 11290 1 . THR 34 34 11290 1 . PRO 35 35 11290 1 . SER 36 36 11290 1 . ASP 37 37 11290 1 . GLU 38 38 11290 1 . GLY 39 39 11290 1 . ILE 40 40 11290 1 . SER 41 41 11290 1 . TYR 42 42 11290 1 . ILE 43 43 11290 1 . LEU 44 44 11290 1 . GLU 45 45 11290 1 . MET 46 46 11290 1 . GLU 47 47 11290 1 . GLU 48 48 11290 1 . GLU 49 49 11290 1 . THR 50 50 11290 1 . SER 51 51 11290 1 . GLY 52 52 11290 1 . TYR 53 53 11290 1 . GLY 54 54 11290 1 . PHE 55 55 11290 1 . LYS 56 56 11290 1 . PRO 57 57 11290 1 . LYS 58 58 11290 1 . TYR 59 59 11290 1 . ASP 60 60 11290 1 . GLY 61 61 11290 1 . GLU 62 62 11290 1 . ASP 63 63 11290 1 . LEU 64 64 11290 1 . ALA 65 65 11290 1 . TYR 66 66 11290 1 . THR 67 67 11290 1 . VAL 68 68 11290 1 . LYS 69 69 11290 1 . ASN 70 70 11290 1 . LEU 71 71 11290 1 . ARG 72 72 11290 1 . ARG 73 73 11290 1 . SER 74 74 11290 1 . THR 75 75 11290 1 . LYS 76 76 11290 1 . TYR 77 77 11290 1 . LYS 78 78 11290 1 . PHE 79 79 11290 1 . LYS 80 80 11290 1 . VAL 81 81 11290 1 . ILE 82 82 11290 1 . ALA 83 83 11290 1 . TYR 84 84 11290 1 . ASN 85 85 11290 1 . SER 86 86 11290 1 . GLU 87 87 11290 1 . GLY 88 88 11290 1 . LYS 89 89 11290 1 . SER 90 90 11290 1 . ASN 91 91 11290 1 . PRO 92 92 11290 1 . SER 93 93 11290 1 . GLU 94 94 11290 1 . VAL 95 95 11290 1 . VAL 96 96 11290 1 . GLU 97 97 11290 1 . PHE 98 98 11290 1 . THR 99 99 11290 1 . THR 100 100 11290 1 . CYS 101 101 11290 1 . PRO 102 102 11290 1 . ASP 103 103 11290 1 . SER 104 104 11290 1 . GLY 105 105 11290 1 . PRO 106 106 11290 1 . SER 107 107 11290 1 . SER 108 108 11290 1 . GLY 109 109 11290 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 11290 _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 . . . . . . . . . . . . . . . . . . . . . 11290 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 11290 _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 . . . . . . . . . . . . . . . . P040802-05 . . . . . . 11290 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11290 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.06mM fn3 domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 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 'fn3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.06 . . mM . . . . 11290 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11290 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11290 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11290 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11290 1 6 H2O . . . . . . solvent 90 . . % . . . . 11290 1 7 D2O . . . . . . solvent 10 . . % . . . . 11290 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 11290 _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 11290 1 pH 7.0 0.05 pH 11290 1 pressure 1 0.001 atm 11290 1 temperature 296 0.1 K 11290 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11290 _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 . . 11290 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11290 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11290 _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.' . . 11290 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11290 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11290 _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.' . . 11290 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11290 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11290 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11290 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11290 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11290 _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.' . . 11290 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11290 5 'structure solution' 11290 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 11290 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11290 _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 . 800 . . . 11290 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 11290 _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 . . . . . . . . . . . . . . . . 11290 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11290 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 11290 _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 . . . . . . . . . 11290 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11290 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11290 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 11290 _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 11290 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11290 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 . . 11290 1 2 $NMRPipe . . 11290 1 3 $NMRview . . 11290 1 4 $Kujira . . 11290 1 5 $CYANA . . 11290 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY H H 1 8.196 0.030 . 1 . . . . 7 GLY H . 11290 1 2 . 1 1 7 7 GLY HA2 H 1 3.997 0.030 . 2 . . . . 7 GLY HA2 . 11290 1 3 . 1 1 7 7 GLY HA3 H 1 3.651 0.030 . 2 . . . . 7 GLY HA3 . 11290 1 4 . 1 1 7 7 GLY CA C 13 43.954 0.300 . 1 . . . . 7 GLY CA . 11290 1 5 . 1 1 7 7 GLY N N 15 109.130 0.300 . 1 . . . . 7 GLY N . 11290 1 6 . 1 1 8 8 PRO HA H 1 4.478 0.030 . 1 . . . . 8 PRO HA . 11290 1 7 . 1 1 8 8 PRO HB2 H 1 2.249 0.030 . 2 . . . . 8 PRO HB2 . 11290 1 8 . 1 1 8 8 PRO HB3 H 1 1.837 0.030 . 2 . . . . 8 PRO HB3 . 11290 1 9 . 1 1 8 8 PRO HD2 H 1 3.531 0.030 . 2 . . . . 8 PRO HD2 . 11290 1 10 . 1 1 8 8 PRO HD3 H 1 3.181 0.030 . 2 . . . . 8 PRO HD3 . 11290 1 11 . 1 1 8 8 PRO HG2 H 1 1.666 0.030 . 2 . . . . 8 PRO HG2 . 11290 1 12 . 1 1 8 8 PRO HG3 H 1 1.564 0.030 . 2 . . . . 8 PRO HG3 . 11290 1 13 . 1 1 8 8 PRO C C 13 175.295 0.300 . 1 . . . . 8 PRO C . 11290 1 14 . 1 1 8 8 PRO CA C 13 62.162 0.300 . 1 . . . . 8 PRO CA . 11290 1 15 . 1 1 8 8 PRO CB C 13 32.325 0.300 . 1 . . . . 8 PRO CB . 11290 1 16 . 1 1 8 8 PRO CD C 13 49.603 0.300 . 1 . . . . 8 PRO CD . 11290 1 17 . 1 1 8 8 PRO CG C 13 27.331 0.300 . 1 . . . . 8 PRO CG . 11290 1 18 . 1 1 9 9 SER H H 1 8.239 0.030 . 1 . . . . 9 SER H . 11290 1 19 . 1 1 9 9 SER HA H 1 4.286 0.030 . 1 . . . . 9 SER HA . 11290 1 20 . 1 1 9 9 SER HB2 H 1 3.954 0.030 . 2 . . . . 9 SER HB2 . 11290 1 21 . 1 1 9 9 SER HB3 H 1 3.885 0.030 . 2 . . . . 9 SER HB3 . 11290 1 22 . 1 1 9 9 SER C C 13 171.536 0.300 . 1 . . . . 9 SER C . 11290 1 23 . 1 1 9 9 SER CA C 13 58.335 0.300 . 1 . . . . 9 SER CA . 11290 1 24 . 1 1 9 9 SER CB C 13 64.028 0.300 . 1 . . . . 9 SER CB . 11290 1 25 . 1 1 9 9 SER N N 15 115.428 0.300 . 1 . . . . 9 SER N . 11290 1 26 . 1 1 10 10 MET H H 1 7.914 0.030 . 1 . . . . 10 MET H . 11290 1 27 . 1 1 10 10 MET HA H 1 4.515 0.030 . 1 . . . . 10 MET HA . 11290 1 28 . 1 1 10 10 MET HB2 H 1 2.007 0.030 . 1 . . . . 10 MET HB2 . 11290 1 29 . 1 1 10 10 MET HB3 H 1 2.007 0.030 . 1 . . . . 10 MET HB3 . 11290 1 30 . 1 1 10 10 MET HE1 H 1 2.194 0.030 . 1 . . . . 10 MET HE . 11290 1 31 . 1 1 10 10 MET HE2 H 1 2.194 0.030 . 1 . . . . 10 MET HE . 11290 1 32 . 1 1 10 10 MET HE3 H 1 2.194 0.030 . 1 . . . . 10 MET HE . 11290 1 33 . 1 1 10 10 MET HG2 H 1 2.531 0.030 . 2 . . . . 10 MET HG2 . 11290 1 34 . 1 1 10 10 MET HG3 H 1 2.414 0.030 . 2 . . . . 10 MET HG3 . 11290 1 35 . 1 1 10 10 MET C C 13 174.932 0.300 . 1 . . . . 10 MET C . 11290 1 36 . 1 1 10 10 MET CA C 13 54.362 0.300 . 1 . . . . 10 MET CA . 11290 1 37 . 1 1 10 10 MET CB C 13 34.377 0.300 . 1 . . . . 10 MET CB . 11290 1 38 . 1 1 10 10 MET CE C 13 16.868 0.300 . 1 . . . . 10 MET CE . 11290 1 39 . 1 1 10 10 MET CG C 13 29.879 0.300 . 1 . . . . 10 MET CG . 11290 1 40 . 1 1 10 10 MET N N 15 119.082 0.300 . 1 . . . . 10 MET N . 11290 1 41 . 1 1 11 11 PRO HA H 1 4.672 0.030 . 1 . . . . 11 PRO HA . 11290 1 42 . 1 1 11 11 PRO HB2 H 1 2.255 0.030 . 2 . . . . 11 PRO HB2 . 11290 1 43 . 1 1 11 11 PRO HB3 H 1 2.185 0.030 . 2 . . . . 11 PRO HB3 . 11290 1 44 . 1 1 11 11 PRO HD2 H 1 4.368 0.030 . 2 . . . . 11 PRO HD2 . 11290 1 45 . 1 1 11 11 PRO HD3 H 1 3.835 0.030 . 2 . . . . 11 PRO HD3 . 11290 1 46 . 1 1 11 11 PRO HG2 H 1 2.019 0.030 . 2 . . . . 11 PRO HG2 . 11290 1 47 . 1 1 11 11 PRO HG3 H 1 1.874 0.030 . 2 . . . . 11 PRO HG3 . 11290 1 48 . 1 1 11 11 PRO C C 13 175.612 0.300 . 1 . . . . 11 PRO C . 11290 1 49 . 1 1 11 11 PRO CA C 13 62.141 0.300 . 1 . . . . 11 PRO CA . 11290 1 50 . 1 1 11 11 PRO CB C 13 32.336 0.300 . 1 . . . . 11 PRO CB . 11290 1 51 . 1 1 11 11 PRO CD C 13 51.457 0.300 . 1 . . . . 11 PRO CD . 11290 1 52 . 1 1 11 11 PRO CG C 13 28.175 0.300 . 1 . . . . 11 PRO CG . 11290 1 53 . 1 1 12 12 ALA H H 1 8.314 0.030 . 1 . . . . 12 ALA H . 11290 1 54 . 1 1 12 12 ALA HA H 1 4.436 0.030 . 1 . . . . 12 ALA HA . 11290 1 55 . 1 1 12 12 ALA HB1 H 1 1.521 0.030 . 1 . . . . 12 ALA HB . 11290 1 56 . 1 1 12 12 ALA HB2 H 1 1.521 0.030 . 1 . . . . 12 ALA HB . 11290 1 57 . 1 1 12 12 ALA HB3 H 1 1.521 0.030 . 1 . . . . 12 ALA HB . 11290 1 58 . 1 1 12 12 ALA C C 13 177.715 0.300 . 1 . . . . 12 ALA C . 11290 1 59 . 1 1 12 12 ALA CA C 13 51.704 0.300 . 1 . . . . 12 ALA CA . 11290 1 60 . 1 1 12 12 ALA CB C 13 19.208 0.300 . 1 . . . . 12 ALA CB . 11290 1 61 . 1 1 12 12 ALA N N 15 121.593 0.300 . 1 . . . . 12 ALA N . 11290 1 62 . 1 1 13 13 SER H H 1 8.455 0.030 . 1 . . . . 13 SER H . 11290 1 63 . 1 1 13 13 SER HA H 1 4.617 0.030 . 1 . . . . 13 SER HA . 11290 1 64 . 1 1 13 13 SER HB2 H 1 4.087 0.030 . 2 . . . . 13 SER HB2 . 11290 1 65 . 1 1 13 13 SER HB3 H 1 3.714 0.030 . 2 . . . . 13 SER HB3 . 11290 1 66 . 1 1 13 13 SER C C 13 172.189 0.300 . 1 . . . . 13 SER C . 11290 1 67 . 1 1 13 13 SER CA C 13 58.200 0.300 . 1 . . . . 13 SER CA . 11290 1 68 . 1 1 13 13 SER CB C 13 62.356 0.300 . 1 . . . . 13 SER CB . 11290 1 69 . 1 1 13 13 SER N N 15 115.525 0.300 . 1 . . . . 13 SER N . 11290 1 70 . 1 1 14 14 PRO HA H 1 5.035 0.030 . 1 . . . . 14 PRO HA . 11290 1 71 . 1 1 14 14 PRO HB2 H 1 2.342 0.030 . 2 . . . . 14 PRO HB2 . 11290 1 72 . 1 1 14 14 PRO HB3 H 1 2.012 0.030 . 2 . . . . 14 PRO HB3 . 11290 1 73 . 1 1 14 14 PRO HD2 H 1 3.715 0.030 . 2 . . . . 14 PRO HD2 . 11290 1 74 . 1 1 14 14 PRO HD3 H 1 3.862 0.030 . 2 . . . . 14 PRO HD3 . 11290 1 75 . 1 1 14 14 PRO HG2 H 1 1.889 0.030 . 2 . . . . 14 PRO HG2 . 11290 1 76 . 1 1 14 14 PRO HG3 H 1 1.653 0.030 . 2 . . . . 14 PRO HG3 . 11290 1 77 . 1 1 14 14 PRO C C 13 173.981 0.300 . 1 . . . . 14 PRO C . 11290 1 78 . 1 1 14 14 PRO CA C 13 62.664 0.300 . 1 . . . . 14 PRO CA . 11290 1 79 . 1 1 14 14 PRO CB C 13 33.305 0.300 . 1 . . . . 14 PRO CB . 11290 1 80 . 1 1 14 14 PRO CD C 13 49.593 0.300 . 1 . . . . 14 PRO CD . 11290 1 81 . 1 1 14 14 PRO CG C 13 27.520 0.300 . 1 . . . . 14 PRO CG . 11290 1 82 . 1 1 15 15 VAL H H 1 9.340 0.030 . 1 . . . . 15 VAL H . 11290 1 83 . 1 1 15 15 VAL HA H 1 4.509 0.030 . 1 . . . . 15 VAL HA . 11290 1 84 . 1 1 15 15 VAL HB H 1 1.976 0.030 . 1 . . . . 15 VAL HB . 11290 1 85 . 1 1 15 15 VAL HG11 H 1 0.884 0.030 . 1 . . . . 15 VAL HG1 . 11290 1 86 . 1 1 15 15 VAL HG12 H 1 0.884 0.030 . 1 . . . . 15 VAL HG1 . 11290 1 87 . 1 1 15 15 VAL HG13 H 1 0.884 0.030 . 1 . . . . 15 VAL HG1 . 11290 1 88 . 1 1 15 15 VAL HG21 H 1 0.858 0.030 . 1 . . . . 15 VAL HG2 . 11290 1 89 . 1 1 15 15 VAL HG22 H 1 0.858 0.030 . 1 . . . . 15 VAL HG2 . 11290 1 90 . 1 1 15 15 VAL HG23 H 1 0.858 0.030 . 1 . . . . 15 VAL HG2 . 11290 1 91 . 1 1 15 15 VAL C C 13 174.220 0.300 . 1 . . . . 15 VAL C . 11290 1 92 . 1 1 15 15 VAL CA C 13 59.834 0.300 . 1 . . . . 15 VAL CA . 11290 1 93 . 1 1 15 15 VAL CB C 13 34.962 0.300 . 1 . . . . 15 VAL CB . 11290 1 94 . 1 1 15 15 VAL CG1 C 13 21.051 0.300 . 2 . . . . 15 VAL CG1 . 11290 1 95 . 1 1 15 15 VAL CG2 C 13 20.340 0.300 . 2 . . . . 15 VAL CG2 . 11290 1 96 . 1 1 15 15 VAL N N 15 116.574 0.300 . 1 . . . . 15 VAL N . 11290 1 97 . 1 1 16 16 LEU H H 1 7.978 0.030 . 1 . . . . 16 LEU H . 11290 1 98 . 1 1 16 16 LEU HA H 1 4.156 0.030 . 1 . . . . 16 LEU HA . 11290 1 99 . 1 1 16 16 LEU HB2 H 1 1.306 0.030 . 2 . . . . 16 LEU HB2 . 11290 1 100 . 1 1 16 16 LEU HB3 H 1 -0.474 0.030 . 2 . . . . 16 LEU HB3 . 11290 1 101 . 1 1 16 16 LEU HD11 H 1 0.524 0.030 . 1 . . . . 16 LEU HD1 . 11290 1 102 . 1 1 16 16 LEU HD12 H 1 0.524 0.030 . 1 . . . . 16 LEU HD1 . 11290 1 103 . 1 1 16 16 LEU HD13 H 1 0.524 0.030 . 1 . . . . 16 LEU HD1 . 11290 1 104 . 1 1 16 16 LEU HD21 H 1 0.712 0.030 . 1 . . . . 16 LEU HD2 . 11290 1 105 . 1 1 16 16 LEU HD22 H 1 0.712 0.030 . 1 . . . . 16 LEU HD2 . 11290 1 106 . 1 1 16 16 LEU HD23 H 1 0.712 0.030 . 1 . . . . 16 LEU HD2 . 11290 1 107 . 1 1 16 16 LEU HG H 1 0.879 0.030 . 1 . . . . 16 LEU HG . 11290 1 108 . 1 1 16 16 LEU C C 13 176.969 0.300 . 1 . . . . 16 LEU C . 11290 1 109 . 1 1 16 16 LEU CA C 13 53.693 0.300 . 1 . . . . 16 LEU CA . 11290 1 110 . 1 1 16 16 LEU CB C 13 41.718 0.300 . 1 . . . . 16 LEU CB . 11290 1 111 . 1 1 16 16 LEU CD1 C 13 24.752 0.300 . 2 . . . . 16 LEU CD1 . 11290 1 112 . 1 1 16 16 LEU CD2 C 13 26.179 0.300 . 2 . . . . 16 LEU CD2 . 11290 1 113 . 1 1 16 16 LEU CG C 13 26.600 0.300 . 1 . . . . 16 LEU CG . 11290 1 114 . 1 1 16 16 LEU N N 15 125.237 0.300 . 1 . . . . 16 LEU N . 11290 1 115 . 1 1 17 17 THR H H 1 9.042 0.030 . 1 . . . . 17 THR H . 11290 1 116 . 1 1 17 17 THR HA H 1 4.156 0.030 . 1 . . . . 17 THR HA . 11290 1 117 . 1 1 17 17 THR HB H 1 3.928 0.030 . 1 . . . . 17 THR HB . 11290 1 118 . 1 1 17 17 THR HG21 H 1 1.011 0.030 . 1 . . . . 17 THR HG2 . 11290 1 119 . 1 1 17 17 THR HG22 H 1 1.011 0.030 . 1 . . . . 17 THR HG2 . 11290 1 120 . 1 1 17 17 THR HG23 H 1 1.011 0.030 . 1 . . . . 17 THR HG2 . 11290 1 121 . 1 1 17 17 THR C C 13 175.413 0.300 . 1 . . . . 17 THR C . 11290 1 122 . 1 1 17 17 THR CA C 13 63.724 0.300 . 1 . . . . 17 THR CA . 11290 1 123 . 1 1 17 17 THR CB C 13 68.376 0.300 . 1 . . . . 17 THR CB . 11290 1 124 . 1 1 17 17 THR CG2 C 13 22.506 0.300 . 1 . . . . 17 THR CG2 . 11290 1 125 . 1 1 17 17 THR N N 15 123.991 0.300 . 1 . . . . 17 THR N . 11290 1 126 . 1 1 18 18 LYS H H 1 7.372 0.030 . 1 . . . . 18 LYS H . 11290 1 127 . 1 1 18 18 LYS HA H 1 4.289 0.030 . 1 . . . . 18 LYS HA . 11290 1 128 . 1 1 18 18 LYS HB2 H 1 1.983 0.030 . 2 . . . . 18 LYS HB2 . 11290 1 129 . 1 1 18 18 LYS HB3 H 1 1.899 0.030 . 2 . . . . 18 LYS HB3 . 11290 1 130 . 1 1 18 18 LYS HD2 H 1 1.840 0.030 . 1 . . . . 18 LYS HD2 . 11290 1 131 . 1 1 18 18 LYS HD3 H 1 1.840 0.030 . 1 . . . . 18 LYS HD3 . 11290 1 132 . 1 1 18 18 LYS HE2 H 1 3.044 0.030 . 1 . . . . 18 LYS HE2 . 11290 1 133 . 1 1 18 18 LYS HE3 H 1 3.044 0.030 . 1 . . . . 18 LYS HE3 . 11290 1 134 . 1 1 18 18 LYS HG2 H 1 1.620 0.030 . 2 . . . . 18 LYS HG2 . 11290 1 135 . 1 1 18 18 LYS HG3 H 1 1.531 0.030 . 2 . . . . 18 LYS HG3 . 11290 1 136 . 1 1 18 18 LYS C C 13 172.304 0.300 . 1 . . . . 18 LYS C . 11290 1 137 . 1 1 18 18 LYS CA C 13 56.576 0.300 . 1 . . . . 18 LYS CA . 11290 1 138 . 1 1 18 18 LYS CB C 13 35.912 0.300 . 1 . . . . 18 LYS CB . 11290 1 139 . 1 1 18 18 LYS CD C 13 29.119 0.300 . 1 . . . . 18 LYS CD . 11290 1 140 . 1 1 18 18 LYS CE C 13 42.139 0.300 . 1 . . . . 18 LYS CE . 11290 1 141 . 1 1 18 18 LYS CG C 13 25.334 0.300 . 1 . . . . 18 LYS CG . 11290 1 142 . 1 1 18 18 LYS N N 15 119.624 0.300 . 1 . . . . 18 LYS N . 11290 1 143 . 1 1 19 19 ALA H H 1 8.393 0.030 . 1 . . . . 19 ALA H . 11290 1 144 . 1 1 19 19 ALA HA H 1 4.478 0.030 . 1 . . . . 19 ALA HA . 11290 1 145 . 1 1 19 19 ALA HB1 H 1 1.313 0.030 . 1 . . . . 19 ALA HB . 11290 1 146 . 1 1 19 19 ALA HB2 H 1 1.313 0.030 . 1 . . . . 19 ALA HB . 11290 1 147 . 1 1 19 19 ALA HB3 H 1 1.313 0.030 . 1 . . . . 19 ALA HB . 11290 1 148 . 1 1 19 19 ALA C C 13 174.755 0.300 . 1 . . . . 19 ALA C . 11290 1 149 . 1 1 19 19 ALA CA C 13 50.930 0.300 . 1 . . . . 19 ALA CA . 11290 1 150 . 1 1 19 19 ALA CB C 13 23.374 0.300 . 1 . . . . 19 ALA CB . 11290 1 151 . 1 1 19 19 ALA N N 15 126.007 0.300 . 1 . . . . 19 ALA N . 11290 1 152 . 1 1 20 20 GLY H H 1 7.137 0.030 . 1 . . . . 20 GLY H . 11290 1 153 . 1 1 20 20 GLY HA2 H 1 3.983 0.030 . 2 . . . . 20 GLY HA2 . 11290 1 154 . 1 1 20 20 GLY HA3 H 1 1.583 0.030 . 2 . . . . 20 GLY HA3 . 11290 1 155 . 1 1 20 20 GLY C C 13 173.638 0.300 . 1 . . . . 20 GLY C . 11290 1 156 . 1 1 20 20 GLY CA C 13 42.327 0.300 . 1 . . . . 20 GLY CA . 11290 1 157 . 1 1 20 20 GLY N N 15 109.609 0.300 . 1 . . . . 20 GLY N . 11290 1 158 . 1 1 21 21 ILE H H 1 8.121 0.030 . 1 . . . . 21 ILE H . 11290 1 159 . 1 1 21 21 ILE HA H 1 3.997 0.030 . 1 . . . . 21 ILE HA . 11290 1 160 . 1 1 21 21 ILE HB H 1 1.719 0.030 . 1 . . . . 21 ILE HB . 11290 1 161 . 1 1 21 21 ILE HD11 H 1 0.956 0.030 . 1 . . . . 21 ILE HD1 . 11290 1 162 . 1 1 21 21 ILE HD12 H 1 0.956 0.030 . 1 . . . . 21 ILE HD1 . 11290 1 163 . 1 1 21 21 ILE HD13 H 1 0.956 0.030 . 1 . . . . 21 ILE HD1 . 11290 1 164 . 1 1 21 21 ILE HG12 H 1 1.614 0.030 . 2 . . . . 21 ILE HG12 . 11290 1 165 . 1 1 21 21 ILE HG13 H 1 0.954 0.030 . 2 . . . . 21 ILE HG13 . 11290 1 166 . 1 1 21 21 ILE HG21 H 1 0.953 0.030 . 1 . . . . 21 ILE HG2 . 11290 1 167 . 1 1 21 21 ILE HG22 H 1 0.953 0.030 . 1 . . . . 21 ILE HG2 . 11290 1 168 . 1 1 21 21 ILE HG23 H 1 0.953 0.030 . 1 . . . . 21 ILE HG2 . 11290 1 169 . 1 1 21 21 ILE C C 13 174.940 0.300 . 1 . . . . 21 ILE C . 11290 1 170 . 1 1 21 21 ILE CA C 13 64.399 0.300 . 1 . . . . 21 ILE CA . 11290 1 171 . 1 1 21 21 ILE CB C 13 38.555 0.300 . 1 . . . . 21 ILE CB . 11290 1 172 . 1 1 21 21 ILE CD1 C 13 14.323 0.300 . 1 . . . . 21 ILE CD1 . 11290 1 173 . 1 1 21 21 ILE CG1 C 13 28.204 0.300 . 1 . . . . 21 ILE CG1 . 11290 1 174 . 1 1 21 21 ILE CG2 C 13 18.355 0.300 . 1 . . . . 21 ILE CG2 . 11290 1 175 . 1 1 21 21 ILE N N 15 119.240 0.300 . 1 . . . . 21 ILE N . 11290 1 176 . 1 1 22 22 THR H H 1 6.202 0.030 . 1 . . . . 22 THR H . 11290 1 177 . 1 1 22 22 THR HA H 1 4.360 0.030 . 1 . . . . 22 THR HA . 11290 1 178 . 1 1 22 22 THR HB H 1 4.832 0.030 . 1 . . . . 22 THR HB . 11290 1 179 . 1 1 22 22 THR HG21 H 1 1.172 0.030 . 1 . . . . 22 THR HG2 . 11290 1 180 . 1 1 22 22 THR HG22 H 1 1.172 0.030 . 1 . . . . 22 THR HG2 . 11290 1 181 . 1 1 22 22 THR HG23 H 1 1.172 0.030 . 1 . . . . 22 THR HG2 . 11290 1 182 . 1 1 22 22 THR C C 13 173.770 0.300 . 1 . . . . 22 THR C . 11290 1 183 . 1 1 22 22 THR CA C 13 58.968 0.300 . 1 . . . . 22 THR CA . 11290 1 184 . 1 1 22 22 THR CB C 13 70.148 0.300 . 1 . . . . 22 THR CB . 11290 1 185 . 1 1 22 22 THR CG2 C 13 21.298 0.300 . 1 . . . . 22 THR CG2 . 11290 1 186 . 1 1 22 22 THR N N 15 98.525 0.300 . 1 . . . . 22 THR N . 11290 1 187 . 1 1 23 23 TRP H H 1 6.707 0.030 . 1 . . . . 23 TRP H . 11290 1 188 . 1 1 23 23 TRP HA H 1 5.474 0.030 . 1 . . . . 23 TRP HA . 11290 1 189 . 1 1 23 23 TRP HB2 H 1 3.284 0.030 . 2 . . . . 23 TRP HB2 . 11290 1 190 . 1 1 23 23 TRP HB3 H 1 2.983 0.030 . 2 . . . . 23 TRP HB3 . 11290 1 191 . 1 1 23 23 TRP HD1 H 1 7.112 0.030 . 1 . . . . 23 TRP HD1 . 11290 1 192 . 1 1 23 23 TRP HE1 H 1 10.150 0.030 . 1 . . . . 23 TRP HE1 . 11290 1 193 . 1 1 23 23 TRP HE3 H 1 7.093 0.030 . 1 . . . . 23 TRP HE3 . 11290 1 194 . 1 1 23 23 TRP HH2 H 1 6.890 0.030 . 1 . . . . 23 TRP HH2 . 11290 1 195 . 1 1 23 23 TRP HZ2 H 1 7.447 0.030 . 1 . . . . 23 TRP HZ2 . 11290 1 196 . 1 1 23 23 TRP HZ3 H 1 6.754 0.030 . 1 . . . . 23 TRP HZ3 . 11290 1 197 . 1 1 23 23 TRP C C 13 173.675 0.300 . 1 . . . . 23 TRP C . 11290 1 198 . 1 1 23 23 TRP CA C 13 54.400 0.300 . 1 . . . . 23 TRP CA . 11290 1 199 . 1 1 23 23 TRP CB C 13 31.879 0.300 . 1 . . . . 23 TRP CB . 11290 1 200 . 1 1 23 23 TRP CD1 C 13 127.859 0.300 . 1 . . . . 23 TRP CD1 . 11290 1 201 . 1 1 23 23 TRP CE3 C 13 120.661 0.300 . 1 . . . . 23 TRP CE3 . 11290 1 202 . 1 1 23 23 TRP CH2 C 13 124.376 0.300 . 1 . . . . 23 TRP CH2 . 11290 1 203 . 1 1 23 23 TRP CZ2 C 13 114.796 0.300 . 1 . . . . 23 TRP CZ2 . 11290 1 204 . 1 1 23 23 TRP CZ3 C 13 121.822 0.300 . 1 . . . . 23 TRP CZ3 . 11290 1 205 . 1 1 23 23 TRP N N 15 116.257 0.300 . 1 . . . . 23 TRP N . 11290 1 206 . 1 1 23 23 TRP NE1 N 15 129.989 0.300 . 1 . . . . 23 TRP NE1 . 11290 1 207 . 1 1 24 24 LEU H H 1 8.575 0.030 . 1 . . . . 24 LEU H . 11290 1 208 . 1 1 24 24 LEU HA H 1 4.606 0.030 . 1 . . . . 24 LEU HA . 11290 1 209 . 1 1 24 24 LEU HB2 H 1 1.500 0.030 . 2 . . . . 24 LEU HB2 . 11290 1 210 . 1 1 24 24 LEU HB3 H 1 1.102 0.030 . 2 . . . . 24 LEU HB3 . 11290 1 211 . 1 1 24 24 LEU HD11 H 1 1.086 0.030 . 1 . . . . 24 LEU HD1 . 11290 1 212 . 1 1 24 24 LEU HD12 H 1 1.086 0.030 . 1 . . . . 24 LEU HD1 . 11290 1 213 . 1 1 24 24 LEU HD13 H 1 1.086 0.030 . 1 . . . . 24 LEU HD1 . 11290 1 214 . 1 1 24 24 LEU HD21 H 1 0.958 0.030 . 1 . . . . 24 LEU HD2 . 11290 1 215 . 1 1 24 24 LEU HD22 H 1 0.958 0.030 . 1 . . . . 24 LEU HD2 . 11290 1 216 . 1 1 24 24 LEU HD23 H 1 0.958 0.030 . 1 . . . . 24 LEU HD2 . 11290 1 217 . 1 1 24 24 LEU HG H 1 1.411 0.030 . 1 . . . . 24 LEU HG . 11290 1 218 . 1 1 24 24 LEU C C 13 174.601 0.300 . 1 . . . . 24 LEU C . 11290 1 219 . 1 1 24 24 LEU CA C 13 54.573 0.300 . 1 . . . . 24 LEU CA . 11290 1 220 . 1 1 24 24 LEU CB C 13 47.089 0.300 . 1 . . . . 24 LEU CB . 11290 1 221 . 1 1 24 24 LEU CD1 C 13 27.657 0.300 . 2 . . . . 24 LEU CD1 . 11290 1 222 . 1 1 24 24 LEU CD2 C 13 23.880 0.300 . 2 . . . . 24 LEU CD2 . 11290 1 223 . 1 1 24 24 LEU CG C 13 26.152 0.300 . 1 . . . . 24 LEU CG . 11290 1 224 . 1 1 24 24 LEU N N 15 117.227 0.300 . 1 . . . . 24 LEU N . 11290 1 225 . 1 1 25 25 SER H H 1 9.027 0.030 . 1 . . . . 25 SER H . 11290 1 226 . 1 1 25 25 SER HA H 1 5.057 0.030 . 1 . . . . 25 SER HA . 11290 1 227 . 1 1 25 25 SER HB2 H 1 4.006 0.030 . 2 . . . . 25 SER HB2 . 11290 1 228 . 1 1 25 25 SER HB3 H 1 3.816 0.030 . 2 . . . . 25 SER HB3 . 11290 1 229 . 1 1 25 25 SER C C 13 172.238 0.300 . 1 . . . . 25 SER C . 11290 1 230 . 1 1 25 25 SER CA C 13 58.480 0.300 . 1 . . . . 25 SER CA . 11290 1 231 . 1 1 25 25 SER CB C 13 63.766 0.300 . 1 . . . . 25 SER CB . 11290 1 232 . 1 1 25 25 SER N N 15 119.148 0.300 . 1 . . . . 25 SER N . 11290 1 233 . 1 1 26 26 LEU H H 1 8.671 0.030 . 1 . . . . 26 LEU H . 11290 1 234 . 1 1 26 26 LEU HA H 1 5.448 0.030 . 1 . . . . 26 LEU HA . 11290 1 235 . 1 1 26 26 LEU HB2 H 1 1.840 0.030 . 2 . . . . 26 LEU HB2 . 11290 1 236 . 1 1 26 26 LEU HB3 H 1 1.628 0.030 . 2 . . . . 26 LEU HB3 . 11290 1 237 . 1 1 26 26 LEU HD11 H 1 0.262 0.030 . 1 . . . . 26 LEU HD1 . 11290 1 238 . 1 1 26 26 LEU HD12 H 1 0.262 0.030 . 1 . . . . 26 LEU HD1 . 11290 1 239 . 1 1 26 26 LEU HD13 H 1 0.262 0.030 . 1 . . . . 26 LEU HD1 . 11290 1 240 . 1 1 26 26 LEU HD21 H 1 0.271 0.030 . 1 . . . . 26 LEU HD2 . 11290 1 241 . 1 1 26 26 LEU HD22 H 1 0.271 0.030 . 1 . . . . 26 LEU HD2 . 11290 1 242 . 1 1 26 26 LEU HD23 H 1 0.271 0.030 . 1 . . . . 26 LEU HD2 . 11290 1 243 . 1 1 26 26 LEU HG H 1 1.362 0.030 . 1 . . . . 26 LEU HG . 11290 1 244 . 1 1 26 26 LEU C C 13 176.899 0.300 . 1 . . . . 26 LEU C . 11290 1 245 . 1 1 26 26 LEU CA C 13 54.018 0.300 . 1 . . . . 26 LEU CA . 11290 1 246 . 1 1 26 26 LEU CB C 13 46.737 0.300 . 1 . . . . 26 LEU CB . 11290 1 247 . 1 1 26 26 LEU CD1 C 13 25.468 0.300 . 2 . . . . 26 LEU CD1 . 11290 1 248 . 1 1 26 26 LEU CD2 C 13 25.690 0.300 . 2 . . . . 26 LEU CD2 . 11290 1 249 . 1 1 26 26 LEU CG C 13 28.732 0.300 . 1 . . . . 26 LEU CG . 11290 1 250 . 1 1 26 26 LEU N N 15 127.069 0.300 . 1 . . . . 26 LEU N . 11290 1 251 . 1 1 27 27 GLN H H 1 9.082 0.030 . 1 . . . . 27 GLN H . 11290 1 252 . 1 1 27 27 GLN HA H 1 4.737 0.030 . 1 . . . . 27 GLN HA . 11290 1 253 . 1 1 27 27 GLN HB2 H 1 1.858 0.030 . 2 . . . . 27 GLN HB2 . 11290 1 254 . 1 1 27 27 GLN HB3 H 1 1.680 0.030 . 2 . . . . 27 GLN HB3 . 11290 1 255 . 1 1 27 27 GLN HE21 H 1 7.301 0.030 . 2 . . . . 27 GLN HE21 . 11290 1 256 . 1 1 27 27 GLN HE22 H 1 6.642 0.030 . 2 . . . . 27 GLN HE22 . 11290 1 257 . 1 1 27 27 GLN HG2 H 1 2.140 0.030 . 1 . . . . 27 GLN HG2 . 11290 1 258 . 1 1 27 27 GLN HG3 H 1 2.140 0.030 . 1 . . . . 27 GLN HG3 . 11290 1 259 . 1 1 27 27 GLN C C 13 173.127 0.300 . 1 . . . . 27 GLN C . 11290 1 260 . 1 1 27 27 GLN CA C 13 54.661 0.300 . 1 . . . . 27 GLN CA . 11290 1 261 . 1 1 27 27 GLN CB C 13 33.494 0.300 . 1 . . . . 27 GLN CB . 11290 1 262 . 1 1 27 27 GLN CG C 13 33.812 0.300 . 1 . . . . 27 GLN CG . 11290 1 263 . 1 1 27 27 GLN N N 15 120.130 0.300 . 1 . . . . 27 GLN N . 11290 1 264 . 1 1 27 27 GLN NE2 N 15 111.976 0.300 . 1 . . . . 27 GLN NE2 . 11290 1 265 . 1 1 28 28 TRP H H 1 8.326 0.030 . 1 . . . . 28 TRP H . 11290 1 266 . 1 1 28 28 TRP HA H 1 5.247 0.030 . 1 . . . . 28 TRP HA . 11290 1 267 . 1 1 28 28 TRP HB2 H 1 3.671 0.030 . 2 . . . . 28 TRP HB2 . 11290 1 268 . 1 1 28 28 TRP HB3 H 1 3.062 0.030 . 2 . . . . 28 TRP HB3 . 11290 1 269 . 1 1 28 28 TRP HD1 H 1 6.114 0.030 . 1 . . . . 28 TRP HD1 . 11290 1 270 . 1 1 28 28 TRP HE1 H 1 7.740 0.030 . 1 . . . . 28 TRP HE1 . 11290 1 271 . 1 1 28 28 TRP HE3 H 1 6.848 0.030 . 1 . . . . 28 TRP HE3 . 11290 1 272 . 1 1 28 28 TRP HH2 H 1 6.447 0.030 . 1 . . . . 28 TRP HH2 . 11290 1 273 . 1 1 28 28 TRP HZ2 H 1 7.294 0.030 . 1 . . . . 28 TRP HZ2 . 11290 1 274 . 1 1 28 28 TRP HZ3 H 1 6.591 0.030 . 1 . . . . 28 TRP HZ3 . 11290 1 275 . 1 1 28 28 TRP C C 13 173.113 0.300 . 1 . . . . 28 TRP C . 11290 1 276 . 1 1 28 28 TRP CA C 13 57.037 0.300 . 1 . . . . 28 TRP CA . 11290 1 277 . 1 1 28 28 TRP CB C 13 28.031 0.300 . 1 . . . . 28 TRP CB . 11290 1 278 . 1 1 28 28 TRP CD1 C 13 125.548 0.300 . 1 . . . . 28 TRP CD1 . 11290 1 279 . 1 1 28 28 TRP CE3 C 13 118.340 0.300 . 1 . . . . 28 TRP CE3 . 11290 1 280 . 1 1 28 28 TRP CH2 C 13 122.983 0.300 . 1 . . . . 28 TRP CH2 . 11290 1 281 . 1 1 28 28 TRP CZ2 C 13 115.386 0.300 . 1 . . . . 28 TRP CZ2 . 11290 1 282 . 1 1 28 28 TRP CZ3 C 13 120.919 0.300 . 1 . . . . 28 TRP CZ3 . 11290 1 283 . 1 1 28 28 TRP N N 15 121.950 0.300 . 1 . . . . 28 TRP N . 11290 1 284 . 1 1 28 28 TRP NE1 N 15 130.059 0.300 . 1 . . . . 28 TRP NE1 . 11290 1 285 . 1 1 29 29 SER H H 1 8.385 0.030 . 1 . . . . 29 SER H . 11290 1 286 . 1 1 29 29 SER HA H 1 4.784 0.030 . 1 . . . . 29 SER HA . 11290 1 287 . 1 1 29 29 SER HB2 H 1 3.803 0.030 . 2 . . . . 29 SER HB2 . 11290 1 288 . 1 1 29 29 SER HB3 H 1 3.728 0.030 . 2 . . . . 29 SER HB3 . 11290 1 289 . 1 1 29 29 SER C C 13 173.254 0.300 . 1 . . . . 29 SER C . 11290 1 290 . 1 1 29 29 SER CA C 13 57.213 0.300 . 1 . . . . 29 SER CA . 11290 1 291 . 1 1 29 29 SER CB C 13 66.355 0.300 . 1 . . . . 29 SER CB . 11290 1 292 . 1 1 29 29 SER N N 15 111.312 0.300 . 1 . . . . 29 SER N . 11290 1 293 . 1 1 30 30 LYS H H 1 8.480 0.030 . 1 . . . . 30 LYS H . 11290 1 294 . 1 1 30 30 LYS HA H 1 5.104 0.030 . 1 . . . . 30 LYS HA . 11290 1 295 . 1 1 30 30 LYS HB2 H 1 1.822 0.030 . 1 . . . . 30 LYS HB2 . 11290 1 296 . 1 1 30 30 LYS HB3 H 1 1.822 0.030 . 1 . . . . 30 LYS HB3 . 11290 1 297 . 1 1 30 30 LYS HD2 H 1 1.756 0.030 . 1 . . . . 30 LYS HD2 . 11290 1 298 . 1 1 30 30 LYS HD3 H 1 1.756 0.030 . 1 . . . . 30 LYS HD3 . 11290 1 299 . 1 1 30 30 LYS HE2 H 1 3.063 0.030 . 1 . . . . 30 LYS HE2 . 11290 1 300 . 1 1 30 30 LYS HE3 H 1 3.063 0.030 . 1 . . . . 30 LYS HE3 . 11290 1 301 . 1 1 30 30 LYS HG2 H 1 1.669 0.030 . 2 . . . . 30 LYS HG2 . 11290 1 302 . 1 1 30 30 LYS HG3 H 1 1.583 0.030 . 2 . . . . 30 LYS HG3 . 11290 1 303 . 1 1 30 30 LYS C C 13 176.000 0.300 . 1 . . . . 30 LYS C . 11290 1 304 . 1 1 30 30 LYS CA C 13 54.711 0.300 . 1 . . . . 30 LYS CA . 11290 1 305 . 1 1 30 30 LYS CB C 13 32.996 0.300 . 1 . . . . 30 LYS CB . 11290 1 306 . 1 1 30 30 LYS CD C 13 29.688 0.300 . 1 . . . . 30 LYS CD . 11290 1 307 . 1 1 30 30 LYS CE C 13 42.194 0.300 . 1 . . . . 30 LYS CE . 11290 1 308 . 1 1 30 30 LYS CG C 13 24.167 0.300 . 1 . . . . 30 LYS CG . 11290 1 309 . 1 1 30 30 LYS N N 15 124.084 0.300 . 1 . . . . 30 LYS N . 11290 1 310 . 1 1 31 31 PRO HA H 1 4.568 0.030 . 1 . . . . 31 PRO HA . 11290 1 311 . 1 1 31 31 PRO HB2 H 1 2.117 0.030 . 1 . . . . 31 PRO HB2 . 11290 1 312 . 1 1 31 31 PRO HB3 H 1 2.117 0.030 . 1 . . . . 31 PRO HB3 . 11290 1 313 . 1 1 31 31 PRO HD2 H 1 4.213 0.030 . 2 . . . . 31 PRO HD2 . 11290 1 314 . 1 1 31 31 PRO HD3 H 1 3.835 0.030 . 2 . . . . 31 PRO HD3 . 11290 1 315 . 1 1 31 31 PRO HG2 H 1 2.065 0.030 . 2 . . . . 31 PRO HG2 . 11290 1 316 . 1 1 31 31 PRO HG3 H 1 1.847 0.030 . 2 . . . . 31 PRO HG3 . 11290 1 317 . 1 1 31 31 PRO CA C 13 62.819 0.300 . 1 . . . . 31 PRO CA . 11290 1 318 . 1 1 31 31 PRO CB C 13 32.425 0.300 . 1 . . . . 31 PRO CB . 11290 1 319 . 1 1 31 31 PRO CD C 13 51.025 0.300 . 1 . . . . 31 PRO CD . 11290 1 320 . 1 1 31 31 PRO CG C 13 28.080 0.300 . 1 . . . . 31 PRO CG . 11290 1 321 . 1 1 32 32 SER H H 1 8.684 0.030 . 1 . . . . 32 SER H . 11290 1 322 . 1 1 32 32 SER HA H 1 4.493 0.030 . 1 . . . . 32 SER HA . 11290 1 323 . 1 1 32 32 SER HB2 H 1 3.921 0.030 . 1 . . . . 32 SER HB2 . 11290 1 324 . 1 1 32 32 SER HB3 H 1 3.921 0.030 . 1 . . . . 32 SER HB3 . 11290 1 325 . 1 1 32 32 SER CA C 13 58.356 0.300 . 1 . . . . 32 SER CA . 11290 1 326 . 1 1 32 32 SER CB C 13 63.646 0.300 . 1 . . . . 32 SER CB . 11290 1 327 . 1 1 32 32 SER N N 15 118.411 0.300 . 1 . . . . 32 SER N . 11290 1 328 . 1 1 33 33 GLY HA2 H 1 4.162 0.030 . 2 . . . . 33 GLY HA2 . 11290 1 329 . 1 1 33 33 GLY HA3 H 1 3.859 0.030 . 2 . . . . 33 GLY HA3 . 11290 1 330 . 1 1 33 33 GLY C C 13 174.358 0.300 . 1 . . . . 33 GLY C . 11290 1 331 . 1 1 33 33 GLY CA C 13 45.551 0.300 . 1 . . . . 33 GLY CA . 11290 1 332 . 1 1 34 34 THR H H 1 7.848 0.030 . 1 . . . . 34 THR H . 11290 1 333 . 1 1 34 34 THR HA H 1 4.635 0.030 . 1 . . . . 34 THR HA . 11290 1 334 . 1 1 34 34 THR HB H 1 4.125 0.030 . 1 . . . . 34 THR HB . 11290 1 335 . 1 1 34 34 THR HG21 H 1 1.289 0.030 . 1 . . . . 34 THR HG2 . 11290 1 336 . 1 1 34 34 THR HG22 H 1 1.289 0.030 . 1 . . . . 34 THR HG2 . 11290 1 337 . 1 1 34 34 THR HG23 H 1 1.289 0.030 . 1 . . . . 34 THR HG2 . 11290 1 338 . 1 1 34 34 THR C C 13 173.306 0.300 . 1 . . . . 34 THR C . 11290 1 339 . 1 1 34 34 THR CA C 13 60.304 0.300 . 1 . . . . 34 THR CA . 11290 1 340 . 1 1 34 34 THR CB C 13 69.909 0.300 . 1 . . . . 34 THR CB . 11290 1 341 . 1 1 34 34 THR CG2 C 13 21.670 0.300 . 1 . . . . 34 THR CG2 . 11290 1 342 . 1 1 34 34 THR N N 15 116.590 0.300 . 1 . . . . 34 THR N . 11290 1 343 . 1 1 35 35 PRO HA H 1 4.460 0.030 . 1 . . . . 35 PRO HA . 11290 1 344 . 1 1 35 35 PRO HB2 H 1 2.386 0.030 . 2 . . . . 35 PRO HB2 . 11290 1 345 . 1 1 35 35 PRO HB3 H 1 1.984 0.030 . 2 . . . . 35 PRO HB3 . 11290 1 346 . 1 1 35 35 PRO HD2 H 1 3.975 0.030 . 2 . . . . 35 PRO HD2 . 11290 1 347 . 1 1 35 35 PRO HD3 H 1 3.758 0.030 . 2 . . . . 35 PRO HD3 . 11290 1 348 . 1 1 35 35 PRO HG2 H 1 2.091 0.030 . 2 . . . . 35 PRO HG2 . 11290 1 349 . 1 1 35 35 PRO HG3 H 1 2.013 0.030 . 2 . . . . 35 PRO HG3 . 11290 1 350 . 1 1 35 35 PRO CA C 13 63.719 0.300 . 1 . . . . 35 PRO CA . 11290 1 351 . 1 1 35 35 PRO CB C 13 32.386 0.300 . 1 . . . . 35 PRO CB . 11290 1 352 . 1 1 35 35 PRO CD C 13 51.314 0.300 . 1 . . . . 35 PRO CD . 11290 1 353 . 1 1 35 35 PRO CG C 13 27.648 0.300 . 1 . . . . 35 PRO CG . 11290 1 354 . 1 1 36 36 SER H H 1 8.321 0.030 . 1 . . . . 36 SER H . 11290 1 355 . 1 1 36 36 SER HA H 1 4.381 0.030 . 1 . . . . 36 SER HA . 11290 1 356 . 1 1 36 36 SER HB2 H 1 3.923 0.030 . 2 . . . . 36 SER HB2 . 11290 1 357 . 1 1 36 36 SER HB3 H 1 3.860 0.030 . 2 . . . . 36 SER HB3 . 11290 1 358 . 1 1 36 36 SER C C 13 174.413 0.300 . 1 . . . . 36 SER C . 11290 1 359 . 1 1 36 36 SER CA C 13 59.136 0.300 . 1 . . . . 36 SER CA . 11290 1 360 . 1 1 36 36 SER CB C 13 63.558 0.300 . 1 . . . . 36 SER CB . 11290 1 361 . 1 1 36 36 SER N N 15 115.135 0.300 . 1 . . . . 36 SER N . 11290 1 362 . 1 1 37 37 ASP H H 1 8.358 0.030 . 1 . . . . 37 ASP H . 11290 1 363 . 1 1 37 37 ASP HA H 1 4.621 0.030 . 1 . . . . 37 ASP HA . 11290 1 364 . 1 1 37 37 ASP HB2 H 1 2.726 0.030 . 1 . . . . 37 ASP HB2 . 11290 1 365 . 1 1 37 37 ASP HB3 H 1 2.726 0.030 . 1 . . . . 37 ASP HB3 . 11290 1 366 . 1 1 37 37 ASP C C 13 175.815 0.300 . 1 . . . . 37 ASP C . 11290 1 367 . 1 1 37 37 ASP CA C 13 54.487 0.300 . 1 . . . . 37 ASP CA . 11290 1 368 . 1 1 37 37 ASP CB C 13 40.749 0.300 . 1 . . . . 37 ASP CB . 11290 1 369 . 1 1 37 37 ASP N N 15 120.433 0.300 . 1 . . . . 37 ASP N . 11290 1 370 . 1 1 38 38 GLU H H 1 7.787 0.030 . 1 . . . . 38 GLU H . 11290 1 371 . 1 1 38 38 GLU HA H 1 4.363 0.030 . 1 . . . . 38 GLU HA . 11290 1 372 . 1 1 38 38 GLU HB2 H 1 2.037 0.030 . 2 . . . . 38 GLU HB2 . 11290 1 373 . 1 1 38 38 GLU HB3 H 1 1.906 0.030 . 2 . . . . 38 GLU HB3 . 11290 1 374 . 1 1 38 38 GLU HG2 H 1 2.264 0.030 . 1 . . . . 38 GLU HG2 . 11290 1 375 . 1 1 38 38 GLU HG3 H 1 2.264 0.030 . 1 . . . . 38 GLU HG3 . 11290 1 376 . 1 1 38 38 GLU C C 13 176.733 0.300 . 1 . . . . 38 GLU C . 11290 1 377 . 1 1 38 38 GLU CA C 13 56.319 0.300 . 1 . . . . 38 GLU CA . 11290 1 378 . 1 1 38 38 GLU CB C 13 31.060 0.300 . 1 . . . . 38 GLU CB . 11290 1 379 . 1 1 38 38 GLU CG C 13 36.243 0.300 . 1 . . . . 38 GLU CG . 11290 1 380 . 1 1 38 38 GLU N N 15 120.309 0.300 . 1 . . . . 38 GLU N . 11290 1 381 . 1 1 39 39 GLY H H 1 8.718 0.030 . 1 . . . . 39 GLY H . 11290 1 382 . 1 1 39 39 GLY HA2 H 1 4.028 0.030 . 2 . . . . 39 GLY HA2 . 11290 1 383 . 1 1 39 39 GLY HA3 H 1 3.807 0.030 . 2 . . . . 39 GLY HA3 . 11290 1 384 . 1 1 39 39 GLY C C 13 173.667 0.300 . 1 . . . . 39 GLY C . 11290 1 385 . 1 1 39 39 GLY CA C 13 46.142 0.300 . 1 . . . . 39 GLY CA . 11290 1 386 . 1 1 39 39 GLY N N 15 112.282 0.300 . 1 . . . . 39 GLY N . 11290 1 387 . 1 1 40 40 ILE H H 1 7.862 0.030 . 1 . . . . 40 ILE H . 11290 1 388 . 1 1 40 40 ILE HA H 1 4.308 0.030 . 1 . . . . 40 ILE HA . 11290 1 389 . 1 1 40 40 ILE HB H 1 1.763 0.030 . 1 . . . . 40 ILE HB . 11290 1 390 . 1 1 40 40 ILE HD11 H 1 0.834 0.030 . 1 . . . . 40 ILE HD1 . 11290 1 391 . 1 1 40 40 ILE HD12 H 1 0.834 0.030 . 1 . . . . 40 ILE HD1 . 11290 1 392 . 1 1 40 40 ILE HD13 H 1 0.834 0.030 . 1 . . . . 40 ILE HD1 . 11290 1 393 . 1 1 40 40 ILE HG12 H 1 1.381 0.030 . 2 . . . . 40 ILE HG12 . 11290 1 394 . 1 1 40 40 ILE HG13 H 1 1.033 0.030 . 2 . . . . 40 ILE HG13 . 11290 1 395 . 1 1 40 40 ILE HG21 H 1 0.613 0.030 . 1 . . . . 40 ILE HG2 . 11290 1 396 . 1 1 40 40 ILE HG22 H 1 0.613 0.030 . 1 . . . . 40 ILE HG2 . 11290 1 397 . 1 1 40 40 ILE HG23 H 1 0.613 0.030 . 1 . . . . 40 ILE HG2 . 11290 1 398 . 1 1 40 40 ILE C C 13 174.258 0.300 . 1 . . . . 40 ILE C . 11290 1 399 . 1 1 40 40 ILE CA C 13 60.099 0.300 . 1 . . . . 40 ILE CA . 11290 1 400 . 1 1 40 40 ILE CB C 13 39.678 0.300 . 1 . . . . 40 ILE CB . 11290 1 401 . 1 1 40 40 ILE CD1 C 13 13.189 0.300 . 1 . . . . 40 ILE CD1 . 11290 1 402 . 1 1 40 40 ILE CG1 C 13 28.031 0.300 . 1 . . . . 40 ILE CG1 . 11290 1 403 . 1 1 40 40 ILE CG2 C 13 18.504 0.300 . 1 . . . . 40 ILE CG2 . 11290 1 404 . 1 1 40 40 ILE N N 15 122.613 0.300 . 1 . . . . 40 ILE N . 11290 1 405 . 1 1 41 41 SER H H 1 8.188 0.030 . 1 . . . . 41 SER H . 11290 1 406 . 1 1 41 41 SER HA H 1 4.539 0.030 . 1 . . . . 41 SER HA . 11290 1 407 . 1 1 41 41 SER HB2 H 1 3.096 0.030 . 2 . . . . 41 SER HB2 . 11290 1 408 . 1 1 41 41 SER HB3 H 1 1.862 0.030 . 2 . . . . 41 SER HB3 . 11290 1 409 . 1 1 41 41 SER C C 13 170.149 0.300 . 1 . . . . 41 SER C . 11290 1 410 . 1 1 41 41 SER CA C 13 57.272 0.300 . 1 . . . . 41 SER CA . 11290 1 411 . 1 1 41 41 SER CB C 13 65.635 0.300 . 1 . . . . 41 SER CB . 11290 1 412 . 1 1 41 41 SER N N 15 122.059 0.300 . 1 . . . . 41 SER N . 11290 1 413 . 1 1 42 42 TYR H H 1 9.287 0.030 . 1 . . . . 42 TYR H . 11290 1 414 . 1 1 42 42 TYR HA H 1 5.612 0.030 . 1 . . . . 42 TYR HA . 11290 1 415 . 1 1 42 42 TYR HB2 H 1 3.084 0.030 . 2 . . . . 42 TYR HB2 . 11290 1 416 . 1 1 42 42 TYR HB3 H 1 2.688 0.030 . 2 . . . . 42 TYR HB3 . 11290 1 417 . 1 1 42 42 TYR HD1 H 1 7.182 0.030 . 1 . . . . 42 TYR HD1 . 11290 1 418 . 1 1 42 42 TYR HD2 H 1 7.182 0.030 . 1 . . . . 42 TYR HD2 . 11290 1 419 . 1 1 42 42 TYR HE1 H 1 6.719 0.030 . 1 . . . . 42 TYR HE1 . 11290 1 420 . 1 1 42 42 TYR HE2 H 1 6.719 0.030 . 1 . . . . 42 TYR HE2 . 11290 1 421 . 1 1 42 42 TYR C C 13 174.400 0.300 . 1 . . . . 42 TYR C . 11290 1 422 . 1 1 42 42 TYR CA C 13 56.821 0.300 . 1 . . . . 42 TYR CA . 11290 1 423 . 1 1 42 42 TYR CB C 13 43.094 0.300 . 1 . . . . 42 TYR CB . 11290 1 424 . 1 1 42 42 TYR CD1 C 13 133.903 0.300 . 1 . . . . 42 TYR CD1 . 11290 1 425 . 1 1 42 42 TYR CD2 C 13 133.903 0.300 . 1 . . . . 42 TYR CD2 . 11290 1 426 . 1 1 42 42 TYR CE1 C 13 117.976 0.300 . 1 . . . . 42 TYR CE1 . 11290 1 427 . 1 1 42 42 TYR CE2 C 13 117.976 0.300 . 1 . . . . 42 TYR CE2 . 11290 1 428 . 1 1 42 42 TYR N N 15 118.516 0.300 . 1 . . . . 42 TYR N . 11290 1 429 . 1 1 43 43 ILE H H 1 9.128 0.030 . 1 . . . . 43 ILE H . 11290 1 430 . 1 1 43 43 ILE HA H 1 5.157 0.030 . 1 . . . . 43 ILE HA . 11290 1 431 . 1 1 43 43 ILE HB H 1 1.649 0.030 . 1 . . . . 43 ILE HB . 11290 1 432 . 1 1 43 43 ILE HD11 H 1 0.583 0.030 . 1 . . . . 43 ILE HD1 . 11290 1 433 . 1 1 43 43 ILE HD12 H 1 0.583 0.030 . 1 . . . . 43 ILE HD1 . 11290 1 434 . 1 1 43 43 ILE HD13 H 1 0.583 0.030 . 1 . . . . 43 ILE HD1 . 11290 1 435 . 1 1 43 43 ILE HG12 H 1 1.678 0.030 . 2 . . . . 43 ILE HG12 . 11290 1 436 . 1 1 43 43 ILE HG13 H 1 0.983 0.030 . 2 . . . . 43 ILE HG13 . 11290 1 437 . 1 1 43 43 ILE HG21 H 1 0.915 0.030 . 1 . . . . 43 ILE HG2 . 11290 1 438 . 1 1 43 43 ILE HG22 H 1 0.915 0.030 . 1 . . . . 43 ILE HG2 . 11290 1 439 . 1 1 43 43 ILE HG23 H 1 0.915 0.030 . 1 . . . . 43 ILE HG2 . 11290 1 440 . 1 1 43 43 ILE C C 13 175.692 0.300 . 1 . . . . 43 ILE C . 11290 1 441 . 1 1 43 43 ILE CA C 13 59.412 0.300 . 1 . . . . 43 ILE CA . 11290 1 442 . 1 1 43 43 ILE CB C 13 41.919 0.300 . 1 . . . . 43 ILE CB . 11290 1 443 . 1 1 43 43 ILE CD1 C 13 13.987 0.300 . 1 . . . . 43 ILE CD1 . 11290 1 444 . 1 1 43 43 ILE CG1 C 13 27.770 0.300 . 1 . . . . 43 ILE CG1 . 11290 1 445 . 1 1 43 43 ILE CG2 C 13 17.963 0.300 . 1 . . . . 43 ILE CG2 . 11290 1 446 . 1 1 43 43 ILE N N 15 118.040 0.300 . 1 . . . . 43 ILE N . 11290 1 447 . 1 1 44 44 LEU H H 1 8.799 0.030 . 1 . . . . 44 LEU H . 11290 1 448 . 1 1 44 44 LEU HA H 1 4.853 0.030 . 1 . . . . 44 LEU HA . 11290 1 449 . 1 1 44 44 LEU HB2 H 1 1.958 0.030 . 2 . . . . 44 LEU HB2 . 11290 1 450 . 1 1 44 44 LEU HB3 H 1 0.844 0.030 . 2 . . . . 44 LEU HB3 . 11290 1 451 . 1 1 44 44 LEU HD11 H 1 0.767 0.030 . 1 . . . . 44 LEU HD1 . 11290 1 452 . 1 1 44 44 LEU HD12 H 1 0.767 0.030 . 1 . . . . 44 LEU HD1 . 11290 1 453 . 1 1 44 44 LEU HD13 H 1 0.767 0.030 . 1 . . . . 44 LEU HD1 . 11290 1 454 . 1 1 44 44 LEU HD21 H 1 1.049 0.030 . 1 . . . . 44 LEU HD2 . 11290 1 455 . 1 1 44 44 LEU HD22 H 1 1.049 0.030 . 1 . . . . 44 LEU HD2 . 11290 1 456 . 1 1 44 44 LEU HD23 H 1 1.049 0.030 . 1 . . . . 44 LEU HD2 . 11290 1 457 . 1 1 44 44 LEU HG H 1 1.518 0.030 . 1 . . . . 44 LEU HG . 11290 1 458 . 1 1 44 44 LEU C C 13 175.524 0.300 . 1 . . . . 44 LEU C . 11290 1 459 . 1 1 44 44 LEU CA C 13 52.936 0.300 . 1 . . . . 44 LEU CA . 11290 1 460 . 1 1 44 44 LEU CB C 13 44.967 0.300 . 1 . . . . 44 LEU CB . 11290 1 461 . 1 1 44 44 LEU CD1 C 13 22.601 0.300 . 2 . . . . 44 LEU CD1 . 11290 1 462 . 1 1 44 44 LEU CD2 C 13 26.400 0.300 . 2 . . . . 44 LEU CD2 . 11290 1 463 . 1 1 44 44 LEU CG C 13 28.053 0.300 . 1 . . . . 44 LEU CG . 11290 1 464 . 1 1 44 44 LEU N N 15 127.363 0.300 . 1 . . . . 44 LEU N . 11290 1 465 . 1 1 45 45 GLU H H 1 9.242 0.030 . 1 . . . . 45 GLU H . 11290 1 466 . 1 1 45 45 GLU HA H 1 5.217 0.030 . 1 . . . . 45 GLU HA . 11290 1 467 . 1 1 45 45 GLU HB2 H 1 1.916 0.030 . 2 . . . . 45 GLU HB2 . 11290 1 468 . 1 1 45 45 GLU HB3 H 1 1.809 0.030 . 2 . . . . 45 GLU HB3 . 11290 1 469 . 1 1 45 45 GLU HG2 H 1 2.117 0.030 . 2 . . . . 45 GLU HG2 . 11290 1 470 . 1 1 45 45 GLU HG3 H 1 1.625 0.030 . 2 . . . . 45 GLU HG3 . 11290 1 471 . 1 1 45 45 GLU C C 13 174.798 0.300 . 1 . . . . 45 GLU C . 11290 1 472 . 1 1 45 45 GLU CA C 13 55.175 0.300 . 1 . . . . 45 GLU CA . 11290 1 473 . 1 1 45 45 GLU CB C 13 33.916 0.300 . 1 . . . . 45 GLU CB . 11290 1 474 . 1 1 45 45 GLU CG C 13 37.065 0.300 . 1 . . . . 45 GLU CG . 11290 1 475 . 1 1 45 45 GLU N N 15 127.332 0.300 . 1 . . . . 45 GLU N . 11290 1 476 . 1 1 46 46 MET H H 1 8.966 0.030 . 1 . . . . 46 MET H . 11290 1 477 . 1 1 46 46 MET HA H 1 5.723 0.030 . 1 . . . . 46 MET HA . 11290 1 478 . 1 1 46 46 MET HB2 H 1 2.029 0.030 . 2 . . . . 46 MET HB2 . 11290 1 479 . 1 1 46 46 MET HB3 H 1 1.703 0.030 . 2 . . . . 46 MET HB3 . 11290 1 480 . 1 1 46 46 MET HE1 H 1 1.971 0.030 . 1 . . . . 46 MET HE . 11290 1 481 . 1 1 46 46 MET HE2 H 1 1.971 0.030 . 1 . . . . 46 MET HE . 11290 1 482 . 1 1 46 46 MET HE3 H 1 1.971 0.030 . 1 . . . . 46 MET HE . 11290 1 483 . 1 1 46 46 MET HG2 H 1 1.782 0.030 . 2 . . . . 46 MET HG2 . 11290 1 484 . 1 1 46 46 MET HG3 H 1 1.628 0.030 . 2 . . . . 46 MET HG3 . 11290 1 485 . 1 1 46 46 MET C C 13 174.873 0.300 . 1 . . . . 46 MET C . 11290 1 486 . 1 1 46 46 MET CA C 13 53.464 0.300 . 1 . . . . 46 MET CA . 11290 1 487 . 1 1 46 46 MET CB C 13 41.471 0.300 . 1 . . . . 46 MET CB . 11290 1 488 . 1 1 46 46 MET CE C 13 18.734 0.300 . 1 . . . . 46 MET CE . 11290 1 489 . 1 1 46 46 MET CG C 13 32.419 0.300 . 1 . . . . 46 MET CG . 11290 1 490 . 1 1 46 46 MET N N 15 121.022 0.300 . 1 . . . . 46 MET N . 11290 1 491 . 1 1 47 47 GLU H H 1 8.803 0.030 . 1 . . . . 47 GLU H . 11290 1 492 . 1 1 47 47 GLU HA H 1 4.226 0.030 . 1 . . . . 47 GLU HA . 11290 1 493 . 1 1 47 47 GLU HB2 H 1 0.944 0.030 . 2 . . . . 47 GLU HB2 . 11290 1 494 . 1 1 47 47 GLU HB3 H 1 -0.143 0.030 . 2 . . . . 47 GLU HB3 . 11290 1 495 . 1 1 47 47 GLU HG2 H 1 1.482 0.030 . 1 . . . . 47 GLU HG2 . 11290 1 496 . 1 1 47 47 GLU HG3 H 1 1.482 0.030 . 1 . . . . 47 GLU HG3 . 11290 1 497 . 1 1 47 47 GLU C C 13 174.329 0.300 . 1 . . . . 47 GLU C . 11290 1 498 . 1 1 47 47 GLU CA C 13 54.936 0.300 . 1 . . . . 47 GLU CA . 11290 1 499 . 1 1 47 47 GLU CB C 13 31.965 0.300 . 1 . . . . 47 GLU CB . 11290 1 500 . 1 1 47 47 GLU CG C 13 36.620 0.300 . 1 . . . . 47 GLU CG . 11290 1 501 . 1 1 47 47 GLU N N 15 130.445 0.300 . 1 . . . . 47 GLU N . 11290 1 502 . 1 1 48 48 GLU H H 1 8.691 0.030 . 1 . . . . 48 GLU H . 11290 1 503 . 1 1 48 48 GLU HA H 1 4.476 0.030 . 1 . . . . 48 GLU HA . 11290 1 504 . 1 1 48 48 GLU HB2 H 1 2.151 0.030 . 2 . . . . 48 GLU HB2 . 11290 1 505 . 1 1 48 48 GLU HB3 H 1 1.977 0.030 . 2 . . . . 48 GLU HB3 . 11290 1 506 . 1 1 48 48 GLU HG2 H 1 2.144 0.030 . 2 . . . . 48 GLU HG2 . 11290 1 507 . 1 1 48 48 GLU HG3 H 1 2.085 0.030 . 2 . . . . 48 GLU HG3 . 11290 1 508 . 1 1 48 48 GLU C C 13 176.462 0.300 . 1 . . . . 48 GLU C . 11290 1 509 . 1 1 48 48 GLU CA C 13 55.523 0.300 . 1 . . . . 48 GLU CA . 11290 1 510 . 1 1 48 48 GLU CB C 13 31.632 0.300 . 1 . . . . 48 GLU CB . 11290 1 511 . 1 1 48 48 GLU CG C 13 36.880 0.300 . 1 . . . . 48 GLU CG . 11290 1 512 . 1 1 48 48 GLU N N 15 128.636 0.300 . 1 . . . . 48 GLU N . 11290 1 513 . 1 1 49 49 GLU HA H 1 3.909 0.030 . 1 . . . . 49 GLU HA . 11290 1 514 . 1 1 49 49 GLU HB2 H 1 2.003 0.030 . 2 . . . . 49 GLU HB2 . 11290 1 515 . 1 1 49 49 GLU HB3 H 1 1.924 0.030 . 2 . . . . 49 GLU HB3 . 11290 1 516 . 1 1 49 49 GLU HG2 H 1 2.191 0.030 . 1 . . . . 49 GLU HG2 . 11290 1 517 . 1 1 49 49 GLU HG3 H 1 2.191 0.030 . 1 . . . . 49 GLU HG3 . 11290 1 518 . 1 1 49 49 GLU C C 13 177.256 0.300 . 1 . . . . 49 GLU C . 11290 1 519 . 1 1 49 49 GLU CA C 13 59.360 0.300 . 1 . . . . 49 GLU CA . 11290 1 520 . 1 1 49 49 GLU CB C 13 30.073 0.300 . 1 . . . . 49 GLU CB . 11290 1 521 . 1 1 49 49 GLU CG C 13 35.961 0.300 . 1 . . . . 49 GLU CG . 11290 1 522 . 1 1 50 50 THR H H 1 8.098 0.030 . 1 . . . . 50 THR H . 11290 1 523 . 1 1 50 50 THR HA H 1 4.138 0.030 . 1 . . . . 50 THR HA . 11290 1 524 . 1 1 50 50 THR HB H 1 4.300 0.030 . 1 . . . . 50 THR HB . 11290 1 525 . 1 1 50 50 THR HG21 H 1 1.196 0.030 . 1 . . . . 50 THR HG2 . 11290 1 526 . 1 1 50 50 THR HG22 H 1 1.196 0.030 . 1 . . . . 50 THR HG2 . 11290 1 527 . 1 1 50 50 THR HG23 H 1 1.196 0.030 . 1 . . . . 50 THR HG2 . 11290 1 528 . 1 1 50 50 THR C C 13 175.478 0.300 . 1 . . . . 50 THR C . 11290 1 529 . 1 1 50 50 THR CA C 13 63.306 0.300 . 1 . . . . 50 THR CA . 11290 1 530 . 1 1 50 50 THR CB C 13 68.905 0.300 . 1 . . . . 50 THR CB . 11290 1 531 . 1 1 50 50 THR CG2 C 13 22.118 0.300 . 1 . . . . 50 THR CG2 . 11290 1 532 . 1 1 50 50 THR N N 15 111.008 0.300 . 1 . . . . 50 THR N . 11290 1 533 . 1 1 51 51 SER H H 1 8.001 0.030 . 1 . . . . 51 SER H . 11290 1 534 . 1 1 51 51 SER HA H 1 4.250 0.030 . 1 . . . . 51 SER HA . 11290 1 535 . 1 1 51 51 SER HB2 H 1 3.847 0.030 . 2 . . . . 51 SER HB2 . 11290 1 536 . 1 1 51 51 SER HB3 H 1 3.780 0.030 . 2 . . . . 51 SER HB3 . 11290 1 537 . 1 1 51 51 SER C C 13 175.310 0.300 . 1 . . . . 51 SER C . 11290 1 538 . 1 1 51 51 SER CA C 13 59.272 0.300 . 1 . . . . 51 SER CA . 11290 1 539 . 1 1 51 51 SER CB C 13 63.990 0.300 . 1 . . . . 51 SER CB . 11290 1 540 . 1 1 51 51 SER N N 15 117.139 0.300 . 1 . . . . 51 SER N . 11290 1 541 . 1 1 52 52 GLY H H 1 7.922 0.030 . 1 . . . . 52 GLY H . 11290 1 542 . 1 1 52 52 GLY HA2 H 1 3.970 0.030 . 2 . . . . 52 GLY HA2 . 11290 1 543 . 1 1 52 52 GLY HA3 H 1 3.815 0.030 . 2 . . . . 52 GLY HA3 . 11290 1 544 . 1 1 52 52 GLY C C 13 174.418 0.300 . 1 . . . . 52 GLY C . 11290 1 545 . 1 1 52 52 GLY CA C 13 45.544 0.300 . 1 . . . . 52 GLY CA . 11290 1 546 . 1 1 52 52 GLY N N 15 109.891 0.300 . 1 . . . . 52 GLY N . 11290 1 547 . 1 1 53 53 TYR H H 1 8.021 0.030 . 1 . . . . 53 TYR H . 11290 1 548 . 1 1 53 53 TYR HA H 1 4.621 0.030 . 1 . . . . 53 TYR HA . 11290 1 549 . 1 1 53 53 TYR HB2 H 1 3.146 0.030 . 2 . . . . 53 TYR HB2 . 11290 1 550 . 1 1 53 53 TYR HB3 H 1 2.955 0.030 . 2 . . . . 53 TYR HB3 . 11290 1 551 . 1 1 53 53 TYR HD1 H 1 7.134 0.030 . 1 . . . . 53 TYR HD1 . 11290 1 552 . 1 1 53 53 TYR HD2 H 1 7.134 0.030 . 1 . . . . 53 TYR HD2 . 11290 1 553 . 1 1 53 53 TYR HE1 H 1 6.878 0.030 . 1 . . . . 53 TYR HE1 . 11290 1 554 . 1 1 53 53 TYR HE2 H 1 6.878 0.030 . 1 . . . . 53 TYR HE2 . 11290 1 555 . 1 1 53 53 TYR C C 13 176.660 0.300 . 1 . . . . 53 TYR C . 11290 1 556 . 1 1 53 53 TYR CA C 13 57.793 0.300 . 1 . . . . 53 TYR CA . 11290 1 557 . 1 1 53 53 TYR CB C 13 38.749 0.300 . 1 . . . . 53 TYR CB . 11290 1 558 . 1 1 53 53 TYR CD1 C 13 132.835 0.300 . 1 . . . . 53 TYR CD1 . 11290 1 559 . 1 1 53 53 TYR CD2 C 13 132.835 0.300 . 1 . . . . 53 TYR CD2 . 11290 1 560 . 1 1 53 53 TYR CE1 C 13 118.471 0.300 . 1 . . . . 53 TYR CE1 . 11290 1 561 . 1 1 53 53 TYR CE2 C 13 118.471 0.300 . 1 . . . . 53 TYR CE2 . 11290 1 562 . 1 1 53 53 TYR N N 15 118.406 0.300 . 1 . . . . 53 TYR N . 11290 1 563 . 1 1 54 54 GLY H H 1 8.783 0.030 . 1 . . . . 54 GLY H . 11290 1 564 . 1 1 54 54 GLY HA2 H 1 4.174 0.030 . 2 . . . . 54 GLY HA2 . 11290 1 565 . 1 1 54 54 GLY HA3 H 1 3.894 0.030 . 2 . . . . 54 GLY HA3 . 11290 1 566 . 1 1 54 54 GLY C C 13 173.539 0.300 . 1 . . . . 54 GLY C . 11290 1 567 . 1 1 54 54 GLY CA C 13 44.497 0.300 . 1 . . . . 54 GLY CA . 11290 1 568 . 1 1 54 54 GLY N N 15 109.625 0.300 . 1 . . . . 54 GLY N . 11290 1 569 . 1 1 55 55 PHE H H 1 8.598 0.030 . 1 . . . . 55 PHE H . 11290 1 570 . 1 1 55 55 PHE HA H 1 4.311 0.030 . 1 . . . . 55 PHE HA . 11290 1 571 . 1 1 55 55 PHE HB2 H 1 2.879 0.030 . 2 . . . . 55 PHE HB2 . 11290 1 572 . 1 1 55 55 PHE HB3 H 1 2.833 0.030 . 2 . . . . 55 PHE HB3 . 11290 1 573 . 1 1 55 55 PHE HD1 H 1 7.036 0.030 . 1 . . . . 55 PHE HD1 . 11290 1 574 . 1 1 55 55 PHE HD2 H 1 7.036 0.030 . 1 . . . . 55 PHE HD2 . 11290 1 575 . 1 1 55 55 PHE HE1 H 1 7.068 0.030 . 1 . . . . 55 PHE HE1 . 11290 1 576 . 1 1 55 55 PHE HE2 H 1 7.068 0.030 . 1 . . . . 55 PHE HE2 . 11290 1 577 . 1 1 55 55 PHE HZ H 1 7.079 0.030 . 1 . . . . 55 PHE HZ . 11290 1 578 . 1 1 55 55 PHE C C 13 177.272 0.300 . 1 . . . . 55 PHE C . 11290 1 579 . 1 1 55 55 PHE CA C 13 59.331 0.300 . 1 . . . . 55 PHE CA . 11290 1 580 . 1 1 55 55 PHE CB C 13 40.080 0.300 . 1 . . . . 55 PHE CB . 11290 1 581 . 1 1 55 55 PHE CD1 C 13 131.918 0.300 . 1 . . . . 55 PHE CD1 . 11290 1 582 . 1 1 55 55 PHE CD2 C 13 131.918 0.300 . 1 . . . . 55 PHE CD2 . 11290 1 583 . 1 1 55 55 PHE CE1 C 13 131.806 0.300 . 1 . . . . 55 PHE CE1 . 11290 1 584 . 1 1 55 55 PHE CE2 C 13 131.806 0.300 . 1 . . . . 55 PHE CE2 . 11290 1 585 . 1 1 55 55 PHE CZ C 13 130.075 0.300 . 1 . . . . 55 PHE CZ . 11290 1 586 . 1 1 55 55 PHE N N 15 119.194 0.300 . 1 . . . . 55 PHE N . 11290 1 587 . 1 1 56 56 LYS H H 1 8.737 0.030 . 1 . . . . 56 LYS H . 11290 1 588 . 1 1 56 56 LYS HA H 1 5.017 0.030 . 1 . . . . 56 LYS HA . 11290 1 589 . 1 1 56 56 LYS HB2 H 1 1.925 0.030 . 2 . . . . 56 LYS HB2 . 11290 1 590 . 1 1 56 56 LYS HB3 H 1 1.822 0.030 . 2 . . . . 56 LYS HB3 . 11290 1 591 . 1 1 56 56 LYS HD2 H 1 1.784 0.030 . 2 . . . . 56 LYS HD2 . 11290 1 592 . 1 1 56 56 LYS HD3 H 1 1.673 0.030 . 2 . . . . 56 LYS HD3 . 11290 1 593 . 1 1 56 56 LYS HE2 H 1 2.929 0.030 . 1 . . . . 56 LYS HE2 . 11290 1 594 . 1 1 56 56 LYS HE3 H 1 2.929 0.030 . 1 . . . . 56 LYS HE3 . 11290 1 595 . 1 1 56 56 LYS HG2 H 1 1.523 0.030 . 2 . . . . 56 LYS HG2 . 11290 1 596 . 1 1 56 56 LYS HG3 H 1 1.460 0.030 . 2 . . . . 56 LYS HG3 . 11290 1 597 . 1 1 56 56 LYS C C 13 174.617 0.300 . 1 . . . . 56 LYS C . 11290 1 598 . 1 1 56 56 LYS CA C 13 52.404 0.300 . 1 . . . . 56 LYS CA . 11290 1 599 . 1 1 56 56 LYS CB C 13 35.219 0.300 . 1 . . . . 56 LYS CB . 11290 1 600 . 1 1 56 56 LYS CD C 13 28.923 0.300 . 1 . . . . 56 LYS CD . 11290 1 601 . 1 1 56 56 LYS CE C 13 42.246 0.300 . 1 . . . . 56 LYS CE . 11290 1 602 . 1 1 56 56 LYS CG C 13 24.390 0.300 . 1 . . . . 56 LYS CG . 11290 1 603 . 1 1 56 56 LYS N N 15 121.774 0.300 . 1 . . . . 56 LYS N . 11290 1 604 . 1 1 57 57 PRO HA H 1 4.732 0.030 . 1 . . . . 57 PRO HA . 11290 1 605 . 1 1 57 57 PRO HB2 H 1 2.137 0.030 . 2 . . . . 57 PRO HB2 . 11290 1 606 . 1 1 57 57 PRO HB3 H 1 1.942 0.030 . 2 . . . . 57 PRO HB3 . 11290 1 607 . 1 1 57 57 PRO HD2 H 1 3.927 0.030 . 2 . . . . 57 PRO HD2 . 11290 1 608 . 1 1 57 57 PRO HD3 H 1 3.735 0.030 . 2 . . . . 57 PRO HD3 . 11290 1 609 . 1 1 57 57 PRO HG2 H 1 2.229 0.030 . 2 . . . . 57 PRO HG2 . 11290 1 610 . 1 1 57 57 PRO HG3 H 1 2.069 0.030 . 2 . . . . 57 PRO HG3 . 11290 1 611 . 1 1 57 57 PRO C C 13 177.416 0.300 . 1 . . . . 57 PRO C . 11290 1 612 . 1 1 57 57 PRO CA C 13 63.267 0.300 . 1 . . . . 57 PRO CA . 11290 1 613 . 1 1 57 57 PRO CB C 13 31.979 0.300 . 1 . . . . 57 PRO CB . 11290 1 614 . 1 1 57 57 PRO CD C 13 50.785 0.300 . 1 . . . . 57 PRO CD . 11290 1 615 . 1 1 57 57 PRO CG C 13 27.782 0.300 . 1 . . . . 57 PRO CG . 11290 1 616 . 1 1 58 58 LYS H H 1 9.630 0.030 . 1 . . . . 58 LYS H . 11290 1 617 . 1 1 58 58 LYS HA H 1 4.725 0.030 . 1 . . . . 58 LYS HA . 11290 1 618 . 1 1 58 58 LYS HB2 H 1 2.210 0.030 . 2 . . . . 58 LYS HB2 . 11290 1 619 . 1 1 58 58 LYS HB3 H 1 1.672 0.030 . 2 . . . . 58 LYS HB3 . 11290 1 620 . 1 1 58 58 LYS HD2 H 1 1.931 0.030 . 2 . . . . 58 LYS HD2 . 11290 1 621 . 1 1 58 58 LYS HD3 H 1 1.865 0.030 . 2 . . . . 58 LYS HD3 . 11290 1 622 . 1 1 58 58 LYS HE2 H 1 3.285 0.030 . 2 . . . . 58 LYS HE2 . 11290 1 623 . 1 1 58 58 LYS HE3 H 1 2.958 0.030 . 2 . . . . 58 LYS HE3 . 11290 1 624 . 1 1 58 58 LYS HG2 H 1 1.876 0.030 . 2 . . . . 58 LYS HG2 . 11290 1 625 . 1 1 58 58 LYS HG3 H 1 1.770 0.030 . 2 . . . . 58 LYS HG3 . 11290 1 626 . 1 1 58 58 LYS C C 13 174.921 0.300 . 1 . . . . 58 LYS C . 11290 1 627 . 1 1 58 58 LYS CA C 13 53.323 0.300 . 1 . . . . 58 LYS CA . 11290 1 628 . 1 1 58 58 LYS CB C 13 33.606 0.300 . 1 . . . . 58 LYS CB . 11290 1 629 . 1 1 58 58 LYS CD C 13 27.064 0.300 . 1 . . . . 58 LYS CD . 11290 1 630 . 1 1 58 58 LYS CE C 13 41.963 0.300 . 1 . . . . 58 LYS CE . 11290 1 631 . 1 1 58 58 LYS CG C 13 24.781 0.300 . 1 . . . . 58 LYS CG . 11290 1 632 . 1 1 58 58 LYS N N 15 121.578 0.300 . 1 . . . . 58 LYS N . 11290 1 633 . 1 1 59 59 TYR H H 1 7.412 0.030 . 1 . . . . 59 TYR H . 11290 1 634 . 1 1 59 59 TYR HA H 1 4.242 0.030 . 1 . . . . 59 TYR HA . 11290 1 635 . 1 1 59 59 TYR HB2 H 1 2.071 0.030 . 2 . . . . 59 TYR HB2 . 11290 1 636 . 1 1 59 59 TYR HB3 H 1 2.035 0.030 . 2 . . . . 59 TYR HB3 . 11290 1 637 . 1 1 59 59 TYR HD1 H 1 6.720 0.030 . 1 . . . . 59 TYR HD1 . 11290 1 638 . 1 1 59 59 TYR HD2 H 1 6.720 0.030 . 1 . . . . 59 TYR HD2 . 11290 1 639 . 1 1 59 59 TYR HE1 H 1 7.054 0.030 . 1 . . . . 59 TYR HE1 . 11290 1 640 . 1 1 59 59 TYR HE2 H 1 7.054 0.030 . 1 . . . . 59 TYR HE2 . 11290 1 641 . 1 1 59 59 TYR C C 13 171.954 0.300 . 1 . . . . 59 TYR C . 11290 1 642 . 1 1 59 59 TYR CA C 13 58.251 0.300 . 1 . . . . 59 TYR CA . 11290 1 643 . 1 1 59 59 TYR CB C 13 41.603 0.300 . 1 . . . . 59 TYR CB . 11290 1 644 . 1 1 59 59 TYR CD1 C 13 132.743 0.300 . 1 . . . . 59 TYR CD1 . 11290 1 645 . 1 1 59 59 TYR CD2 C 13 132.743 0.300 . 1 . . . . 59 TYR CD2 . 11290 1 646 . 1 1 59 59 TYR CE1 C 13 118.340 0.300 . 1 . . . . 59 TYR CE1 . 11290 1 647 . 1 1 59 59 TYR CE2 C 13 118.340 0.300 . 1 . . . . 59 TYR CE2 . 11290 1 648 . 1 1 59 59 TYR N N 15 117.665 0.300 . 1 . . . . 59 TYR N . 11290 1 649 . 1 1 60 60 ASP H H 1 6.897 0.030 . 1 . . . . 60 ASP H . 11290 1 650 . 1 1 60 60 ASP HA H 1 5.635 0.030 . 1 . . . . 60 ASP HA . 11290 1 651 . 1 1 60 60 ASP HB2 H 1 2.547 0.030 . 2 . . . . 60 ASP HB2 . 11290 1 652 . 1 1 60 60 ASP HB3 H 1 2.340 0.030 . 2 . . . . 60 ASP HB3 . 11290 1 653 . 1 1 60 60 ASP C C 13 175.701 0.300 . 1 . . . . 60 ASP C . 11290 1 654 . 1 1 60 60 ASP CA C 13 51.936 0.300 . 1 . . . . 60 ASP CA . 11290 1 655 . 1 1 60 60 ASP CB C 13 42.298 0.300 . 1 . . . . 60 ASP CB . 11290 1 656 . 1 1 60 60 ASP N N 15 127.509 0.300 . 1 . . . . 60 ASP N . 11290 1 657 . 1 1 61 61 GLY H H 1 8.978 0.030 . 1 . . . . 61 GLY H . 11290 1 658 . 1 1 61 61 GLY HA2 H 1 4.320 0.030 . 2 . . . . 61 GLY HA2 . 11290 1 659 . 1 1 61 61 GLY HA3 H 1 4.112 0.030 . 2 . . . . 61 GLY HA3 . 11290 1 660 . 1 1 61 61 GLY C C 13 172.987 0.300 . 1 . . . . 61 GLY C . 11290 1 661 . 1 1 61 61 GLY CA C 13 46.521 0.300 . 1 . . . . 61 GLY CA . 11290 1 662 . 1 1 61 61 GLY N N 15 114.675 0.300 . 1 . . . . 61 GLY N . 11290 1 663 . 1 1 62 62 GLU H H 1 8.731 0.030 . 1 . . . . 62 GLU H . 11290 1 664 . 1 1 62 62 GLU HA H 1 4.767 0.030 . 1 . . . . 62 GLU HA . 11290 1 665 . 1 1 62 62 GLU HB2 H 1 2.400 0.030 . 2 . . . . 62 GLU HB2 . 11290 1 666 . 1 1 62 62 GLU HB3 H 1 2.142 0.030 . 2 . . . . 62 GLU HB3 . 11290 1 667 . 1 1 62 62 GLU HG2 H 1 2.467 0.030 . 2 . . . . 62 GLU HG2 . 11290 1 668 . 1 1 62 62 GLU HG3 H 1 2.350 0.030 . 2 . . . . 62 GLU HG3 . 11290 1 669 . 1 1 62 62 GLU C C 13 177.169 0.300 . 1 . . . . 62 GLU C . 11290 1 670 . 1 1 62 62 GLU CA C 13 57.653 0.300 . 1 . . . . 62 GLU CA . 11290 1 671 . 1 1 62 62 GLU CB C 13 31.471 0.300 . 1 . . . . 62 GLU CB . 11290 1 672 . 1 1 62 62 GLU CG C 13 37.140 0.300 . 1 . . . . 62 GLU CG . 11290 1 673 . 1 1 62 62 GLU N N 15 117.066 0.300 . 1 . . . . 62 GLU N . 11290 1 674 . 1 1 63 63 ASP H H 1 8.812 0.030 . 1 . . . . 63 ASP H . 11290 1 675 . 1 1 63 63 ASP HA H 1 4.647 0.030 . 1 . . . . 63 ASP HA . 11290 1 676 . 1 1 63 63 ASP HB2 H 1 2.908 0.030 . 2 . . . . 63 ASP HB2 . 11290 1 677 . 1 1 63 63 ASP HB3 H 1 2.770 0.030 . 2 . . . . 63 ASP HB3 . 11290 1 678 . 1 1 63 63 ASP C C 13 172.632 0.300 . 1 . . . . 63 ASP C . 11290 1 679 . 1 1 63 63 ASP CA C 13 55.084 0.300 . 1 . . . . 63 ASP CA . 11290 1 680 . 1 1 63 63 ASP CB C 13 41.488 0.300 . 1 . . . . 63 ASP CB . 11290 1 681 . 1 1 63 63 ASP N N 15 121.073 0.300 . 1 . . . . 63 ASP N . 11290 1 682 . 1 1 64 64 LEU H H 1 7.397 0.030 . 1 . . . . 64 LEU H . 11290 1 683 . 1 1 64 64 LEU HA H 1 3.148 0.030 . 1 . . . . 64 LEU HA . 11290 1 684 . 1 1 64 64 LEU HB2 H 1 1.443 0.030 . 2 . . . . 64 LEU HB2 . 11290 1 685 . 1 1 64 64 LEU HB3 H 1 0.887 0.030 . 2 . . . . 64 LEU HB3 . 11290 1 686 . 1 1 64 64 LEU HD11 H 1 0.871 0.030 . 1 . . . . 64 LEU HD1 . 11290 1 687 . 1 1 64 64 LEU HD12 H 1 0.871 0.030 . 1 . . . . 64 LEU HD1 . 11290 1 688 . 1 1 64 64 LEU HD13 H 1 0.871 0.030 . 1 . . . . 64 LEU HD1 . 11290 1 689 . 1 1 64 64 LEU HD21 H 1 0.531 0.030 . 1 . . . . 64 LEU HD2 . 11290 1 690 . 1 1 64 64 LEU HD22 H 1 0.531 0.030 . 1 . . . . 64 LEU HD2 . 11290 1 691 . 1 1 64 64 LEU HD23 H 1 0.531 0.030 . 1 . . . . 64 LEU HD2 . 11290 1 692 . 1 1 64 64 LEU HG H 1 1.329 0.030 . 1 . . . . 64 LEU HG . 11290 1 693 . 1 1 64 64 LEU C C 13 174.015 0.300 . 1 . . . . 64 LEU C . 11290 1 694 . 1 1 64 64 LEU CA C 13 52.796 0.300 . 1 . . . . 64 LEU CA . 11290 1 695 . 1 1 64 64 LEU CB C 13 41.408 0.300 . 1 . . . . 64 LEU CB . 11290 1 696 . 1 1 64 64 LEU CD1 C 13 26.046 0.300 . 2 . . . . 64 LEU CD1 . 11290 1 697 . 1 1 64 64 LEU CD2 C 13 24.535 0.300 . 2 . . . . 64 LEU CD2 . 11290 1 698 . 1 1 64 64 LEU CG C 13 27.311 0.300 . 1 . . . . 64 LEU CG . 11290 1 699 . 1 1 64 64 LEU N N 15 113.953 0.300 . 1 . . . . 64 LEU N . 11290 1 700 . 1 1 65 65 ALA H H 1 6.293 0.030 . 1 . . . . 65 ALA H . 11290 1 701 . 1 1 65 65 ALA HA H 1 3.878 0.030 . 1 . . . . 65 ALA HA . 11290 1 702 . 1 1 65 65 ALA HB1 H 1 0.975 0.030 . 1 . . . . 65 ALA HB . 11290 1 703 . 1 1 65 65 ALA HB2 H 1 0.975 0.030 . 1 . . . . 65 ALA HB . 11290 1 704 . 1 1 65 65 ALA HB3 H 1 0.975 0.030 . 1 . . . . 65 ALA HB . 11290 1 705 . 1 1 65 65 ALA C C 13 175.538 0.300 . 1 . . . . 65 ALA C . 11290 1 706 . 1 1 65 65 ALA CA C 13 50.750 0.300 . 1 . . . . 65 ALA CA . 11290 1 707 . 1 1 65 65 ALA CB C 13 22.615 0.300 . 1 . . . . 65 ALA CB . 11290 1 708 . 1 1 65 65 ALA N N 15 117.624 0.300 . 1 . . . . 65 ALA N . 11290 1 709 . 1 1 66 66 TYR H H 1 7.936 0.030 . 1 . . . . 66 TYR H . 11290 1 710 . 1 1 66 66 TYR HA H 1 4.210 0.030 . 1 . . . . 66 TYR HA . 11290 1 711 . 1 1 66 66 TYR HB2 H 1 3.010 0.030 . 2 . . . . 66 TYR HB2 . 11290 1 712 . 1 1 66 66 TYR HB3 H 1 2.285 0.030 . 2 . . . . 66 TYR HB3 . 11290 1 713 . 1 1 66 66 TYR HD1 H 1 6.849 0.030 . 1 . . . . 66 TYR HD1 . 11290 1 714 . 1 1 66 66 TYR HD2 H 1 6.849 0.030 . 1 . . . . 66 TYR HD2 . 11290 1 715 . 1 1 66 66 TYR HE1 H 1 6.923 0.030 . 1 . . . . 66 TYR HE1 . 11290 1 716 . 1 1 66 66 TYR HE2 H 1 6.923 0.030 . 1 . . . . 66 TYR HE2 . 11290 1 717 . 1 1 66 66 TYR C C 13 173.286 0.300 . 1 . . . . 66 TYR C . 11290 1 718 . 1 1 66 66 TYR CA C 13 59.377 0.300 . 1 . . . . 66 TYR CA . 11290 1 719 . 1 1 66 66 TYR CB C 13 42.599 0.300 . 1 . . . . 66 TYR CB . 11290 1 720 . 1 1 66 66 TYR CD1 C 13 132.776 0.300 . 1 . . . . 66 TYR CD1 . 11290 1 721 . 1 1 66 66 TYR CD2 C 13 132.776 0.300 . 1 . . . . 66 TYR CD2 . 11290 1 722 . 1 1 66 66 TYR CE1 C 13 118.684 0.300 . 1 . . . . 66 TYR CE1 . 11290 1 723 . 1 1 66 66 TYR CE2 C 13 118.684 0.300 . 1 . . . . 66 TYR CE2 . 11290 1 724 . 1 1 66 66 TYR N N 15 117.355 0.300 . 1 . . . . 66 TYR N . 11290 1 725 . 1 1 67 67 THR H H 1 7.196 0.030 . 1 . . . . 67 THR H . 11290 1 726 . 1 1 67 67 THR HA H 1 4.981 0.030 . 1 . . . . 67 THR HA . 11290 1 727 . 1 1 67 67 THR HB H 1 3.573 0.030 . 1 . . . . 67 THR HB . 11290 1 728 . 1 1 67 67 THR HG21 H 1 0.816 0.030 . 1 . . . . 67 THR HG2 . 11290 1 729 . 1 1 67 67 THR HG22 H 1 0.816 0.030 . 1 . . . . 67 THR HG2 . 11290 1 730 . 1 1 67 67 THR HG23 H 1 0.816 0.030 . 1 . . . . 67 THR HG2 . 11290 1 731 . 1 1 67 67 THR C C 13 171.918 0.300 . 1 . . . . 67 THR C . 11290 1 732 . 1 1 67 67 THR CA C 13 61.384 0.300 . 1 . . . . 67 THR CA . 11290 1 733 . 1 1 67 67 THR CB C 13 69.440 0.300 . 1 . . . . 67 THR CB . 11290 1 734 . 1 1 67 67 THR CG2 C 13 21.251 0.300 . 1 . . . . 67 THR CG2 . 11290 1 735 . 1 1 67 67 THR N N 15 123.551 0.300 . 1 . . . . 67 THR N . 11290 1 736 . 1 1 68 68 VAL H H 1 8.826 0.030 . 1 . . . . 68 VAL H . 11290 1 737 . 1 1 68 68 VAL HA H 1 4.029 0.030 . 1 . . . . 68 VAL HA . 11290 1 738 . 1 1 68 68 VAL HB H 1 2.190 0.030 . 1 . . . . 68 VAL HB . 11290 1 739 . 1 1 68 68 VAL HG11 H 1 1.327 0.030 . 1 . . . . 68 VAL HG1 . 11290 1 740 . 1 1 68 68 VAL HG12 H 1 1.327 0.030 . 1 . . . . 68 VAL HG1 . 11290 1 741 . 1 1 68 68 VAL HG13 H 1 1.327 0.030 . 1 . . . . 68 VAL HG1 . 11290 1 742 . 1 1 68 68 VAL HG21 H 1 1.289 0.030 . 1 . . . . 68 VAL HG2 . 11290 1 743 . 1 1 68 68 VAL HG22 H 1 1.289 0.030 . 1 . . . . 68 VAL HG2 . 11290 1 744 . 1 1 68 68 VAL HG23 H 1 1.289 0.030 . 1 . . . . 68 VAL HG2 . 11290 1 745 . 1 1 68 68 VAL C C 13 174.768 0.300 . 1 . . . . 68 VAL C . 11290 1 746 . 1 1 68 68 VAL CA C 13 61.845 0.300 . 1 . . . . 68 VAL CA . 11290 1 747 . 1 1 68 68 VAL CB C 13 32.491 0.300 . 1 . . . . 68 VAL CB . 11290 1 748 . 1 1 68 68 VAL CG1 C 13 23.364 0.300 . 2 . . . . 68 VAL CG1 . 11290 1 749 . 1 1 68 68 VAL CG2 C 13 22.051 0.300 . 2 . . . . 68 VAL CG2 . 11290 1 750 . 1 1 68 68 VAL N N 15 127.680 0.300 . 1 . . . . 68 VAL N . 11290 1 751 . 1 1 69 69 LYS H H 1 8.285 0.030 . 1 . . . . 69 LYS H . 11290 1 752 . 1 1 69 69 LYS HA H 1 5.024 0.030 . 1 . . . . 69 LYS HA . 11290 1 753 . 1 1 69 69 LYS HB2 H 1 1.938 0.030 . 2 . . . . 69 LYS HB2 . 11290 1 754 . 1 1 69 69 LYS HB3 H 1 1.685 0.030 . 2 . . . . 69 LYS HB3 . 11290 1 755 . 1 1 69 69 LYS HD2 H 1 1.552 0.030 . 1 . . . . 69 LYS HD2 . 11290 1 756 . 1 1 69 69 LYS HD3 H 1 1.552 0.030 . 1 . . . . 69 LYS HD3 . 11290 1 757 . 1 1 69 69 LYS HE2 H 1 2.747 0.030 . 2 . . . . 69 LYS HE2 . 11290 1 758 . 1 1 69 69 LYS HE3 H 1 2.716 0.030 . 2 . . . . 69 LYS HE3 . 11290 1 759 . 1 1 69 69 LYS HG2 H 1 1.309 0.030 . 2 . . . . 69 LYS HG2 . 11290 1 760 . 1 1 69 69 LYS HG3 H 1 1.173 0.030 . 2 . . . . 69 LYS HG3 . 11290 1 761 . 1 1 69 69 LYS C C 13 175.298 0.300 . 1 . . . . 69 LYS C . 11290 1 762 . 1 1 69 69 LYS CA C 13 55.066 0.300 . 1 . . . . 69 LYS CA . 11290 1 763 . 1 1 69 69 LYS CB C 13 35.342 0.300 . 1 . . . . 69 LYS CB . 11290 1 764 . 1 1 69 69 LYS CD C 13 29.288 0.300 . 1 . . . . 69 LYS CD . 11290 1 765 . 1 1 69 69 LYS CE C 13 41.877 0.300 . 1 . . . . 69 LYS CE . 11290 1 766 . 1 1 69 69 LYS CG C 13 25.617 0.300 . 1 . . . . 69 LYS CG . 11290 1 767 . 1 1 69 69 LYS N N 15 124.908 0.300 . 1 . . . . 69 LYS N . 11290 1 768 . 1 1 70 70 ASN H H 1 9.090 0.030 . 1 . . . . 70 ASN H . 11290 1 769 . 1 1 70 70 ASN HA H 1 4.458 0.030 . 1 . . . . 70 ASN HA . 11290 1 770 . 1 1 70 70 ASN HB2 H 1 3.092 0.030 . 2 . . . . 70 ASN HB2 . 11290 1 771 . 1 1 70 70 ASN HB3 H 1 2.993 0.030 . 2 . . . . 70 ASN HB3 . 11290 1 772 . 1 1 70 70 ASN HD21 H 1 7.654 0.030 . 2 . . . . 70 ASN HD21 . 11290 1 773 . 1 1 70 70 ASN HD22 H 1 6.983 0.030 . 2 . . . . 70 ASN HD22 . 11290 1 774 . 1 1 70 70 ASN C C 13 175.147 0.300 . 1 . . . . 70 ASN C . 11290 1 775 . 1 1 70 70 ASN CA C 13 54.590 0.300 . 1 . . . . 70 ASN CA . 11290 1 776 . 1 1 70 70 ASN CB C 13 37.077 0.300 . 1 . . . . 70 ASN CB . 11290 1 777 . 1 1 70 70 ASN N N 15 113.095 0.300 . 1 . . . . 70 ASN N . 11290 1 778 . 1 1 70 70 ASN ND2 N 15 113.952 0.300 . 1 . . . . 70 ASN ND2 . 11290 1 779 . 1 1 71 71 LEU H H 1 8.641 0.030 . 1 . . . . 71 LEU H . 11290 1 780 . 1 1 71 71 LEU HA H 1 4.421 0.030 . 1 . . . . 71 LEU HA . 11290 1 781 . 1 1 71 71 LEU HB2 H 1 1.551 0.030 . 2 . . . . 71 LEU HB2 . 11290 1 782 . 1 1 71 71 LEU HB3 H 1 1.010 0.030 . 2 . . . . 71 LEU HB3 . 11290 1 783 . 1 1 71 71 LEU HD11 H 1 0.239 0.030 . 1 . . . . 71 LEU HD1 . 11290 1 784 . 1 1 71 71 LEU HD12 H 1 0.239 0.030 . 1 . . . . 71 LEU HD1 . 11290 1 785 . 1 1 71 71 LEU HD13 H 1 0.239 0.030 . 1 . . . . 71 LEU HD1 . 11290 1 786 . 1 1 71 71 LEU HD21 H 1 0.184 0.030 . 1 . . . . 71 LEU HD2 . 11290 1 787 . 1 1 71 71 LEU HD22 H 1 0.184 0.030 . 1 . . . . 71 LEU HD2 . 11290 1 788 . 1 1 71 71 LEU HD23 H 1 0.184 0.030 . 1 . . . . 71 LEU HD2 . 11290 1 789 . 1 1 71 71 LEU HG H 1 1.189 0.030 . 1 . . . . 71 LEU HG . 11290 1 790 . 1 1 71 71 LEU C C 13 175.157 0.300 . 1 . . . . 71 LEU C . 11290 1 791 . 1 1 71 71 LEU CA C 13 53.050 0.300 . 1 . . . . 71 LEU CA . 11290 1 792 . 1 1 71 71 LEU CB C 13 41.166 0.300 . 1 . . . . 71 LEU CB . 11290 1 793 . 1 1 71 71 LEU CD1 C 13 25.264 0.300 . 2 . . . . 71 LEU CD1 . 11290 1 794 . 1 1 71 71 LEU CD2 C 13 20.188 0.300 . 2 . . . . 71 LEU CD2 . 11290 1 795 . 1 1 71 71 LEU CG C 13 26.169 0.300 . 1 . . . . 71 LEU CG . 11290 1 796 . 1 1 71 71 LEU N N 15 117.779 0.300 . 1 . . . . 71 LEU N . 11290 1 797 . 1 1 72 72 ARG H H 1 8.234 0.030 . 1 . . . . 72 ARG H . 11290 1 798 . 1 1 72 72 ARG HA H 1 4.592 0.030 . 1 . . . . 72 ARG HA . 11290 1 799 . 1 1 72 72 ARG HB2 H 1 1.869 0.030 . 2 . . . . 72 ARG HB2 . 11290 1 800 . 1 1 72 72 ARG HB3 H 1 1.769 0.030 . 2 . . . . 72 ARG HB3 . 11290 1 801 . 1 1 72 72 ARG HD2 H 1 3.225 0.030 . 1 . . . . 72 ARG HD2 . 11290 1 802 . 1 1 72 72 ARG HD3 H 1 3.225 0.030 . 1 . . . . 72 ARG HD3 . 11290 1 803 . 1 1 72 72 ARG HG2 H 1 1.760 0.030 . 1 . . . . 72 ARG HG2 . 11290 1 804 . 1 1 72 72 ARG HG3 H 1 1.760 0.030 . 1 . . . . 72 ARG HG3 . 11290 1 805 . 1 1 72 72 ARG C C 13 175.942 0.300 . 1 . . . . 72 ARG C . 11290 1 806 . 1 1 72 72 ARG CA C 13 54.802 0.300 . 1 . . . . 72 ARG CA . 11290 1 807 . 1 1 72 72 ARG CB C 13 33.037 0.300 . 1 . . . . 72 ARG CB . 11290 1 808 . 1 1 72 72 ARG CD C 13 43.704 0.300 . 1 . . . . 72 ARG CD . 11290 1 809 . 1 1 72 72 ARG CG C 13 27.741 0.300 . 1 . . . . 72 ARG CG . 11290 1 810 . 1 1 72 72 ARG N N 15 119.076 0.300 . 1 . . . . 72 ARG N . 11290 1 811 . 1 1 73 73 ARG H H 1 8.319 0.030 . 1 . . . . 73 ARG H . 11290 1 812 . 1 1 73 73 ARG HA H 1 4.784 0.030 . 1 . . . . 73 ARG HA . 11290 1 813 . 1 1 73 73 ARG HB2 H 1 1.883 0.030 . 2 . . . . 73 ARG HB2 . 11290 1 814 . 1 1 73 73 ARG HB3 H 1 1.731 0.030 . 2 . . . . 73 ARG HB3 . 11290 1 815 . 1 1 73 73 ARG HD2 H 1 3.205 0.030 . 1 . . . . 73 ARG HD2 . 11290 1 816 . 1 1 73 73 ARG HD3 H 1 3.205 0.030 . 1 . . . . 73 ARG HD3 . 11290 1 817 . 1 1 73 73 ARG HG2 H 1 1.643 0.030 . 1 . . . . 73 ARG HG2 . 11290 1 818 . 1 1 73 73 ARG HG3 H 1 1.643 0.030 . 1 . . . . 73 ARG HG3 . 11290 1 819 . 1 1 73 73 ARG C C 13 176.614 0.300 . 1 . . . . 73 ARG C . 11290 1 820 . 1 1 73 73 ARG CA C 13 56.174 0.300 . 1 . . . . 73 ARG CA . 11290 1 821 . 1 1 73 73 ARG CB C 13 31.028 0.300 . 1 . . . . 73 ARG CB . 11290 1 822 . 1 1 73 73 ARG CD C 13 43.810 0.300 . 1 . . . . 73 ARG CD . 11290 1 823 . 1 1 73 73 ARG CG C 13 26.771 0.300 . 1 . . . . 73 ARG CG . 11290 1 824 . 1 1 73 73 ARG N N 15 122.110 0.300 . 1 . . . . 73 ARG N . 11290 1 825 . 1 1 74 74 SER H H 1 7.816 0.030 . 1 . . . . 74 SER H . 11290 1 826 . 1 1 74 74 SER HA H 1 3.757 0.030 . 1 . . . . 74 SER HA . 11290 1 827 . 1 1 74 74 SER HB2 H 1 3.956 0.030 . 2 . . . . 74 SER HB2 . 11290 1 828 . 1 1 74 74 SER HB3 H 1 3.590 0.030 . 2 . . . . 74 SER HB3 . 11290 1 829 . 1 1 74 74 SER C C 13 173.213 0.300 . 1 . . . . 74 SER C . 11290 1 830 . 1 1 74 74 SER CA C 13 58.093 0.300 . 1 . . . . 74 SER CA . 11290 1 831 . 1 1 74 74 SER CB C 13 63.109 0.300 . 1 . . . . 74 SER CB . 11290 1 832 . 1 1 74 74 SER N N 15 121.640 0.300 . 1 . . . . 74 SER N . 11290 1 833 . 1 1 75 75 THR H H 1 8.477 0.030 . 1 . . . . 75 THR H . 11290 1 834 . 1 1 75 75 THR HA H 1 4.448 0.030 . 1 . . . . 75 THR HA . 11290 1 835 . 1 1 75 75 THR HB H 1 3.955 0.030 . 1 . . . . 75 THR HB . 11290 1 836 . 1 1 75 75 THR HG21 H 1 0.777 0.030 . 1 . . . . 75 THR HG2 . 11290 1 837 . 1 1 75 75 THR HG22 H 1 0.777 0.030 . 1 . . . . 75 THR HG2 . 11290 1 838 . 1 1 75 75 THR HG23 H 1 0.777 0.030 . 1 . . . . 75 THR HG2 . 11290 1 839 . 1 1 75 75 THR C C 13 170.713 0.300 . 1 . . . . 75 THR C . 11290 1 840 . 1 1 75 75 THR CA C 13 62.581 0.300 . 1 . . . . 75 THR CA . 11290 1 841 . 1 1 75 75 THR CB C 13 71.551 0.300 . 1 . . . . 75 THR CB . 11290 1 842 . 1 1 75 75 THR CG2 C 13 20.112 0.300 . 1 . . . . 75 THR CG2 . 11290 1 843 . 1 1 75 75 THR N N 15 117.095 0.300 . 1 . . . . 75 THR N . 11290 1 844 . 1 1 76 76 LYS H H 1 8.077 0.030 . 1 . . . . 76 LYS H . 11290 1 845 . 1 1 76 76 LYS HA H 1 4.784 0.030 . 1 . . . . 76 LYS HA . 11290 1 846 . 1 1 76 76 LYS HB2 H 1 1.514 0.030 . 1 . . . . 76 LYS HB2 . 11290 1 847 . 1 1 76 76 LYS HB3 H 1 1.514 0.030 . 1 . . . . 76 LYS HB3 . 11290 1 848 . 1 1 76 76 LYS HD2 H 1 1.498 0.030 . 1 . . . . 76 LYS HD2 . 11290 1 849 . 1 1 76 76 LYS HD3 H 1 1.498 0.030 . 1 . . . . 76 LYS HD3 . 11290 1 850 . 1 1 76 76 LYS HE2 H 1 2.850 0.030 . 1 . . . . 76 LYS HE2 . 11290 1 851 . 1 1 76 76 LYS HE3 H 1 2.850 0.030 . 1 . . . . 76 LYS HE3 . 11290 1 852 . 1 1 76 76 LYS HG2 H 1 1.340 0.030 . 2 . . . . 76 LYS HG2 . 11290 1 853 . 1 1 76 76 LYS HG3 H 1 1.246 0.030 . 2 . . . . 76 LYS HG3 . 11290 1 854 . 1 1 76 76 LYS C C 13 175.256 0.300 . 1 . . . . 76 LYS C . 11290 1 855 . 1 1 76 76 LYS CA C 13 55.928 0.300 . 1 . . . . 76 LYS CA . 11290 1 856 . 1 1 76 76 LYS CB C 13 33.834 0.300 . 1 . . . . 76 LYS CB . 11290 1 857 . 1 1 76 76 LYS CD C 13 29.188 0.300 . 1 . . . . 76 LYS CD . 11290 1 858 . 1 1 76 76 LYS CE C 13 41.952 0.300 . 1 . . . . 76 LYS CE . 11290 1 859 . 1 1 76 76 LYS CG C 13 25.169 0.300 . 1 . . . . 76 LYS CG . 11290 1 860 . 1 1 76 76 LYS N N 15 125.348 0.300 . 1 . . . . 76 LYS N . 11290 1 861 . 1 1 77 77 TYR H H 1 9.286 0.030 . 1 . . . . 77 TYR H . 11290 1 862 . 1 1 77 77 TYR HA H 1 4.720 0.030 . 1 . . . . 77 TYR HA . 11290 1 863 . 1 1 77 77 TYR HB2 H 1 2.652 0.030 . 2 . . . . 77 TYR HB2 . 11290 1 864 . 1 1 77 77 TYR HB3 H 1 2.541 0.030 . 2 . . . . 77 TYR HB3 . 11290 1 865 . 1 1 77 77 TYR HD1 H 1 7.110 0.030 . 1 . . . . 77 TYR HD1 . 11290 1 866 . 1 1 77 77 TYR HD2 H 1 7.110 0.030 . 1 . . . . 77 TYR HD2 . 11290 1 867 . 1 1 77 77 TYR HE1 H 1 6.820 0.030 . 1 . . . . 77 TYR HE1 . 11290 1 868 . 1 1 77 77 TYR HE2 H 1 6.820 0.030 . 1 . . . . 77 TYR HE2 . 11290 1 869 . 1 1 77 77 TYR C C 13 173.729 0.300 . 1 . . . . 77 TYR C . 11290 1 870 . 1 1 77 77 TYR CA C 13 57.987 0.300 . 1 . . . . 77 TYR CA . 11290 1 871 . 1 1 77 77 TYR CB C 13 43.949 0.300 . 1 . . . . 77 TYR CB . 11290 1 872 . 1 1 77 77 TYR CD1 C 13 133.257 0.300 . 1 . . . . 77 TYR CD1 . 11290 1 873 . 1 1 77 77 TYR CD2 C 13 133.257 0.300 . 1 . . . . 77 TYR CD2 . 11290 1 874 . 1 1 77 77 TYR CE1 C 13 118.182 0.300 . 1 . . . . 77 TYR CE1 . 11290 1 875 . 1 1 77 77 TYR CE2 C 13 118.182 0.300 . 1 . . . . 77 TYR CE2 . 11290 1 876 . 1 1 77 77 TYR N N 15 123.707 0.300 . 1 . . . . 77 TYR N . 11290 1 877 . 1 1 78 78 LYS H H 1 8.406 0.030 . 1 . . . . 78 LYS H . 11290 1 878 . 1 1 78 78 LYS HA H 1 5.383 0.030 . 1 . . . . 78 LYS HA . 11290 1 879 . 1 1 78 78 LYS HB2 H 1 1.747 0.030 . 2 . . . . 78 LYS HB2 . 11290 1 880 . 1 1 78 78 LYS HB3 H 1 1.518 0.030 . 2 . . . . 78 LYS HB3 . 11290 1 881 . 1 1 78 78 LYS HD2 H 1 1.617 0.030 . 1 . . . . 78 LYS HD2 . 11290 1 882 . 1 1 78 78 LYS HD3 H 1 1.617 0.030 . 1 . . . . 78 LYS HD3 . 11290 1 883 . 1 1 78 78 LYS HE2 H 1 2.829 0.030 . 1 . . . . 78 LYS HE2 . 11290 1 884 . 1 1 78 78 LYS HE3 H 1 2.829 0.030 . 1 . . . . 78 LYS HE3 . 11290 1 885 . 1 1 78 78 LYS HG2 H 1 1.512 0.030 . 2 . . . . 78 LYS HG2 . 11290 1 886 . 1 1 78 78 LYS HG3 H 1 1.209 0.030 . 2 . . . . 78 LYS HG3 . 11290 1 887 . 1 1 78 78 LYS C C 13 176.182 0.300 . 1 . . . . 78 LYS C . 11290 1 888 . 1 1 78 78 LYS CA C 13 54.270 0.300 . 1 . . . . 78 LYS CA . 11290 1 889 . 1 1 78 78 LYS CB C 13 36.096 0.300 . 1 . . . . 78 LYS CB . 11290 1 890 . 1 1 78 78 LYS CD C 13 29.552 0.300 . 1 . . . . 78 LYS CD . 11290 1 891 . 1 1 78 78 LYS CE C 13 42.169 0.300 . 1 . . . . 78 LYS CE . 11290 1 892 . 1 1 78 78 LYS CG C 13 25.617 0.300 . 1 . . . . 78 LYS CG . 11290 1 893 . 1 1 78 78 LYS N N 15 119.754 0.300 . 1 . . . . 78 LYS N . 11290 1 894 . 1 1 79 79 PHE H H 1 9.353 0.030 . 1 . . . . 79 PHE H . 11290 1 895 . 1 1 79 79 PHE HA H 1 6.145 0.030 . 1 . . . . 79 PHE HA . 11290 1 896 . 1 1 79 79 PHE HB2 H 1 3.019 0.030 . 2 . . . . 79 PHE HB2 . 11290 1 897 . 1 1 79 79 PHE HB3 H 1 2.639 0.030 . 2 . . . . 79 PHE HB3 . 11290 1 898 . 1 1 79 79 PHE HD1 H 1 7.263 0.030 . 1 . . . . 79 PHE HD1 . 11290 1 899 . 1 1 79 79 PHE HD2 H 1 7.263 0.030 . 1 . . . . 79 PHE HD2 . 11290 1 900 . 1 1 79 79 PHE HE1 H 1 7.334 0.030 . 1 . . . . 79 PHE HE1 . 11290 1 901 . 1 1 79 79 PHE HE2 H 1 7.334 0.030 . 1 . . . . 79 PHE HE2 . 11290 1 902 . 1 1 79 79 PHE HZ H 1 7.117 0.030 . 1 . . . . 79 PHE HZ . 11290 1 903 . 1 1 79 79 PHE C C 13 174.702 0.300 . 1 . . . . 79 PHE C . 11290 1 904 . 1 1 79 79 PHE CA C 13 57.055 0.300 . 1 . . . . 79 PHE CA . 11290 1 905 . 1 1 79 79 PHE CB C 13 45.517 0.300 . 1 . . . . 79 PHE CB . 11290 1 906 . 1 1 79 79 PHE CD1 C 13 132.434 0.300 . 1 . . . . 79 PHE CD1 . 11290 1 907 . 1 1 79 79 PHE CD2 C 13 132.434 0.300 . 1 . . . . 79 PHE CD2 . 11290 1 908 . 1 1 79 79 PHE CE1 C 13 131.574 0.300 . 1 . . . . 79 PHE CE1 . 11290 1 909 . 1 1 79 79 PHE CE2 C 13 131.574 0.300 . 1 . . . . 79 PHE CE2 . 11290 1 910 . 1 1 79 79 PHE CZ C 13 129.183 0.300 . 1 . . . . 79 PHE CZ . 11290 1 911 . 1 1 79 79 PHE N N 15 116.097 0.300 . 1 . . . . 79 PHE N . 11290 1 912 . 1 1 80 80 LYS H H 1 8.602 0.030 . 1 . . . . 80 LYS H . 11290 1 913 . 1 1 80 80 LYS HA H 1 4.332 0.030 . 1 . . . . 80 LYS HA . 11290 1 914 . 1 1 80 80 LYS HB2 H 1 1.620 0.030 . 1 . . . . 80 LYS HB2 . 11290 1 915 . 1 1 80 80 LYS HB3 H 1 1.620 0.030 . 1 . . . . 80 LYS HB3 . 11290 1 916 . 1 1 80 80 LYS HD2 H 1 1.152 0.030 . 2 . . . . 80 LYS HD2 . 11290 1 917 . 1 1 80 80 LYS HD3 H 1 0.788 0.030 . 2 . . . . 80 LYS HD3 . 11290 1 918 . 1 1 80 80 LYS HE2 H 1 1.805 0.030 . 2 . . . . 80 LYS HE2 . 11290 1 919 . 1 1 80 80 LYS HE3 H 1 1.297 0.030 . 2 . . . . 80 LYS HE3 . 11290 1 920 . 1 1 80 80 LYS HG2 H 1 0.876 0.030 . 1 . . . . 80 LYS HG2 . 11290 1 921 . 1 1 80 80 LYS HG3 H 1 0.876 0.030 . 1 . . . . 80 LYS HG3 . 11290 1 922 . 1 1 80 80 LYS C C 13 172.938 0.300 . 1 . . . . 80 LYS C . 11290 1 923 . 1 1 80 80 LYS CA C 13 55.400 0.300 . 1 . . . . 80 LYS CA . 11290 1 924 . 1 1 80 80 LYS CB C 13 36.123 0.300 . 1 . . . . 80 LYS CB . 11290 1 925 . 1 1 80 80 LYS CD C 13 29.547 0.300 . 1 . . . . 80 LYS CD . 11290 1 926 . 1 1 80 80 LYS CE C 13 40.792 0.300 . 1 . . . . 80 LYS CE . 11290 1 927 . 1 1 80 80 LYS CG C 13 23.357 0.300 . 1 . . . . 80 LYS CG . 11290 1 928 . 1 1 80 80 LYS N N 15 113.531 0.300 . 1 . . . . 80 LYS N . 11290 1 929 . 1 1 81 81 VAL H H 1 8.471 0.030 . 1 . . . . 81 VAL H . 11290 1 930 . 1 1 81 81 VAL HA H 1 5.350 0.030 . 1 . . . . 81 VAL HA . 11290 1 931 . 1 1 81 81 VAL HB H 1 1.351 0.030 . 1 . . . . 81 VAL HB . 11290 1 932 . 1 1 81 81 VAL HG11 H 1 0.611 0.030 . 1 . . . . 81 VAL HG1 . 11290 1 933 . 1 1 81 81 VAL HG12 H 1 0.611 0.030 . 1 . . . . 81 VAL HG1 . 11290 1 934 . 1 1 81 81 VAL HG13 H 1 0.611 0.030 . 1 . . . . 81 VAL HG1 . 11290 1 935 . 1 1 81 81 VAL HG21 H 1 0.215 0.030 . 1 . . . . 81 VAL HG2 . 11290 1 936 . 1 1 81 81 VAL HG22 H 1 0.215 0.030 . 1 . . . . 81 VAL HG2 . 11290 1 937 . 1 1 81 81 VAL HG23 H 1 0.215 0.030 . 1 . . . . 81 VAL HG2 . 11290 1 938 . 1 1 81 81 VAL C C 13 172.879 0.300 . 1 . . . . 81 VAL C . 11290 1 939 . 1 1 81 81 VAL CA C 13 59.276 0.300 . 1 . . . . 81 VAL CA . 11290 1 940 . 1 1 81 81 VAL CB C 13 36.356 0.300 . 1 . . . . 81 VAL CB . 11290 1 941 . 1 1 81 81 VAL CG1 C 13 20.343 0.300 . 2 . . . . 81 VAL CG1 . 11290 1 942 . 1 1 81 81 VAL CG2 C 13 21.412 0.300 . 2 . . . . 81 VAL CG2 . 11290 1 943 . 1 1 81 81 VAL N N 15 119.423 0.300 . 1 . . . . 81 VAL N . 11290 1 944 . 1 1 82 82 ILE H H 1 8.980 0.030 . 1 . . . . 82 ILE H . 11290 1 945 . 1 1 82 82 ILE HA H 1 3.968 0.030 . 1 . . . . 82 ILE HA . 11290 1 946 . 1 1 82 82 ILE HB H 1 1.649 0.030 . 1 . . . . 82 ILE HB . 11290 1 947 . 1 1 82 82 ILE HD11 H 1 0.751 0.030 . 1 . . . . 82 ILE HD1 . 11290 1 948 . 1 1 82 82 ILE HD12 H 1 0.751 0.030 . 1 . . . . 82 ILE HD1 . 11290 1 949 . 1 1 82 82 ILE HD13 H 1 0.751 0.030 . 1 . . . . 82 ILE HD1 . 11290 1 950 . 1 1 82 82 ILE HG12 H 1 1.287 0.030 . 2 . . . . 82 ILE HG12 . 11290 1 951 . 1 1 82 82 ILE HG13 H 1 0.880 0.030 . 2 . . . . 82 ILE HG13 . 11290 1 952 . 1 1 82 82 ILE HG21 H 1 0.900 0.030 . 1 . . . . 82 ILE HG2 . 11290 1 953 . 1 1 82 82 ILE HG22 H 1 0.900 0.030 . 1 . . . . 82 ILE HG2 . 11290 1 954 . 1 1 82 82 ILE HG23 H 1 0.900 0.030 . 1 . . . . 82 ILE HG2 . 11290 1 955 . 1 1 82 82 ILE C C 13 174.337 0.300 . 1 . . . . 82 ILE C . 11290 1 956 . 1 1 82 82 ILE CA C 13 60.972 0.300 . 1 . . . . 82 ILE CA . 11290 1 957 . 1 1 82 82 ILE CB C 13 42.699 0.300 . 1 . . . . 82 ILE CB . 11290 1 958 . 1 1 82 82 ILE CD1 C 13 15.114 0.300 . 1 . . . . 82 ILE CD1 . 11290 1 959 . 1 1 82 82 ILE CG1 C 13 29.851 0.300 . 1 . . . . 82 ILE CG1 . 11290 1 960 . 1 1 82 82 ILE CG2 C 13 18.991 0.300 . 1 . . . . 82 ILE CG2 . 11290 1 961 . 1 1 82 82 ILE N N 15 127.641 0.300 . 1 . . . . 82 ILE N . 11290 1 962 . 1 1 83 83 ALA H H 1 8.494 0.030 . 1 . . . . 83 ALA H . 11290 1 963 . 1 1 83 83 ALA HA H 1 5.452 0.030 . 1 . . . . 83 ALA HA . 11290 1 964 . 1 1 83 83 ALA HB1 H 1 1.287 0.030 . 1 . . . . 83 ALA HB . 11290 1 965 . 1 1 83 83 ALA HB2 H 1 1.287 0.030 . 1 . . . . 83 ALA HB . 11290 1 966 . 1 1 83 83 ALA HB3 H 1 1.287 0.030 . 1 . . . . 83 ALA HB . 11290 1 967 . 1 1 83 83 ALA C C 13 175.721 0.300 . 1 . . . . 83 ALA C . 11290 1 968 . 1 1 83 83 ALA CA C 13 49.614 0.300 . 1 . . . . 83 ALA CA . 11290 1 969 . 1 1 83 83 ALA CB C 13 22.399 0.300 . 1 . . . . 83 ALA CB . 11290 1 970 . 1 1 83 83 ALA N N 15 128.240 0.300 . 1 . . . . 83 ALA N . 11290 1 971 . 1 1 84 84 TYR H H 1 9.470 0.030 . 1 . . . . 84 TYR H . 11290 1 972 . 1 1 84 84 TYR HA H 1 5.286 0.030 . 1 . . . . 84 TYR HA . 11290 1 973 . 1 1 84 84 TYR HB2 H 1 3.089 0.030 . 2 . . . . 84 TYR HB2 . 11290 1 974 . 1 1 84 84 TYR HB3 H 1 2.680 0.030 . 2 . . . . 84 TYR HB3 . 11290 1 975 . 1 1 84 84 TYR HD1 H 1 6.615 0.030 . 1 . . . . 84 TYR HD1 . 11290 1 976 . 1 1 84 84 TYR HD2 H 1 6.615 0.030 . 1 . . . . 84 TYR HD2 . 11290 1 977 . 1 1 84 84 TYR HE1 H 1 6.556 0.030 . 1 . . . . 84 TYR HE1 . 11290 1 978 . 1 1 84 84 TYR HE2 H 1 6.556 0.030 . 1 . . . . 84 TYR HE2 . 11290 1 979 . 1 1 84 84 TYR C C 13 171.796 0.300 . 1 . . . . 84 TYR C . 11290 1 980 . 1 1 84 84 TYR CA C 13 56.474 0.300 . 1 . . . . 84 TYR CA . 11290 1 981 . 1 1 84 84 TYR CB C 13 42.268 0.300 . 1 . . . . 84 TYR CB . 11290 1 982 . 1 1 84 84 TYR CD1 C 13 133.199 0.300 . 1 . . . . 84 TYR CD1 . 11290 1 983 . 1 1 84 84 TYR CD2 C 13 133.199 0.300 . 1 . . . . 84 TYR CD2 . 11290 1 984 . 1 1 84 84 TYR CE1 C 13 118.340 0.300 . 1 . . . . 84 TYR CE1 . 11290 1 985 . 1 1 84 84 TYR CE2 C 13 118.340 0.300 . 1 . . . . 84 TYR CE2 . 11290 1 986 . 1 1 84 84 TYR N N 15 118.464 0.300 . 1 . . . . 84 TYR N . 11290 1 987 . 1 1 85 85 ASN H H 1 8.669 0.030 . 1 . . . . 85 ASN H . 11290 1 988 . 1 1 85 85 ASN HA H 1 4.803 0.030 . 1 . . . . 85 ASN HA . 11290 1 989 . 1 1 85 85 ASN HB2 H 1 3.485 0.030 . 2 . . . . 85 ASN HB2 . 11290 1 990 . 1 1 85 85 ASN HB3 H 1 2.884 0.030 . 2 . . . . 85 ASN HB3 . 11290 1 991 . 1 1 85 85 ASN HD21 H 1 7.479 0.030 . 2 . . . . 85 ASN HD21 . 11290 1 992 . 1 1 85 85 ASN HD22 H 1 7.157 0.030 . 2 . . . . 85 ASN HD22 . 11290 1 993 . 1 1 85 85 ASN C C 13 176.380 0.300 . 1 . . . . 85 ASN C . 11290 1 994 . 1 1 85 85 ASN CA C 13 51.299 0.300 . 1 . . . . 85 ASN CA . 11290 1 995 . 1 1 85 85 ASN CB C 13 39.832 0.300 . 1 . . . . 85 ASN CB . 11290 1 996 . 1 1 85 85 ASN N N 15 119.092 0.300 . 1 . . . . 85 ASN N . 11290 1 997 . 1 1 85 85 ASN ND2 N 15 110.142 0.300 . 1 . . . . 85 ASN ND2 . 11290 1 998 . 1 1 86 86 SER H H 1 8.567 0.030 . 1 . . . . 86 SER H . 11290 1 999 . 1 1 86 86 SER HA H 1 4.213 0.030 . 1 . . . . 86 SER HA . 11290 1 1000 . 1 1 86 86 SER HB2 H 1 4.007 0.030 . 2 . . . . 86 SER HB2 . 11290 1 1001 . 1 1 86 86 SER HB3 H 1 3.944 0.030 . 2 . . . . 86 SER HB3 . 11290 1 1002 . 1 1 86 86 SER C C 13 175.344 0.300 . 1 . . . . 86 SER C . 11290 1 1003 . 1 1 86 86 SER CA C 13 61.349 0.300 . 1 . . . . 86 SER CA . 11290 1 1004 . 1 1 86 86 SER CB C 13 62.858 0.300 . 1 . . . . 86 SER CB . 11290 1 1005 . 1 1 86 86 SER N N 15 112.949 0.300 . 1 . . . . 86 SER N . 11290 1 1006 . 1 1 87 87 GLU H H 1 8.006 0.030 . 1 . . . . 87 GLU H . 11290 1 1007 . 1 1 87 87 GLU HA H 1 4.329 0.030 . 1 . . . . 87 GLU HA . 11290 1 1008 . 1 1 87 87 GLU HB2 H 1 2.064 0.030 . 2 . . . . 87 GLU HB2 . 11290 1 1009 . 1 1 87 87 GLU HB3 H 1 1.948 0.030 . 2 . . . . 87 GLU HB3 . 11290 1 1010 . 1 1 87 87 GLU HG2 H 1 2.211 0.030 . 2 . . . . 87 GLU HG2 . 11290 1 1011 . 1 1 87 87 GLU HG3 H 1 2.150 0.030 . 2 . . . . 87 GLU HG3 . 11290 1 1012 . 1 1 87 87 GLU C C 13 176.750 0.300 . 1 . . . . 87 GLU C . 11290 1 1013 . 1 1 87 87 GLU CA C 13 56.790 0.300 . 1 . . . . 87 GLU CA . 11290 1 1014 . 1 1 87 87 GLU CB C 13 30.448 0.300 . 1 . . . . 87 GLU CB . 11290 1 1015 . 1 1 87 87 GLU CG C 13 36.721 0.300 . 1 . . . . 87 GLU CG . 11290 1 1016 . 1 1 87 87 GLU N N 15 119.631 0.300 . 1 . . . . 87 GLU N . 11290 1 1017 . 1 1 88 88 GLY H H 1 7.781 0.030 . 1 . . . . 88 GLY H . 11290 1 1018 . 1 1 88 88 GLY HA2 H 1 4.274 0.030 . 2 . . . . 88 GLY HA2 . 11290 1 1019 . 1 1 88 88 GLY HA3 H 1 3.944 0.030 . 2 . . . . 88 GLY HA3 . 11290 1 1020 . 1 1 88 88 GLY C C 13 170.905 0.300 . 1 . . . . 88 GLY C . 11290 1 1021 . 1 1 88 88 GLY CA C 13 45.439 0.300 . 1 . . . . 88 GLY CA . 11290 1 1022 . 1 1 88 88 GLY N N 15 106.137 0.300 . 1 . . . . 88 GLY N . 11290 1 1023 . 1 1 89 89 LYS H H 1 8.218 0.030 . 1 . . . . 89 LYS H . 11290 1 1024 . 1 1 89 89 LYS HA H 1 4.866 0.030 . 1 . . . . 89 LYS HA . 11290 1 1025 . 1 1 89 89 LYS HB2 H 1 1.804 0.030 . 2 . . . . 89 LYS HB2 . 11290 1 1026 . 1 1 89 89 LYS HB3 H 1 1.659 0.030 . 2 . . . . 89 LYS HB3 . 11290 1 1027 . 1 1 89 89 LYS HD2 H 1 1.519 0.030 . 1 . . . . 89 LYS HD2 . 11290 1 1028 . 1 1 89 89 LYS HD3 H 1 1.519 0.030 . 1 . . . . 89 LYS HD3 . 11290 1 1029 . 1 1 89 89 LYS HE2 H 1 2.659 0.030 . 1 . . . . 89 LYS HE2 . 11290 1 1030 . 1 1 89 89 LYS HE3 H 1 2.659 0.030 . 1 . . . . 89 LYS HE3 . 11290 1 1031 . 1 1 89 89 LYS HG2 H 1 1.375 0.030 . 2 . . . . 89 LYS HG2 . 11290 1 1032 . 1 1 89 89 LYS HG3 H 1 1.302 0.030 . 2 . . . . 89 LYS HG3 . 11290 1 1033 . 1 1 89 89 LYS C C 13 176.603 0.300 . 1 . . . . 89 LYS C . 11290 1 1034 . 1 1 89 89 LYS CA C 13 54.854 0.300 . 1 . . . . 89 LYS CA . 11290 1 1035 . 1 1 89 89 LYS CB C 13 35.178 0.300 . 1 . . . . 89 LYS CB . 11290 1 1036 . 1 1 89 89 LYS CD C 13 29.535 0.300 . 1 . . . . 89 LYS CD . 11290 1 1037 . 1 1 89 89 LYS CE C 13 42.139 0.300 . 1 . . . . 89 LYS CE . 11290 1 1038 . 1 1 89 89 LYS CG C 13 25.257 0.300 . 1 . . . . 89 LYS CG . 11290 1 1039 . 1 1 89 89 LYS N N 15 117.724 0.300 . 1 . . . . 89 LYS N . 11290 1 1040 . 1 1 90 90 SER H H 1 9.487 0.030 . 1 . . . . 90 SER H . 11290 1 1041 . 1 1 90 90 SER HA H 1 4.475 0.030 . 1 . . . . 90 SER HA . 11290 1 1042 . 1 1 90 90 SER HB2 H 1 4.119 0.030 . 2 . . . . 90 SER HB2 . 11290 1 1043 . 1 1 90 90 SER HB3 H 1 3.652 0.030 . 2 . . . . 90 SER HB3 . 11290 1 1044 . 1 1 90 90 SER C C 13 174.780 0.300 . 1 . . . . 90 SER C . 11290 1 1045 . 1 1 90 90 SER CA C 13 58.219 0.300 . 1 . . . . 90 SER CA . 11290 1 1046 . 1 1 90 90 SER CB C 13 67.280 0.300 . 1 . . . . 90 SER CB . 11290 1 1047 . 1 1 90 90 SER N N 15 120.436 0.300 . 1 . . . . 90 SER N . 11290 1 1048 . 1 1 91 91 ASN H H 1 8.680 0.030 . 1 . . . . 91 ASN H . 11290 1 1049 . 1 1 91 91 ASN HA H 1 4.891 0.030 . 1 . . . . 91 ASN HA . 11290 1 1050 . 1 1 91 91 ASN HB2 H 1 2.910 0.030 . 2 . . . . 91 ASN HB2 . 11290 1 1051 . 1 1 91 91 ASN HB3 H 1 2.496 0.030 . 2 . . . . 91 ASN HB3 . 11290 1 1052 . 1 1 91 91 ASN HD21 H 1 7.627 0.030 . 2 . . . . 91 ASN HD21 . 11290 1 1053 . 1 1 91 91 ASN HD22 H 1 7.088 0.030 . 2 . . . . 91 ASN HD22 . 11290 1 1054 . 1 1 91 91 ASN C C 13 174.495 0.300 . 1 . . . . 91 ASN C . 11290 1 1055 . 1 1 91 91 ASN CA C 13 52.426 0.300 . 1 . . . . 91 ASN CA . 11290 1 1056 . 1 1 91 91 ASN CB C 13 37.825 0.300 . 1 . . . . 91 ASN CB . 11290 1 1057 . 1 1 91 91 ASN N N 15 118.423 0.300 . 1 . . . . 91 ASN N . 11290 1 1058 . 1 1 91 91 ASN ND2 N 15 113.191 0.300 . 1 . . . . 91 ASN ND2 . 11290 1 1059 . 1 1 92 92 PRO HA H 1 4.579 0.030 . 1 . . . . 92 PRO HA . 11290 1 1060 . 1 1 92 92 PRO HB2 H 1 1.926 0.030 . 2 . . . . 92 PRO HB2 . 11290 1 1061 . 1 1 92 92 PRO HB3 H 1 1.867 0.030 . 2 . . . . 92 PRO HB3 . 11290 1 1062 . 1 1 92 92 PRO HD2 H 1 3.798 0.030 . 2 . . . . 92 PRO HD2 . 11290 1 1063 . 1 1 92 92 PRO HD3 H 1 3.641 0.030 . 2 . . . . 92 PRO HD3 . 11290 1 1064 . 1 1 92 92 PRO HG2 H 1 2.029 0.030 . 2 . . . . 92 PRO HG2 . 11290 1 1065 . 1 1 92 92 PRO HG3 H 1 1.863 0.030 . 2 . . . . 92 PRO HG3 . 11290 1 1066 . 1 1 92 92 PRO C C 13 175.892 0.300 . 1 . . . . 92 PRO C . 11290 1 1067 . 1 1 92 92 PRO CA C 13 62.384 0.300 . 1 . . . . 92 PRO CA . 11290 1 1068 . 1 1 92 92 PRO CB C 13 32.201 0.300 . 1 . . . . 92 PRO CB . 11290 1 1069 . 1 1 92 92 PRO CD C 13 49.973 0.300 . 1 . . . . 92 PRO CD . 11290 1 1070 . 1 1 92 92 PRO CG C 13 27.155 0.300 . 1 . . . . 92 PRO CG . 11290 1 1071 . 1 1 93 93 SER H H 1 8.795 0.030 . 1 . . . . 93 SER H . 11290 1 1072 . 1 1 93 93 SER HA H 1 4.407 0.030 . 1 . . . . 93 SER HA . 11290 1 1073 . 1 1 93 93 SER HB2 H 1 4.168 0.030 . 2 . . . . 93 SER HB2 . 11290 1 1074 . 1 1 93 93 SER HB3 H 1 3.799 0.030 . 2 . . . . 93 SER HB3 . 11290 1 1075 . 1 1 93 93 SER C C 13 173.933 0.300 . 1 . . . . 93 SER C . 11290 1 1076 . 1 1 93 93 SER CA C 13 58.339 0.300 . 1 . . . . 93 SER CA . 11290 1 1077 . 1 1 93 93 SER CB C 13 66.767 0.300 . 1 . . . . 93 SER CB . 11290 1 1078 . 1 1 93 93 SER N N 15 113.061 0.300 . 1 . . . . 93 SER N . 11290 1 1079 . 1 1 94 94 GLU H H 1 8.740 0.030 . 1 . . . . 94 GLU H . 11290 1 1080 . 1 1 94 94 GLU HA H 1 4.198 0.030 . 1 . . . . 94 GLU HA . 11290 1 1081 . 1 1 94 94 GLU HB2 H 1 2.051 0.030 . 2 . . . . 94 GLU HB2 . 11290 1 1082 . 1 1 94 94 GLU HB3 H 1 1.932 0.030 . 2 . . . . 94 GLU HB3 . 11290 1 1083 . 1 1 94 94 GLU HG2 H 1 2.470 0.030 . 2 . . . . 94 GLU HG2 . 11290 1 1084 . 1 1 94 94 GLU HG3 H 1 2.369 0.030 . 2 . . . . 94 GLU HG3 . 11290 1 1085 . 1 1 94 94 GLU C C 13 178.254 0.300 . 1 . . . . 94 GLU C . 11290 1 1086 . 1 1 94 94 GLU CA C 13 57.336 0.300 . 1 . . . . 94 GLU CA . 11290 1 1087 . 1 1 94 94 GLU CB C 13 29.871 0.300 . 1 . . . . 94 GLU CB . 11290 1 1088 . 1 1 94 94 GLU CG C 13 36.513 0.300 . 1 . . . . 94 GLU CG . 11290 1 1089 . 1 1 94 94 GLU N N 15 118.754 0.300 . 1 . . . . 94 GLU N . 11290 1 1090 . 1 1 95 95 VAL H H 1 8.691 0.030 . 1 . . . . 95 VAL H . 11290 1 1091 . 1 1 95 95 VAL HA H 1 4.547 0.030 . 1 . . . . 95 VAL HA . 11290 1 1092 . 1 1 95 95 VAL HB H 1 1.980 0.030 . 1 . . . . 95 VAL HB . 11290 1 1093 . 1 1 95 95 VAL HG11 H 1 1.093 0.030 . 1 . . . . 95 VAL HG1 . 11290 1 1094 . 1 1 95 95 VAL HG12 H 1 1.093 0.030 . 1 . . . . 95 VAL HG1 . 11290 1 1095 . 1 1 95 95 VAL HG13 H 1 1.093 0.030 . 1 . . . . 95 VAL HG1 . 11290 1 1096 . 1 1 95 95 VAL HG21 H 1 1.007 0.030 . 1 . . . . 95 VAL HG2 . 11290 1 1097 . 1 1 95 95 VAL HG22 H 1 1.007 0.030 . 1 . . . . 95 VAL HG2 . 11290 1 1098 . 1 1 95 95 VAL HG23 H 1 1.007 0.030 . 1 . . . . 95 VAL HG2 . 11290 1 1099 . 1 1 95 95 VAL C C 13 176.221 0.300 . 1 . . . . 95 VAL C . 11290 1 1100 . 1 1 95 95 VAL CA C 13 62.581 0.300 . 1 . . . . 95 VAL CA . 11290 1 1101 . 1 1 95 95 VAL CB C 13 32.860 0.300 . 1 . . . . 95 VAL CB . 11290 1 1102 . 1 1 95 95 VAL CG1 C 13 22.615 0.300 . 2 . . . . 95 VAL CG1 . 11290 1 1103 . 1 1 95 95 VAL CG2 C 13 23.312 0.300 . 2 . . . . 95 VAL CG2 . 11290 1 1104 . 1 1 95 95 VAL N N 15 127.307 0.300 . 1 . . . . 95 VAL N . 11290 1 1105 . 1 1 96 96 VAL H H 1 8.635 0.030 . 1 . . . . 96 VAL H . 11290 1 1106 . 1 1 96 96 VAL HA H 1 4.677 0.030 . 1 . . . . 96 VAL HA . 11290 1 1107 . 1 1 96 96 VAL HB H 1 1.829 0.030 . 1 . . . . 96 VAL HB . 11290 1 1108 . 1 1 96 96 VAL HG11 H 1 1.050 0.030 . 1 . . . . 96 VAL HG1 . 11290 1 1109 . 1 1 96 96 VAL HG12 H 1 1.050 0.030 . 1 . . . . 96 VAL HG1 . 11290 1 1110 . 1 1 96 96 VAL HG13 H 1 1.050 0.030 . 1 . . . . 96 VAL HG1 . 11290 1 1111 . 1 1 96 96 VAL HG21 H 1 0.900 0.030 . 1 . . . . 96 VAL HG2 . 11290 1 1112 . 1 1 96 96 VAL HG22 H 1 0.900 0.030 . 1 . . . . 96 VAL HG2 . 11290 1 1113 . 1 1 96 96 VAL HG23 H 1 0.900 0.030 . 1 . . . . 96 VAL HG2 . 11290 1 1114 . 1 1 96 96 VAL C C 13 172.772 0.300 . 1 . . . . 96 VAL C . 11290 1 1115 . 1 1 96 96 VAL CA C 13 59.113 0.300 . 1 . . . . 96 VAL CA . 11290 1 1116 . 1 1 96 96 VAL CB C 13 35.470 0.300 . 1 . . . . 96 VAL CB . 11290 1 1117 . 1 1 96 96 VAL CG1 C 13 22.056 0.300 . 2 . . . . 96 VAL CG1 . 11290 1 1118 . 1 1 96 96 VAL CG2 C 13 20.302 0.300 . 2 . . . . 96 VAL CG2 . 11290 1 1119 . 1 1 96 96 VAL N N 15 121.996 0.300 . 1 . . . . 96 VAL N . 11290 1 1120 . 1 1 97 97 GLU H H 1 8.021 0.030 . 1 . . . . 97 GLU H . 11290 1 1121 . 1 1 97 97 GLU HA H 1 5.398 0.030 . 1 . . . . 97 GLU HA . 11290 1 1122 . 1 1 97 97 GLU HB2 H 1 1.860 0.030 . 2 . . . . 97 GLU HB2 . 11290 1 1123 . 1 1 97 97 GLU HB3 H 1 1.701 0.030 . 2 . . . . 97 GLU HB3 . 11290 1 1124 . 1 1 97 97 GLU HG2 H 1 1.952 0.030 . 1 . . . . 97 GLU HG2 . 11290 1 1125 . 1 1 97 97 GLU HG3 H 1 1.952 0.030 . 1 . . . . 97 GLU HG3 . 11290 1 1126 . 1 1 97 97 GLU C C 13 174.645 0.300 . 1 . . . . 97 GLU C . 11290 1 1127 . 1 1 97 97 GLU CA C 13 54.063 0.300 . 1 . . . . 97 GLU CA . 11290 1 1128 . 1 1 97 97 GLU CB C 13 33.819 0.300 . 1 . . . . 97 GLU CB . 11290 1 1129 . 1 1 97 97 GLU CG C 13 37.151 0.300 . 1 . . . . 97 GLU CG . 11290 1 1130 . 1 1 97 97 GLU N N 15 122.245 0.300 . 1 . . . . 97 GLU N . 11290 1 1131 . 1 1 98 98 PHE H H 1 9.185 0.030 . 1 . . . . 98 PHE H . 11290 1 1132 . 1 1 98 98 PHE HA H 1 5.505 0.030 . 1 . . . . 98 PHE HA . 11290 1 1133 . 1 1 98 98 PHE HB2 H 1 3.529 0.030 . 2 . . . . 98 PHE HB2 . 11290 1 1134 . 1 1 98 98 PHE HB3 H 1 2.813 0.030 . 2 . . . . 98 PHE HB3 . 11290 1 1135 . 1 1 98 98 PHE HD1 H 1 7.331 0.030 . 1 . . . . 98 PHE HD1 . 11290 1 1136 . 1 1 98 98 PHE HD2 H 1 7.331 0.030 . 1 . . . . 98 PHE HD2 . 11290 1 1137 . 1 1 98 98 PHE HE1 H 1 7.099 0.030 . 1 . . . . 98 PHE HE1 . 11290 1 1138 . 1 1 98 98 PHE HE2 H 1 7.099 0.030 . 1 . . . . 98 PHE HE2 . 11290 1 1139 . 1 1 98 98 PHE HZ H 1 7.372 0.030 . 1 . . . . 98 PHE HZ . 11290 1 1140 . 1 1 98 98 PHE C C 13 173.951 0.300 . 1 . . . . 98 PHE C . 11290 1 1141 . 1 1 98 98 PHE CA C 13 55.031 0.300 . 1 . . . . 98 PHE CA . 11290 1 1142 . 1 1 98 98 PHE CB C 13 44.805 0.300 . 1 . . . . 98 PHE CB . 11290 1 1143 . 1 1 98 98 PHE CD1 C 13 132.282 0.300 . 1 . . . . 98 PHE CD1 . 11290 1 1144 . 1 1 98 98 PHE CD2 C 13 132.282 0.300 . 1 . . . . 98 PHE CD2 . 11290 1 1145 . 1 1 98 98 PHE CE1 C 13 130.957 0.300 . 1 . . . . 98 PHE CE1 . 11290 1 1146 . 1 1 98 98 PHE CE2 C 13 130.957 0.300 . 1 . . . . 98 PHE CE2 . 11290 1 1147 . 1 1 98 98 PHE CZ C 13 130.877 0.300 . 1 . . . . 98 PHE CZ . 11290 1 1148 . 1 1 98 98 PHE N N 15 123.125 0.300 . 1 . . . . 98 PHE N . 11290 1 1149 . 1 1 99 99 THR H H 1 8.473 0.030 . 1 . . . . 99 THR H . 11290 1 1150 . 1 1 99 99 THR HA H 1 5.680 0.030 . 1 . . . . 99 THR HA . 11290 1 1151 . 1 1 99 99 THR HB H 1 3.835 0.030 . 1 . . . . 99 THR HB . 11290 1 1152 . 1 1 99 99 THR HG21 H 1 1.227 0.030 . 1 . . . . 99 THR HG2 . 11290 1 1153 . 1 1 99 99 THR HG22 H 1 1.227 0.030 . 1 . . . . 99 THR HG2 . 11290 1 1154 . 1 1 99 99 THR HG23 H 1 1.227 0.030 . 1 . . . . 99 THR HG2 . 11290 1 1155 . 1 1 99 99 THR C C 13 174.947 0.300 . 1 . . . . 99 THR C . 11290 1 1156 . 1 1 99 99 THR CA C 13 60.011 0.300 . 1 . . . . 99 THR CA . 11290 1 1157 . 1 1 99 99 THR CB C 13 70.983 0.300 . 1 . . . . 99 THR CB . 11290 1 1158 . 1 1 99 99 THR CG2 C 13 20.355 0.300 . 1 . . . . 99 THR CG2 . 11290 1 1159 . 1 1 99 99 THR N N 15 115.584 0.300 . 1 . . . . 99 THR N . 11290 1 1160 . 1 1 100 100 THR H H 1 8.720 0.030 . 1 . . . . 100 THR H . 11290 1 1161 . 1 1 100 100 THR HA H 1 4.307 0.030 . 1 . . . . 100 THR HA . 11290 1 1162 . 1 1 100 100 THR HB H 1 4.867 0.030 . 1 . . . . 100 THR HB . 11290 1 1163 . 1 1 100 100 THR HG21 H 1 1.142 0.030 . 1 . . . . 100 THR HG2 . 11290 1 1164 . 1 1 100 100 THR HG22 H 1 1.142 0.030 . 1 . . . . 100 THR HG2 . 11290 1 1165 . 1 1 100 100 THR HG23 H 1 1.142 0.030 . 1 . . . . 100 THR HG2 . 11290 1 1166 . 1 1 100 100 THR C C 13 175.848 0.300 . 1 . . . . 100 THR C . 11290 1 1167 . 1 1 100 100 THR CA C 13 61.331 0.300 . 1 . . . . 100 THR CA . 11290 1 1168 . 1 1 100 100 THR CB C 13 69.654 0.300 . 1 . . . . 100 THR CB . 11290 1 1169 . 1 1 100 100 THR CG2 C 13 24.730 0.300 . 1 . . . . 100 THR CG2 . 11290 1 1170 . 1 1 100 100 THR N N 15 115.417 0.300 . 1 . . . . 100 THR N . 11290 1 1171 . 1 1 101 101 CYS H H 1 7.856 0.030 . 1 . . . . 101 CYS H . 11290 1 1172 . 1 1 101 101 CYS HA H 1 4.422 0.030 . 1 . . . . 101 CYS HA . 11290 1 1173 . 1 1 101 101 CYS HB2 H 1 3.048 0.030 . 2 . . . . 101 CYS HB2 . 11290 1 1174 . 1 1 101 101 CYS HB3 H 1 2.228 0.030 . 2 . . . . 101 CYS HB3 . 11290 1 1175 . 1 1 101 101 CYS C C 13 172.456 0.300 . 1 . . . . 101 CYS C . 11290 1 1176 . 1 1 101 101 CYS CA C 13 58.198 0.300 . 1 . . . . 101 CYS CA . 11290 1 1177 . 1 1 101 101 CYS CB C 13 27.278 0.300 . 1 . . . . 101 CYS CB . 11290 1 1178 . 1 1 101 101 CYS N N 15 117.971 0.300 . 1 . . . . 101 CYS N . 11290 1 1179 . 1 1 102 102 PRO HA H 1 4.677 0.030 . 1 . . . . 102 PRO HA . 11290 1 1180 . 1 1 102 102 PRO HB2 H 1 2.186 0.030 . 2 . . . . 102 PRO HB2 . 11290 1 1181 . 1 1 102 102 PRO HB3 H 1 2.000 0.030 . 2 . . . . 102 PRO HB3 . 11290 1 1182 . 1 1 102 102 PRO HD2 H 1 3.781 0.030 . 2 . . . . 102 PRO HD2 . 11290 1 1183 . 1 1 102 102 PRO HD3 H 1 3.633 0.030 . 2 . . . . 102 PRO HD3 . 11290 1 1184 . 1 1 102 102 PRO HG2 H 1 1.984 0.030 . 1 . . . . 102 PRO HG2 . 11290 1 1185 . 1 1 102 102 PRO HG3 H 1 1.984 0.030 . 1 . . . . 102 PRO HG3 . 11290 1 1186 . 1 1 102 102 PRO C C 13 176.190 0.300 . 1 . . . . 102 PRO C . 11290 1 1187 . 1 1 102 102 PRO CA C 13 62.493 0.300 . 1 . . . . 102 PRO CA . 11290 1 1188 . 1 1 102 102 PRO CB C 13 32.254 0.300 . 1 . . . . 102 PRO CB . 11290 1 1189 . 1 1 102 102 PRO CD C 13 50.015 0.300 . 1 . . . . 102 PRO CD . 11290 1 1190 . 1 1 102 102 PRO CG C 13 27.245 0.300 . 1 . . . . 102 PRO CG . 11290 1 1191 . 1 1 103 103 ASP H H 1 8.147 0.030 . 1 . . . . 103 ASP H . 11290 1 1192 . 1 1 103 103 ASP HA H 1 4.623 0.030 . 1 . . . . 103 ASP HA . 11290 1 1193 . 1 1 103 103 ASP HB2 H 1 2.707 0.030 . 2 . . . . 103 ASP HB2 . 11290 1 1194 . 1 1 103 103 ASP HB3 H 1 2.653 0.030 . 2 . . . . 103 ASP HB3 . 11290 1 1195 . 1 1 103 103 ASP C C 13 176.073 0.300 . 1 . . . . 103 ASP C . 11290 1 1196 . 1 1 103 103 ASP CA C 13 54.021 0.300 . 1 . . . . 103 ASP CA . 11290 1 1197 . 1 1 103 103 ASP CB C 13 41.899 0.300 . 1 . . . . 103 ASP CB . 11290 1 1198 . 1 1 103 103 ASP N N 15 117.658 0.300 . 1 . . . . 103 ASP N . 11290 1 stop_ save_