data_11253 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11253 _Entry.Title ; Solution Structure of the Ubiquitin-like Domain from Mouse Hypothetical 1700011N24Rik Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-17 _Entry.Original_release_date 2011-08-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Zhao . . . 11253 2 T. Kigawa . . . 11253 3 T. Tomizawa . . . 11253 4 S. Koshiba . . . 11253 5 M. Inoue . . . 11253 6 S. Yokoyama . . . 11253 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)' . 11253 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11253 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 11253 '15N chemical shifts' 95 11253 '1H chemical shifts' 643 11253 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 . . 2011-08-17 2010-08-09 original author . 11253 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V5O 'BMRB Entry Tracking System' 11253 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11253 _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 Ubiquitin-like Domain from Mouse Hypothetical 1700011N24Rik Protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Zhao . . . 11253 1 2 T. Kigawa . . . 11253 1 3 T. Tomizawa . . . 11253 1 4 S. Koshiba . . . 11253 1 5 M. Inoue . . . 11253 1 6 S. Yokoyama . . . 11253 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11253 _Assembly.ID 1 _Assembly.Name '1700011N24Rik protein' _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 'Ubiquitin-like Domain' 1 $entity_1 A . yes native no no . . . 11253 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 1v5o . . . . . . 11253 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11253 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ubiquitin-like Domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMLITVYCVRRDLT EVTFSLQVNPDFELSNFRVL CELESGVPAEEAQIVYMEQL LTDDHCSLGSYGLKDGDMVV LLQKDNVGLRTPGRTPSGPS SG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _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 1V5O . "Solution Structure Of The Ubiquitin-Like Domain From Mouse Hypothetical 1700011n24rik Protein" . . . . . 100.00 102 100.00 100.00 1.51e-66 . . . . 11253 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ubiquitin-like Domain' . 11253 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 . 11253 1 2 . SER . 11253 1 3 . SER . 11253 1 4 . GLY . 11253 1 5 . SER . 11253 1 6 . SER . 11253 1 7 . GLY . 11253 1 8 . MET . 11253 1 9 . LEU . 11253 1 10 . ILE . 11253 1 11 . THR . 11253 1 12 . VAL . 11253 1 13 . TYR . 11253 1 14 . CYS . 11253 1 15 . VAL . 11253 1 16 . ARG . 11253 1 17 . ARG . 11253 1 18 . ASP . 11253 1 19 . LEU . 11253 1 20 . THR . 11253 1 21 . GLU . 11253 1 22 . VAL . 11253 1 23 . THR . 11253 1 24 . PHE . 11253 1 25 . SER . 11253 1 26 . LEU . 11253 1 27 . GLN . 11253 1 28 . VAL . 11253 1 29 . ASN . 11253 1 30 . PRO . 11253 1 31 . ASP . 11253 1 32 . PHE . 11253 1 33 . GLU . 11253 1 34 . LEU . 11253 1 35 . SER . 11253 1 36 . ASN . 11253 1 37 . PHE . 11253 1 38 . ARG . 11253 1 39 . VAL . 11253 1 40 . LEU . 11253 1 41 . CYS . 11253 1 42 . GLU . 11253 1 43 . LEU . 11253 1 44 . GLU . 11253 1 45 . SER . 11253 1 46 . GLY . 11253 1 47 . VAL . 11253 1 48 . PRO . 11253 1 49 . ALA . 11253 1 50 . GLU . 11253 1 51 . GLU . 11253 1 52 . ALA . 11253 1 53 . GLN . 11253 1 54 . ILE . 11253 1 55 . VAL . 11253 1 56 . TYR . 11253 1 57 . MET . 11253 1 58 . GLU . 11253 1 59 . GLN . 11253 1 60 . LEU . 11253 1 61 . LEU . 11253 1 62 . THR . 11253 1 63 . ASP . 11253 1 64 . ASP . 11253 1 65 . HIS . 11253 1 66 . CYS . 11253 1 67 . SER . 11253 1 68 . LEU . 11253 1 69 . GLY . 11253 1 70 . SER . 11253 1 71 . TYR . 11253 1 72 . GLY . 11253 1 73 . LEU . 11253 1 74 . LYS . 11253 1 75 . ASP . 11253 1 76 . GLY . 11253 1 77 . ASP . 11253 1 78 . MET . 11253 1 79 . VAL . 11253 1 80 . VAL . 11253 1 81 . LEU . 11253 1 82 . LEU . 11253 1 83 . GLN . 11253 1 84 . LYS . 11253 1 85 . ASP . 11253 1 86 . ASN . 11253 1 87 . VAL . 11253 1 88 . GLY . 11253 1 89 . LEU . 11253 1 90 . ARG . 11253 1 91 . THR . 11253 1 92 . PRO . 11253 1 93 . GLY . 11253 1 94 . ARG . 11253 1 95 . THR . 11253 1 96 . PRO . 11253 1 97 . SER . 11253 1 98 . GLY . 11253 1 99 . PRO . 11253 1 100 . SER . 11253 1 101 . SER . 11253 1 102 . GLY . 11253 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 11253 1 . SER 2 2 11253 1 . SER 3 3 11253 1 . GLY 4 4 11253 1 . SER 5 5 11253 1 . SER 6 6 11253 1 . GLY 7 7 11253 1 . MET 8 8 11253 1 . LEU 9 9 11253 1 . ILE 10 10 11253 1 . THR 11 11 11253 1 . VAL 12 12 11253 1 . TYR 13 13 11253 1 . CYS 14 14 11253 1 . VAL 15 15 11253 1 . ARG 16 16 11253 1 . ARG 17 17 11253 1 . ASP 18 18 11253 1 . LEU 19 19 11253 1 . THR 20 20 11253 1 . GLU 21 21 11253 1 . VAL 22 22 11253 1 . THR 23 23 11253 1 . PHE 24 24 11253 1 . SER 25 25 11253 1 . LEU 26 26 11253 1 . GLN 27 27 11253 1 . VAL 28 28 11253 1 . ASN 29 29 11253 1 . PRO 30 30 11253 1 . ASP 31 31 11253 1 . PHE 32 32 11253 1 . GLU 33 33 11253 1 . LEU 34 34 11253 1 . SER 35 35 11253 1 . ASN 36 36 11253 1 . PHE 37 37 11253 1 . ARG 38 38 11253 1 . VAL 39 39 11253 1 . LEU 40 40 11253 1 . CYS 41 41 11253 1 . GLU 42 42 11253 1 . LEU 43 43 11253 1 . GLU 44 44 11253 1 . SER 45 45 11253 1 . GLY 46 46 11253 1 . VAL 47 47 11253 1 . PRO 48 48 11253 1 . ALA 49 49 11253 1 . GLU 50 50 11253 1 . GLU 51 51 11253 1 . ALA 52 52 11253 1 . GLN 53 53 11253 1 . ILE 54 54 11253 1 . VAL 55 55 11253 1 . TYR 56 56 11253 1 . MET 57 57 11253 1 . GLU 58 58 11253 1 . GLN 59 59 11253 1 . LEU 60 60 11253 1 . LEU 61 61 11253 1 . THR 62 62 11253 1 . ASP 63 63 11253 1 . ASP 64 64 11253 1 . HIS 65 65 11253 1 . CYS 66 66 11253 1 . SER 67 67 11253 1 . LEU 68 68 11253 1 . GLY 69 69 11253 1 . SER 70 70 11253 1 . TYR 71 71 11253 1 . GLY 72 72 11253 1 . LEU 73 73 11253 1 . LYS 74 74 11253 1 . ASP 75 75 11253 1 . GLY 76 76 11253 1 . ASP 77 77 11253 1 . MET 78 78 11253 1 . VAL 79 79 11253 1 . VAL 80 80 11253 1 . LEU 81 81 11253 1 . LEU 82 82 11253 1 . GLN 83 83 11253 1 . LYS 84 84 11253 1 . ASP 85 85 11253 1 . ASN 86 86 11253 1 . VAL 87 87 11253 1 . GLY 88 88 11253 1 . LEU 89 89 11253 1 . ARG 90 90 11253 1 . THR 91 91 11253 1 . PRO 92 92 11253 1 . GLY 93 93 11253 1 . ARG 94 94 11253 1 . THR 95 95 11253 1 . PRO 96 96 11253 1 . SER 97 97 11253 1 . GLY 98 98 11253 1 . PRO 99 99 11253 1 . SER 100 100 11253 1 . SER 101 101 11253 1 . GLY 102 102 11253 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 11253 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11253 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 11253 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P030414-59 . . . . . . 11253 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11253 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.17mM Protein U-15N, {13C;} 20mM Phosphate Na {(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% {H2O;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ubiquitin-like Domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.17 . . mM . . . . 11253 1 2 'Phosphate Na' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11253 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11253 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11253 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11253 1 6 H2O . . . . . . solvent 90 . . % . . . . 11253 1 7 D2O . . . . . . solvent 10 . . % . . . . 11253 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 11253 _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 11253 1 pH 6.0 0.05 pH 11253 1 pressure 1 0.001 atm 11253 1 temperature 298.0 0.1 K 11253 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11253 _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 . . 11253 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11253 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11253 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11253 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11253 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11253 _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.' . . 11253 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11253 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11253 _Software.ID 4 _Software.Name Kujira _Software.Version 0.860 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11253 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11253 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11253 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11253 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11253 5 'structure solution' 11253 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 11253 _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 11253 _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 . . . 11253 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 11253 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11253 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11253 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 11253 _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 . . . . . . . . . 11253 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11253 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11253 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 11253 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11253 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11253 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 . . 11253 1 2 $NMRPipe . . 11253 1 3 $NMRView . . 11253 1 4 $Kujira . . 11253 1 5 $CYANA . . 11253 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.493 0.030 . 1 . . . . 6 SER HA . 11253 1 2 . 1 1 6 6 SER HB2 H 1 3.852 0.030 . 1 . . . . 6 SER HB2 . 11253 1 3 . 1 1 6 6 SER HB3 H 1 3.852 0.030 . 1 . . . . 6 SER HB3 . 11253 1 4 . 1 1 6 6 SER C C 13 174.287 0.300 . 1 . . . . 6 SER C . 11253 1 5 . 1 1 6 6 SER CA C 13 58.423 0.300 . 1 . . . . 6 SER CA . 11253 1 6 . 1 1 6 6 SER CB C 13 64.012 0.300 . 1 . . . . 6 SER CB . 11253 1 7 . 1 1 7 7 GLY H H 1 8.205 0.030 . 1 . . . . 7 GLY H . 11253 1 8 . 1 1 7 7 GLY HA2 H 1 4.015 0.030 . 2 . . . . 7 GLY HA2 . 11253 1 9 . 1 1 7 7 GLY HA3 H 1 3.840 0.030 . 2 . . . . 7 GLY HA3 . 11253 1 10 . 1 1 7 7 GLY C C 13 172.622 0.300 . 1 . . . . 7 GLY C . 11253 1 11 . 1 1 7 7 GLY CA C 13 45.201 0.300 . 1 . . . . 7 GLY CA . 11253 1 12 . 1 1 7 7 GLY N N 15 109.450 0.300 . 1 . . . . 7 GLY N . 11253 1 13 . 1 1 8 8 MET H H 1 8.624 0.030 . 1 . . . . 8 MET H . 11253 1 14 . 1 1 8 8 MET HA H 1 4.572 0.030 . 1 . . . . 8 MET HA . 11253 1 15 . 1 1 8 8 MET HB2 H 1 1.820 0.030 . 2 . . . . 8 MET HB2 . 11253 1 16 . 1 1 8 8 MET HB3 H 1 1.743 0.030 . 2 . . . . 8 MET HB3 . 11253 1 17 . 1 1 8 8 MET HE1 H 1 1.527 0.030 . 1 . . . . 8 MET HE . 11253 1 18 . 1 1 8 8 MET HE2 H 1 1.527 0.030 . 1 . . . . 8 MET HE . 11253 1 19 . 1 1 8 8 MET HE3 H 1 1.527 0.030 . 1 . . . . 8 MET HE . 11253 1 20 . 1 1 8 8 MET HG2 H 1 2.284 0.030 . 2 . . . . 8 MET HG2 . 11253 1 21 . 1 1 8 8 MET HG3 H 1 2.160 0.030 . 2 . . . . 8 MET HG3 . 11253 1 22 . 1 1 8 8 MET C C 13 172.491 0.300 . 1 . . . . 8 MET C . 11253 1 23 . 1 1 8 8 MET CA C 13 54.559 0.300 . 1 . . . . 8 MET CA . 11253 1 24 . 1 1 8 8 MET CB C 13 35.079 0.300 . 1 . . . . 8 MET CB . 11253 1 25 . 1 1 8 8 MET CE C 13 17.770 0.300 . 1 . . . . 8 MET CE . 11253 1 26 . 1 1 8 8 MET CG C 13 31.380 0.300 . 1 . . . . 8 MET CG . 11253 1 27 . 1 1 8 8 MET N N 15 119.859 0.300 . 1 . . . . 8 MET N . 11253 1 28 . 1 1 9 9 LEU H H 1 9.328 0.030 . 1 . . . . 9 LEU H . 11253 1 29 . 1 1 9 9 LEU HA H 1 4.941 0.030 . 1 . . . . 9 LEU HA . 11253 1 30 . 1 1 9 9 LEU HB2 H 1 1.469 0.030 . 2 . . . . 9 LEU HB2 . 11253 1 31 . 1 1 9 9 LEU HB3 H 1 1.834 0.030 . 2 . . . . 9 LEU HB3 . 11253 1 32 . 1 1 9 9 LEU HD11 H 1 0.833 0.030 . 1 . . . . 9 LEU HD1 . 11253 1 33 . 1 1 9 9 LEU HD12 H 1 0.833 0.030 . 1 . . . . 9 LEU HD1 . 11253 1 34 . 1 1 9 9 LEU HD13 H 1 0.833 0.030 . 1 . . . . 9 LEU HD1 . 11253 1 35 . 1 1 9 9 LEU HD21 H 1 0.850 0.030 . 1 . . . . 9 LEU HD2 . 11253 1 36 . 1 1 9 9 LEU HD22 H 1 0.850 0.030 . 1 . . . . 9 LEU HD2 . 11253 1 37 . 1 1 9 9 LEU HD23 H 1 0.850 0.030 . 1 . . . . 9 LEU HD2 . 11253 1 38 . 1 1 9 9 LEU HG H 1 1.395 0.030 . 1 . . . . 9 LEU HG . 11253 1 39 . 1 1 9 9 LEU C C 13 176.332 0.300 . 1 . . . . 9 LEU C . 11253 1 40 . 1 1 9 9 LEU CA C 13 54.323 0.300 . 1 . . . . 9 LEU CA . 11253 1 41 . 1 1 9 9 LEU CB C 13 43.197 0.300 . 1 . . . . 9 LEU CB . 11253 1 42 . 1 1 9 9 LEU CD1 C 13 24.089 0.300 . 2 . . . . 9 LEU CD1 . 11253 1 43 . 1 1 9 9 LEU CD2 C 13 25.133 0.300 . 2 . . . . 9 LEU CD2 . 11253 1 44 . 1 1 9 9 LEU CG C 13 27.499 0.300 . 1 . . . . 9 LEU CG . 11253 1 45 . 1 1 9 9 LEU N N 15 126.869 0.300 . 1 . . . . 9 LEU N . 11253 1 46 . 1 1 10 10 ILE H H 1 8.926 0.030 . 1 . . . . 10 ILE H . 11253 1 47 . 1 1 10 10 ILE HA H 1 4.854 0.030 . 1 . . . . 10 ILE HA . 11253 1 48 . 1 1 10 10 ILE HB H 1 1.887 0.030 . 1 . . . . 10 ILE HB . 11253 1 49 . 1 1 10 10 ILE HD11 H 1 0.615 0.030 . 1 . . . . 10 ILE HD1 . 11253 1 50 . 1 1 10 10 ILE HD12 H 1 0.615 0.030 . 1 . . . . 10 ILE HD1 . 11253 1 51 . 1 1 10 10 ILE HD13 H 1 0.615 0.030 . 1 . . . . 10 ILE HD1 . 11253 1 52 . 1 1 10 10 ILE HG12 H 1 1.367 0.030 . 2 . . . . 10 ILE HG12 . 11253 1 53 . 1 1 10 10 ILE HG13 H 1 0.914 0.030 . 2 . . . . 10 ILE HG13 . 11253 1 54 . 1 1 10 10 ILE HG21 H 1 0.766 0.030 . 1 . . . . 10 ILE HG2 . 11253 1 55 . 1 1 10 10 ILE HG22 H 1 0.766 0.030 . 1 . . . . 10 ILE HG2 . 11253 1 56 . 1 1 10 10 ILE HG23 H 1 0.766 0.030 . 1 . . . . 10 ILE HG2 . 11253 1 57 . 1 1 10 10 ILE C C 13 175.506 0.300 . 1 . . . . 10 ILE C . 11253 1 58 . 1 1 10 10 ILE CA C 13 57.108 0.300 . 1 . . . . 10 ILE CA . 11253 1 59 . 1 1 10 10 ILE CB C 13 39.682 0.300 . 1 . . . . 10 ILE CB . 11253 1 60 . 1 1 10 10 ILE CD1 C 13 11.489 0.300 . 1 . . . . 10 ILE CD1 . 11253 1 61 . 1 1 10 10 ILE CG1 C 13 27.535 0.300 . 1 . . . . 10 ILE CG1 . 11253 1 62 . 1 1 10 10 ILE CG2 C 13 17.736 0.300 . 1 . . . . 10 ILE CG2 . 11253 1 63 . 1 1 10 10 ILE N N 15 127.747 0.300 . 1 . . . . 10 ILE N . 11253 1 64 . 1 1 11 11 THR H H 1 8.643 0.030 . 1 . . . . 11 THR H . 11253 1 65 . 1 1 11 11 THR HA H 1 4.577 0.030 . 1 . . . . 11 THR HA . 11253 1 66 . 1 1 11 11 THR HB H 1 3.874 0.030 . 1 . . . . 11 THR HB . 11253 1 67 . 1 1 11 11 THR HG21 H 1 1.003 0.030 . 1 . . . . 11 THR HG2 . 11253 1 68 . 1 1 11 11 THR HG22 H 1 1.003 0.030 . 1 . . . . 11 THR HG2 . 11253 1 69 . 1 1 11 11 THR HG23 H 1 1.003 0.030 . 1 . . . . 11 THR HG2 . 11253 1 70 . 1 1 11 11 THR C C 13 171.560 0.300 . 1 . . . . 11 THR C . 11253 1 71 . 1 1 11 11 THR CA C 13 62.872 0.300 . 1 . . . . 11 THR CA . 11253 1 72 . 1 1 11 11 THR CB C 13 69.848 0.300 . 1 . . . . 11 THR CB . 11253 1 73 . 1 1 11 11 THR CG2 C 13 21.763 0.300 . 1 . . . . 11 THR CG2 . 11253 1 74 . 1 1 11 11 THR N N 15 124.155 0.300 . 1 . . . . 11 THR N . 11253 1 75 . 1 1 12 12 VAL H H 1 9.236 0.030 . 1 . . . . 12 VAL H . 11253 1 76 . 1 1 12 12 VAL HA H 1 4.454 0.030 . 1 . . . . 12 VAL HA . 11253 1 77 . 1 1 12 12 VAL HB H 1 0.394 0.030 . 1 . . . . 12 VAL HB . 11253 1 78 . 1 1 12 12 VAL HG11 H 1 0.515 0.030 . 1 . . . . 12 VAL HG1 . 11253 1 79 . 1 1 12 12 VAL HG12 H 1 0.515 0.030 . 1 . . . . 12 VAL HG1 . 11253 1 80 . 1 1 12 12 VAL HG13 H 1 0.515 0.030 . 1 . . . . 12 VAL HG1 . 11253 1 81 . 1 1 12 12 VAL HG21 H 1 0.585 0.030 . 1 . . . . 12 VAL HG2 . 11253 1 82 . 1 1 12 12 VAL HG22 H 1 0.585 0.030 . 1 . . . . 12 VAL HG2 . 11253 1 83 . 1 1 12 12 VAL HG23 H 1 0.585 0.030 . 1 . . . . 12 VAL HG2 . 11253 1 84 . 1 1 12 12 VAL C C 13 173.789 0.300 . 1 . . . . 12 VAL C . 11253 1 85 . 1 1 12 12 VAL CA C 13 60.537 0.300 . 1 . . . . 12 VAL CA . 11253 1 86 . 1 1 12 12 VAL CB C 13 32.168 0.300 . 1 . . . . 12 VAL CB . 11253 1 87 . 1 1 12 12 VAL CG1 C 13 23.161 0.300 . 2 . . . . 12 VAL CG1 . 11253 1 88 . 1 1 12 12 VAL CG2 C 13 20.630 0.300 . 2 . . . . 12 VAL CG2 . 11253 1 89 . 1 1 12 12 VAL N N 15 128.067 0.300 . 1 . . . . 12 VAL N . 11253 1 90 . 1 1 13 13 TYR H H 1 8.662 0.030 . 1 . . . . 13 TYR H . 11253 1 91 . 1 1 13 13 TYR HA H 1 4.959 0.030 . 1 . . . . 13 TYR HA . 11253 1 92 . 1 1 13 13 TYR HB2 H 1 2.950 0.030 . 1 . . . . 13 TYR HB2 . 11253 1 93 . 1 1 13 13 TYR HB3 H 1 2.950 0.030 . 1 . . . . 13 TYR HB3 . 11253 1 94 . 1 1 13 13 TYR HD1 H 1 7.099 0.030 . 1 . . . . 13 TYR HD1 . 11253 1 95 . 1 1 13 13 TYR HD2 H 1 7.099 0.030 . 1 . . . . 13 TYR HD2 . 11253 1 96 . 1 1 13 13 TYR HE1 H 1 6.686 0.030 . 1 . . . . 13 TYR HE1 . 11253 1 97 . 1 1 13 13 TYR HE2 H 1 6.686 0.030 . 1 . . . . 13 TYR HE2 . 11253 1 98 . 1 1 13 13 TYR C C 13 173.736 0.300 . 1 . . . . 13 TYR C . 11253 1 99 . 1 1 13 13 TYR CA C 13 56.039 0.300 . 1 . . . . 13 TYR CA . 11253 1 100 . 1 1 13 13 TYR CB C 13 39.600 0.300 . 1 . . . . 13 TYR CB . 11253 1 101 . 1 1 13 13 TYR CD1 C 13 132.881 0.300 . 1 . . . . 13 TYR CD1 . 11253 1 102 . 1 1 13 13 TYR CD2 C 13 132.881 0.300 . 1 . . . . 13 TYR CD2 . 11253 1 103 . 1 1 13 13 TYR CE1 C 13 118.028 0.300 . 1 . . . . 13 TYR CE1 . 11253 1 104 . 1 1 13 13 TYR CE2 C 13 118.028 0.300 . 1 . . . . 13 TYR CE2 . 11253 1 105 . 1 1 13 13 TYR N N 15 127.925 0.300 . 1 . . . . 13 TYR N . 11253 1 106 . 1 1 14 14 CYS H H 1 9.057 0.030 . 1 . . . . 14 CYS H . 11253 1 107 . 1 1 14 14 CYS HA H 1 5.668 0.030 . 1 . . . . 14 CYS HA . 11253 1 108 . 1 1 14 14 CYS HB2 H 1 2.692 0.030 . 2 . . . . 14 CYS HB2 . 11253 1 109 . 1 1 14 14 CYS HB3 H 1 3.101 0.030 . 2 . . . . 14 CYS HB3 . 11253 1 110 . 1 1 14 14 CYS C C 13 173.290 0.300 . 1 . . . . 14 CYS C . 11253 1 111 . 1 1 14 14 CYS CA C 13 55.944 0.300 . 1 . . . . 14 CYS CA . 11253 1 112 . 1 1 14 14 CYS CB C 13 28.900 0.300 . 1 . . . . 14 CYS CB . 11253 1 113 . 1 1 14 14 CYS N N 15 126.234 0.300 . 1 . . . . 14 CYS N . 11253 1 114 . 1 1 15 15 VAL H H 1 8.642 0.030 . 1 . . . . 15 VAL H . 11253 1 115 . 1 1 15 15 VAL HA H 1 4.463 0.030 . 1 . . . . 15 VAL HA . 11253 1 116 . 1 1 15 15 VAL HB H 1 1.990 0.030 . 1 . . . . 15 VAL HB . 11253 1 117 . 1 1 15 15 VAL HG11 H 1 0.722 0.030 . 1 . . . . 15 VAL HG1 . 11253 1 118 . 1 1 15 15 VAL HG12 H 1 0.722 0.030 . 1 . . . . 15 VAL HG1 . 11253 1 119 . 1 1 15 15 VAL HG13 H 1 0.722 0.030 . 1 . . . . 15 VAL HG1 . 11253 1 120 . 1 1 15 15 VAL HG21 H 1 0.967 0.030 . 1 . . . . 15 VAL HG2 . 11253 1 121 . 1 1 15 15 VAL HG22 H 1 0.967 0.030 . 1 . . . . 15 VAL HG2 . 11253 1 122 . 1 1 15 15 VAL HG23 H 1 0.967 0.030 . 1 . . . . 15 VAL HG2 . 11253 1 123 . 1 1 15 15 VAL CA C 13 61.713 0.300 . 1 . . . . 15 VAL CA . 11253 1 124 . 1 1 15 15 VAL CB C 13 33.008 0.300 . 1 . . . . 15 VAL CB . 11253 1 125 . 1 1 15 15 VAL CG1 C 13 20.416 0.300 . 2 . . . . 15 VAL CG1 . 11253 1 126 . 1 1 15 15 VAL CG2 C 13 20.941 0.300 . 2 . . . . 15 VAL CG2 . 11253 1 127 . 1 1 15 15 VAL N N 15 124.676 0.300 . 1 . . . . 15 VAL N . 11253 1 128 . 1 1 16 16 ARG H H 1 8.898 0.030 . 1 . . . . 16 ARG H . 11253 1 129 . 1 1 16 16 ARG HA H 1 4.175 0.030 . 1 . . . . 16 ARG HA . 11253 1 130 . 1 1 16 16 ARG HB2 H 1 1.661 0.030 . 2 . . . . 16 ARG HB2 . 11253 1 131 . 1 1 16 16 ARG HB3 H 1 1.713 0.030 . 2 . . . . 16 ARG HB3 . 11253 1 132 . 1 1 16 16 ARG HD2 H 1 3.238 0.030 . 1 . . . . 16 ARG HD2 . 11253 1 133 . 1 1 16 16 ARG HD3 H 1 3.238 0.030 . 1 . . . . 16 ARG HD3 . 11253 1 134 . 1 1 16 16 ARG HE H 1 7.241 0.030 . 1 . . . . 16 ARG HE . 11253 1 135 . 1 1 16 16 ARG HG2 H 1 1.588 0.030 . 1 . . . . 16 ARG HG2 . 11253 1 136 . 1 1 16 16 ARG HG3 H 1 1.588 0.030 . 1 . . . . 16 ARG HG3 . 11253 1 137 . 1 1 16 16 ARG CA C 13 58.751 0.300 . 1 . . . . 16 ARG CA . 11253 1 138 . 1 1 16 16 ARG CB C 13 30.013 0.300 . 1 . . . . 16 ARG CB . 11253 1 139 . 1 1 16 16 ARG CD C 13 43.502 0.300 . 1 . . . . 16 ARG CD . 11253 1 140 . 1 1 16 16 ARG CG C 13 27.250 0.300 . 1 . . . . 16 ARG CG . 11253 1 141 . 1 1 16 16 ARG N N 15 121.657 0.300 . 1 . . . . 16 ARG N . 11253 1 142 . 1 1 16 16 ARG NE N 15 83.824 0.300 . 1 . . . . 16 ARG NE . 11253 1 143 . 1 1 17 17 ARG H H 1 8.897 0.030 . 1 . . . . 17 ARG H . 11253 1 144 . 1 1 17 17 ARG HA H 1 4.401 0.030 . 1 . . . . 17 ARG HA . 11253 1 145 . 1 1 17 17 ARG HB2 H 1 2.121 0.030 . 2 . . . . 17 ARG HB2 . 11253 1 146 . 1 1 17 17 ARG HB3 H 1 1.990 0.030 . 2 . . . . 17 ARG HB3 . 11253 1 147 . 1 1 17 17 ARG HD2 H 1 3.185 0.030 . 2 . . . . 17 ARG HD2 . 11253 1 148 . 1 1 17 17 ARG HD3 H 1 3.144 0.030 . 2 . . . . 17 ARG HD3 . 11253 1 149 . 1 1 17 17 ARG HE H 1 7.011 0.030 . 1 . . . . 17 ARG HE . 11253 1 150 . 1 1 17 17 ARG HG2 H 1 1.567 0.030 . 2 . . . . 17 ARG HG2 . 11253 1 151 . 1 1 17 17 ARG HG3 H 1 1.280 0.030 . 2 . . . . 17 ARG HG3 . 11253 1 152 . 1 1 17 17 ARG CA C 13 56.878 0.300 . 1 . . . . 17 ARG CA . 11253 1 153 . 1 1 17 17 ARG CB C 13 31.172 0.300 . 1 . . . . 17 ARG CB . 11253 1 154 . 1 1 17 17 ARG CD C 13 43.502 0.300 . 1 . . . . 17 ARG CD . 11253 1 155 . 1 1 17 17 ARG CG C 13 29.855 0.300 . 1 . . . . 17 ARG CG . 11253 1 156 . 1 1 17 17 ARG N N 15 121.657 0.300 . 1 . . . . 17 ARG N . 11253 1 157 . 1 1 17 17 ARG NE N 15 83.279 0.300 . 1 . . . . 17 ARG NE . 11253 1 158 . 1 1 18 18 ASP H H 1 7.673 0.030 . 1 . . . . 18 ASP H . 11253 1 159 . 1 1 18 18 ASP HA H 1 4.458 0.030 . 1 . . . . 18 ASP HA . 11253 1 160 . 1 1 18 18 ASP HB2 H 1 2.540 0.030 . 2 . . . . 18 ASP HB2 . 11253 1 161 . 1 1 18 18 ASP HB3 H 1 3.114 0.030 . 2 . . . . 18 ASP HB3 . 11253 1 162 . 1 1 18 18 ASP CA C 13 53.299 0.300 . 1 . . . . 18 ASP CA . 11253 1 163 . 1 1 18 18 ASP CB C 13 39.567 0.300 . 1 . . . . 18 ASP CB . 11253 1 164 . 1 1 18 18 ASP N N 15 116.598 0.300 . 1 . . . . 18 ASP N . 11253 1 165 . 1 1 19 19 LEU H H 1 8.119 0.030 . 1 . . . . 19 LEU H . 11253 1 166 . 1 1 19 19 LEU HA H 1 3.882 0.030 . 1 . . . . 19 LEU HA . 11253 1 167 . 1 1 19 19 LEU HB2 H 1 2.302 0.030 . 2 . . . . 19 LEU HB2 . 11253 1 168 . 1 1 19 19 LEU HB3 H 1 1.673 0.030 . 2 . . . . 19 LEU HB3 . 11253 1 169 . 1 1 19 19 LEU HD11 H 1 0.895 0.030 . 1 . . . . 19 LEU HD1 . 11253 1 170 . 1 1 19 19 LEU HD12 H 1 0.895 0.030 . 1 . . . . 19 LEU HD1 . 11253 1 171 . 1 1 19 19 LEU HD13 H 1 0.895 0.030 . 1 . . . . 19 LEU HD1 . 11253 1 172 . 1 1 19 19 LEU HD21 H 1 0.945 0.030 . 1 . . . . 19 LEU HD2 . 11253 1 173 . 1 1 19 19 LEU HD22 H 1 0.945 0.030 . 1 . . . . 19 LEU HD2 . 11253 1 174 . 1 1 19 19 LEU HD23 H 1 0.945 0.030 . 1 . . . . 19 LEU HD2 . 11253 1 175 . 1 1 19 19 LEU HG H 1 1.532 0.030 . 1 . . . . 19 LEU HG . 11253 1 176 . 1 1 19 19 LEU CA C 13 57.102 0.300 . 1 . . . . 19 LEU CA . 11253 1 177 . 1 1 19 19 LEU CB C 13 38.356 0.300 . 1 . . . . 19 LEU CB . 11253 1 178 . 1 1 19 19 LEU CD1 C 13 22.777 0.300 . 2 . . . . 19 LEU CD1 . 11253 1 179 . 1 1 19 19 LEU CD2 C 13 25.401 0.300 . 2 . . . . 19 LEU CD2 . 11253 1 180 . 1 1 19 19 LEU CG C 13 27.499 0.300 . 1 . . . . 19 LEU CG . 11253 1 181 . 1 1 19 19 LEU N N 15 112.573 0.300 . 1 . . . . 19 LEU N . 11253 1 182 . 1 1 20 20 THR H H 1 8.325 0.030 . 1 . . . . 20 THR H . 11253 1 183 . 1 1 20 20 THR HA H 1 4.371 0.030 . 1 . . . . 20 THR HA . 11253 1 184 . 1 1 20 20 THR HB H 1 4.239 0.030 . 1 . . . . 20 THR HB . 11253 1 185 . 1 1 20 20 THR HG21 H 1 1.229 0.030 . 1 . . . . 20 THR HG2 . 11253 1 186 . 1 1 20 20 THR HG22 H 1 1.229 0.030 . 1 . . . . 20 THR HG2 . 11253 1 187 . 1 1 20 20 THR HG23 H 1 1.229 0.030 . 1 . . . . 20 THR HG2 . 11253 1 188 . 1 1 20 20 THR CA C 13 62.991 0.300 . 1 . . . . 20 THR CA . 11253 1 189 . 1 1 20 20 THR CB C 13 70.632 0.300 . 1 . . . . 20 THR CB . 11253 1 190 . 1 1 20 20 THR CG2 C 13 22.065 0.300 . 1 . . . . 20 THR CG2 . 11253 1 191 . 1 1 20 20 THR N N 15 119.225 0.300 . 1 . . . . 20 THR N . 11253 1 192 . 1 1 21 21 GLU H H 1 8.817 0.030 . 1 . . . . 21 GLU H . 11253 1 193 . 1 1 21 21 GLU HA H 1 5.611 0.030 . 1 . . . . 21 GLU HA . 11253 1 194 . 1 1 21 21 GLU HB2 H 1 2.130 0.030 . 2 . . . . 21 GLU HB2 . 11253 1 195 . 1 1 21 21 GLU HB3 H 1 1.951 0.030 . 2 . . . . 21 GLU HB3 . 11253 1 196 . 1 1 21 21 GLU HG2 H 1 2.346 0.030 . 1 . . . . 21 GLU HG2 . 11253 1 197 . 1 1 21 21 GLU HG3 H 1 2.346 0.030 . 1 . . . . 21 GLU HG3 . 11253 1 198 . 1 1 21 21 GLU CA C 13 54.281 0.300 . 1 . . . . 21 GLU CA . 11253 1 199 . 1 1 21 21 GLU CB C 13 33.533 0.300 . 1 . . . . 21 GLU CB . 11253 1 200 . 1 1 21 21 GLU CG C 13 36.156 0.300 . 1 . . . . 21 GLU CG . 11253 1 201 . 1 1 21 21 GLU N N 15 120.397 0.300 . 1 . . . . 21 GLU N . 11253 1 202 . 1 1 22 22 VAL H H 1 8.808 0.030 . 1 . . . . 22 VAL H . 11253 1 203 . 1 1 22 22 VAL HA H 1 4.629 0.030 . 1 . . . . 22 VAL HA . 11253 1 204 . 1 1 22 22 VAL HB H 1 2.192 0.030 . 1 . . . . 22 VAL HB . 11253 1 205 . 1 1 22 22 VAL HG11 H 1 1.042 0.030 . 1 . . . . 22 VAL HG1 . 11253 1 206 . 1 1 22 22 VAL HG12 H 1 1.042 0.030 . 1 . . . . 22 VAL HG1 . 11253 1 207 . 1 1 22 22 VAL HG13 H 1 1.042 0.030 . 1 . . . . 22 VAL HG1 . 11253 1 208 . 1 1 22 22 VAL HG21 H 1 1.091 0.030 . 1 . . . . 22 VAL HG2 . 11253 1 209 . 1 1 22 22 VAL HG22 H 1 1.091 0.030 . 1 . . . . 22 VAL HG2 . 11253 1 210 . 1 1 22 22 VAL HG23 H 1 1.091 0.030 . 1 . . . . 22 VAL HG2 . 11253 1 211 . 1 1 22 22 VAL CA C 13 61.027 0.300 . 1 . . . . 22 VAL CA . 11253 1 212 . 1 1 22 22 VAL CB C 13 35.632 0.300 . 1 . . . . 22 VAL CB . 11253 1 213 . 1 1 22 22 VAL CG1 C 13 20.416 0.300 . 2 . . . . 22 VAL CG1 . 11253 1 214 . 1 1 22 22 VAL CG2 C 13 20.941 0.300 . 2 . . . . 22 VAL CG2 . 11253 1 215 . 1 1 23 23 THR H H 1 8.434 0.030 . 1 . . . . 23 THR H . 11253 1 216 . 1 1 23 23 THR HA H 1 5.688 0.030 . 1 . . . . 23 THR HA . 11253 1 217 . 1 1 23 23 THR HB H 1 3.911 0.030 . 1 . . . . 23 THR HB . 11253 1 218 . 1 1 23 23 THR HG21 H 1 1.008 0.030 . 1 . . . . 23 THR HG2 . 11253 1 219 . 1 1 23 23 THR HG22 H 1 1.008 0.030 . 1 . . . . 23 THR HG2 . 11253 1 220 . 1 1 23 23 THR HG23 H 1 1.008 0.030 . 1 . . . . 23 THR HG2 . 11253 1 221 . 1 1 23 23 THR C C 13 173.657 0.300 . 1 . . . . 23 THR C . 11253 1 222 . 1 1 23 23 THR CA C 13 60.715 0.300 . 1 . . . . 23 THR CA . 11253 1 223 . 1 1 23 23 THR CB C 13 70.920 0.300 . 1 . . . . 23 THR CB . 11253 1 224 . 1 1 23 23 THR CG2 C 13 21.023 0.300 . 1 . . . . 23 THR CG2 . 11253 1 225 . 1 1 23 23 THR N N 15 121.434 0.300 . 1 . . . . 23 THR N . 11253 1 226 . 1 1 24 24 PHE H H 1 8.604 0.030 . 1 . . . . 24 PHE H . 11253 1 227 . 1 1 24 24 PHE HA H 1 5.067 0.030 . 1 . . . . 24 PHE HA . 11253 1 228 . 1 1 24 24 PHE HB2 H 1 3.181 0.030 . 1 . . . . 24 PHE HB2 . 11253 1 229 . 1 1 24 24 PHE HB3 H 1 3.181 0.030 . 1 . . . . 24 PHE HB3 . 11253 1 230 . 1 1 24 24 PHE HD1 H 1 6.856 0.030 . 1 . . . . 24 PHE HD1 . 11253 1 231 . 1 1 24 24 PHE HD2 H 1 6.856 0.030 . 1 . . . . 24 PHE HD2 . 11253 1 232 . 1 1 24 24 PHE HE1 H 1 6.941 0.030 . 1 . . . . 24 PHE HE1 . 11253 1 233 . 1 1 24 24 PHE HE2 H 1 6.941 0.030 . 1 . . . . 24 PHE HE2 . 11253 1 234 . 1 1 24 24 PHE HZ H 1 6.938 0.030 . 1 . . . . 24 PHE HZ . 11253 1 235 . 1 1 24 24 PHE C C 13 172.189 0.300 . 1 . . . . 24 PHE C . 11253 1 236 . 1 1 24 24 PHE CA C 13 55.712 0.300 . 1 . . . . 24 PHE CA . 11253 1 237 . 1 1 24 24 PHE CB C 13 40.354 0.300 . 1 . . . . 24 PHE CB . 11253 1 238 . 1 1 24 24 PHE CD1 C 13 133.063 0.300 . 1 . . . . 24 PHE CD1 . 11253 1 239 . 1 1 24 24 PHE CD2 C 13 133.063 0.300 . 1 . . . . 24 PHE CD2 . 11253 1 240 . 1 1 24 24 PHE CE1 C 13 130.041 0.300 . 1 . . . . 24 PHE CE1 . 11253 1 241 . 1 1 24 24 PHE CE2 C 13 130.041 0.300 . 1 . . . . 24 PHE CE2 . 11253 1 242 . 1 1 24 24 PHE CZ C 13 128.794 0.300 . 1 . . . . 24 PHE CZ . 11253 1 243 . 1 1 24 24 PHE N N 15 123.032 0.300 . 1 . . . . 24 PHE N . 11253 1 244 . 1 1 25 25 SER H H 1 8.776 0.030 . 1 . . . . 25 SER H . 11253 1 245 . 1 1 25 25 SER HA H 1 5.621 0.030 . 1 . . . . 25 SER HA . 11253 1 246 . 1 1 25 25 SER HB2 H 1 3.755 0.030 . 2 . . . . 25 SER HB2 . 11253 1 247 . 1 1 25 25 SER HB3 H 1 3.671 0.030 . 2 . . . . 25 SER HB3 . 11253 1 248 . 1 1 25 25 SER C C 13 173.029 0.300 . 1 . . . . 25 SER C . 11253 1 249 . 1 1 25 25 SER CA C 13 56.927 0.300 . 1 . . . . 25 SER CA . 11253 1 250 . 1 1 25 25 SER CB C 13 65.820 0.300 . 1 . . . . 25 SER CB . 11253 1 251 . 1 1 25 25 SER N N 15 114.127 0.300 . 1 . . . . 25 SER N . 11253 1 252 . 1 1 26 26 LEU H H 1 9.147 0.030 . 1 . . . . 26 LEU H . 11253 1 253 . 1 1 26 26 LEU HA H 1 4.808 0.030 . 1 . . . . 26 LEU HA . 11253 1 254 . 1 1 26 26 LEU HB2 H 1 1.642 0.030 . 2 . . . . 26 LEU HB2 . 11253 1 255 . 1 1 26 26 LEU HB3 H 1 1.463 0.030 . 2 . . . . 26 LEU HB3 . 11253 1 256 . 1 1 26 26 LEU HD11 H 1 0.798 0.030 . 1 . . . . 26 LEU HD1 . 11253 1 257 . 1 1 26 26 LEU HD12 H 1 0.798 0.030 . 1 . . . . 26 LEU HD1 . 11253 1 258 . 1 1 26 26 LEU HD13 H 1 0.798 0.030 . 1 . . . . 26 LEU HD1 . 11253 1 259 . 1 1 26 26 LEU HD21 H 1 1.018 0.030 . 1 . . . . 26 LEU HD2 . 11253 1 260 . 1 1 26 26 LEU HD22 H 1 1.018 0.030 . 1 . . . . 26 LEU HD2 . 11253 1 261 . 1 1 26 26 LEU HD23 H 1 1.018 0.030 . 1 . . . . 26 LEU HD2 . 11253 1 262 . 1 1 26 26 LEU HG H 1 1.665 0.030 . 1 . . . . 26 LEU HG . 11253 1 263 . 1 1 26 26 LEU C C 13 174.510 0.300 . 1 . . . . 26 LEU C . 11253 1 264 . 1 1 26 26 LEU CA C 13 53.738 0.300 . 1 . . . . 26 LEU CA . 11253 1 265 . 1 1 26 26 LEU CB C 13 46.997 0.300 . 1 . . . . 26 LEU CB . 11253 1 266 . 1 1 26 26 LEU CD1 C 13 28.129 0.300 . 2 . . . . 26 LEU CD1 . 11253 1 267 . 1 1 26 26 LEU CD2 C 13 24.537 0.300 . 2 . . . . 26 LEU CD2 . 11253 1 268 . 1 1 26 26 LEU CG C 13 26.975 0.300 . 1 . . . . 26 LEU CG . 11253 1 269 . 1 1 26 26 LEU N N 15 122.492 0.300 . 1 . . . . 26 LEU N . 11253 1 270 . 1 1 27 27 GLN H H 1 8.509 0.030 . 1 . . . . 27 GLN H . 11253 1 271 . 1 1 27 27 GLN HA H 1 5.037 0.030 . 1 . . . . 27 GLN HA . 11253 1 272 . 1 1 27 27 GLN HB2 H 1 2.033 0.030 . 2 . . . . 27 GLN HB2 . 11253 1 273 . 1 1 27 27 GLN HB3 H 1 1.886 0.030 . 2 . . . . 27 GLN HB3 . 11253 1 274 . 1 1 27 27 GLN HE21 H 1 6.773 0.030 . 2 . . . . 27 GLN HE21 . 11253 1 275 . 1 1 27 27 GLN HE22 H 1 7.288 0.030 . 2 . . . . 27 GLN HE22 . 11253 1 276 . 1 1 27 27 GLN HG2 H 1 2.196 0.030 . 1 . . . . 27 GLN HG2 . 11253 1 277 . 1 1 27 27 GLN HG3 H 1 2.196 0.030 . 1 . . . . 27 GLN HG3 . 11253 1 278 . 1 1 27 27 GLN C C 13 175.925 0.300 . 1 . . . . 27 GLN C . 11253 1 279 . 1 1 27 27 GLN CA C 13 54.888 0.300 . 1 . . . . 27 GLN CA . 11253 1 280 . 1 1 27 27 GLN CB C 13 28.996 0.300 . 1 . . . . 27 GLN CB . 11253 1 281 . 1 1 27 27 GLN CG C 13 33.795 0.300 . 1 . . . . 27 GLN CG . 11253 1 282 . 1 1 27 27 GLN N N 15 122.967 0.300 . 1 . . . . 27 GLN N . 11253 1 283 . 1 1 27 27 GLN NE2 N 15 110.687 0.300 . 1 . . . . 27 GLN NE2 . 11253 1 284 . 1 1 28 28 VAL H H 1 8.971 0.030 . 1 . . . . 28 VAL H . 11253 1 285 . 1 1 28 28 VAL HA H 1 4.563 0.030 . 1 . . . . 28 VAL HA . 11253 1 286 . 1 1 28 28 VAL HB H 1 1.770 0.030 . 1 . . . . 28 VAL HB . 11253 1 287 . 1 1 28 28 VAL HG11 H 1 0.823 0.030 . 1 . . . . 28 VAL HG1 . 11253 1 288 . 1 1 28 28 VAL HG12 H 1 0.823 0.030 . 1 . . . . 28 VAL HG1 . 11253 1 289 . 1 1 28 28 VAL HG13 H 1 0.823 0.030 . 1 . . . . 28 VAL HG1 . 11253 1 290 . 1 1 28 28 VAL HG21 H 1 0.617 0.030 . 1 . . . . 28 VAL HG2 . 11253 1 291 . 1 1 28 28 VAL HG22 H 1 0.617 0.030 . 1 . . . . 28 VAL HG2 . 11253 1 292 . 1 1 28 28 VAL HG23 H 1 0.617 0.030 . 1 . . . . 28 VAL HG2 . 11253 1 293 . 1 1 28 28 VAL C C 13 173.055 0.300 . 1 . . . . 28 VAL C . 11253 1 294 . 1 1 28 28 VAL CA C 13 58.587 0.300 . 1 . . . . 28 VAL CA . 11253 1 295 . 1 1 28 28 VAL CB C 13 35.408 0.300 . 1 . . . . 28 VAL CB . 11253 1 296 . 1 1 28 28 VAL CG1 C 13 22.421 0.300 . 2 . . . . 28 VAL CG1 . 11253 1 297 . 1 1 28 28 VAL CG2 C 13 19.475 0.300 . 2 . . . . 28 VAL CG2 . 11253 1 298 . 1 1 28 28 VAL N N 15 118.491 0.300 . 1 . . . . 28 VAL N . 11253 1 299 . 1 1 29 29 ASN H H 1 6.501 0.030 . 1 . . . . 29 ASN H . 11253 1 300 . 1 1 29 29 ASN HA H 1 4.964 0.030 . 1 . . . . 29 ASN HA . 11253 1 301 . 1 1 29 29 ASN HB2 H 1 2.479 0.030 . 1 . . . . 29 ASN HB2 . 11253 1 302 . 1 1 29 29 ASN HB3 H 1 2.479 0.030 . 1 . . . . 29 ASN HB3 . 11253 1 303 . 1 1 29 29 ASN HD21 H 1 7.013 0.030 . 2 . . . . 29 ASN HD21 . 11253 1 304 . 1 1 29 29 ASN HD22 H 1 7.686 0.030 . 2 . . . . 29 ASN HD22 . 11253 1 305 . 1 1 29 29 ASN C C 13 174.339 0.300 . 1 . . . . 29 ASN C . 11253 1 306 . 1 1 29 29 ASN CA C 13 50.725 0.300 . 1 . . . . 29 ASN CA . 11253 1 307 . 1 1 29 29 ASN CB C 13 39.566 0.300 . 1 . . . . 29 ASN CB . 11253 1 308 . 1 1 29 29 ASN N N 15 119.536 0.300 . 1 . . . . 29 ASN N . 11253 1 309 . 1 1 29 29 ASN ND2 N 15 113.457 0.300 . 1 . . . . 29 ASN ND2 . 11253 1 310 . 1 1 30 30 PRO HA H 1 4.073 0.030 . 1 . . . . 30 PRO HA . 11253 1 311 . 1 1 30 30 PRO HB2 H 1 2.314 0.030 . 2 . . . . 30 PRO HB2 . 11253 1 312 . 1 1 30 30 PRO HB3 H 1 2.022 0.030 . 2 . . . . 30 PRO HB3 . 11253 1 313 . 1 1 30 30 PRO HD2 H 1 3.701 0.030 . 2 . . . . 30 PRO HD2 . 11253 1 314 . 1 1 30 30 PRO HD3 H 1 3.853 0.030 . 2 . . . . 30 PRO HD3 . 11253 1 315 . 1 1 30 30 PRO HG2 H 1 2.074 0.030 . 2 . . . . 30 PRO HG2 . 11253 1 316 . 1 1 30 30 PRO HG3 H 1 2.114 0.030 . 2 . . . . 30 PRO HG3 . 11253 1 317 . 1 1 30 30 PRO C C 13 176.096 0.300 . 1 . . . . 30 PRO C . 11253 1 318 . 1 1 30 30 PRO CA C 13 64.998 0.300 . 1 . . . . 30 PRO CA . 11253 1 319 . 1 1 30 30 PRO CB C 13 31.959 0.300 . 1 . . . . 30 PRO CB . 11253 1 320 . 1 1 30 30 PRO CD C 13 51.189 0.300 . 1 . . . . 30 PRO CD . 11253 1 321 . 1 1 30 30 PRO CG C 13 27.517 0.300 . 1 . . . . 30 PRO CG . 11253 1 322 . 1 1 31 31 ASP H H 1 8.312 0.030 . 1 . . . . 31 ASP H . 11253 1 323 . 1 1 31 31 ASP HA H 1 4.645 0.030 . 1 . . . . 31 ASP HA . 11253 1 324 . 1 1 31 31 ASP HB2 H 1 2.802 0.030 . 2 . . . . 31 ASP HB2 . 11253 1 325 . 1 1 31 31 ASP HB3 H 1 2.708 0.030 . 2 . . . . 31 ASP HB3 . 11253 1 326 . 1 1 31 31 ASP C C 13 176.817 0.300 . 1 . . . . 31 ASP C . 11253 1 327 . 1 1 31 31 ASP CA C 13 54.724 0.300 . 1 . . . . 31 ASP CA . 11253 1 328 . 1 1 31 31 ASP CB C 13 40.313 0.300 . 1 . . . . 31 ASP CB . 11253 1 329 . 1 1 31 31 ASP N N 15 114.014 0.300 . 1 . . . . 31 ASP N . 11253 1 330 . 1 1 32 32 PHE H H 1 7.894 0.030 . 1 . . . . 32 PHE H . 11253 1 331 . 1 1 32 32 PHE HA H 1 4.645 0.030 . 1 . . . . 32 PHE HA . 11253 1 332 . 1 1 32 32 PHE HB2 H 1 3.481 0.030 . 2 . . . . 32 PHE HB2 . 11253 1 333 . 1 1 32 32 PHE HB3 H 1 3.065 0.030 . 2 . . . . 32 PHE HB3 . 11253 1 334 . 1 1 32 32 PHE HD1 H 1 7.296 0.030 . 1 . . . . 32 PHE HD1 . 11253 1 335 . 1 1 32 32 PHE HD2 H 1 7.296 0.030 . 1 . . . . 32 PHE HD2 . 11253 1 336 . 1 1 32 32 PHE HE1 H 1 7.548 0.030 . 1 . . . . 32 PHE HE1 . 11253 1 337 . 1 1 32 32 PHE HE2 H 1 7.548 0.030 . 1 . . . . 32 PHE HE2 . 11253 1 338 . 1 1 32 32 PHE HZ H 1 7.479 0.030 . 1 . . . . 32 PHE HZ . 11253 1 339 . 1 1 32 32 PHE C C 13 175.894 0.300 . 1 . . . . 32 PHE C . 11253 1 340 . 1 1 32 32 PHE CA C 13 56.861 0.300 . 1 . . . . 32 PHE CA . 11253 1 341 . 1 1 32 32 PHE CB C 13 39.218 0.300 . 1 . . . . 32 PHE CB . 11253 1 342 . 1 1 32 32 PHE CD1 C 13 130.158 0.300 . 1 . . . . 32 PHE CD1 . 11253 1 343 . 1 1 32 32 PHE CD2 C 13 130.158 0.300 . 1 . . . . 32 PHE CD2 . 11253 1 344 . 1 1 32 32 PHE CE1 C 13 132.120 0.300 . 1 . . . . 32 PHE CE1 . 11253 1 345 . 1 1 32 32 PHE CE2 C 13 132.120 0.300 . 1 . . . . 32 PHE CE2 . 11253 1 346 . 1 1 32 32 PHE CZ C 13 130.391 0.300 . 1 . . . . 32 PHE CZ . 11253 1 347 . 1 1 32 32 PHE N N 15 122.239 0.300 . 1 . . . . 32 PHE N . 11253 1 348 . 1 1 33 33 GLU H H 1 8.750 0.030 . 1 . . . . 33 GLU H . 11253 1 349 . 1 1 33 33 GLU HA H 1 4.240 0.030 . 1 . . . . 33 GLU HA . 11253 1 350 . 1 1 33 33 GLU HB2 H 1 2.481 0.030 . 2 . . . . 33 GLU HB2 . 11253 1 351 . 1 1 33 33 GLU HB3 H 1 1.930 0.030 . 2 . . . . 33 GLU HB3 . 11253 1 352 . 1 1 33 33 GLU HG2 H 1 2.290 0.030 . 2 . . . . 33 GLU HG2 . 11253 1 353 . 1 1 33 33 GLU HG3 H 1 2.483 0.030 . 2 . . . . 33 GLU HG3 . 11253 1 354 . 1 1 33 33 GLU C C 13 178.481 0.300 . 1 . . . . 33 GLU C . 11253 1 355 . 1 1 33 33 GLU CA C 13 56.779 0.300 . 1 . . . . 33 GLU CA . 11253 1 356 . 1 1 33 33 GLU CB C 13 30.805 0.300 . 1 . . . . 33 GLU CB . 11253 1 357 . 1 1 33 33 GLU CG C 13 37.219 0.300 . 1 . . . . 33 GLU CG . 11253 1 358 . 1 1 33 33 GLU N N 15 122.237 0.300 . 1 . . . . 33 GLU N . 11253 1 359 . 1 1 34 34 LEU H H 1 8.380 0.030 . 1 . . . . 34 LEU H . 11253 1 360 . 1 1 34 34 LEU HA H 1 4.132 0.030 . 1 . . . . 34 LEU HA . 11253 1 361 . 1 1 34 34 LEU HB2 H 1 2.367 0.030 . 2 . . . . 34 LEU HB2 . 11253 1 362 . 1 1 34 34 LEU HB3 H 1 1.681 0.030 . 2 . . . . 34 LEU HB3 . 11253 1 363 . 1 1 34 34 LEU HD11 H 1 0.888 0.030 . 1 . . . . 34 LEU HD1 . 11253 1 364 . 1 1 34 34 LEU HD12 H 1 0.888 0.030 . 1 . . . . 34 LEU HD1 . 11253 1 365 . 1 1 34 34 LEU HD13 H 1 0.888 0.030 . 1 . . . . 34 LEU HD1 . 11253 1 366 . 1 1 34 34 LEU HD21 H 1 0.872 0.030 . 1 . . . . 34 LEU HD2 . 11253 1 367 . 1 1 34 34 LEU HD22 H 1 0.872 0.030 . 1 . . . . 34 LEU HD2 . 11253 1 368 . 1 1 34 34 LEU HD23 H 1 0.872 0.030 . 1 . . . . 34 LEU HD2 . 11253 1 369 . 1 1 34 34 LEU HG H 1 0.775 0.030 . 1 . . . . 34 LEU HG . 11253 1 370 . 1 1 34 34 LEU C C 13 178.638 0.300 . 1 . . . . 34 LEU C . 11253 1 371 . 1 1 34 34 LEU CA C 13 58.752 0.300 . 1 . . . . 34 LEU CA . 11253 1 372 . 1 1 34 34 LEU CB C 13 41.596 0.300 . 1 . . . . 34 LEU CB . 11253 1 373 . 1 1 34 34 LEU CD1 C 13 23.827 0.300 . 2 . . . . 34 LEU CD1 . 11253 1 374 . 1 1 34 34 LEU CG C 13 26.464 0.300 . 1 . . . . 34 LEU CG . 11253 1 375 . 1 1 34 34 LEU N N 15 124.004 0.300 . 1 . . . . 34 LEU N . 11253 1 376 . 1 1 35 35 SER H H 1 8.947 0.030 . 1 . . . . 35 SER H . 11253 1 377 . 1 1 35 35 SER HA H 1 3.840 0.030 . 1 . . . . 35 SER HA . 11253 1 378 . 1 1 35 35 SER HB2 H 1 3.927 0.030 . 1 . . . . 35 SER HB2 . 11253 1 379 . 1 1 35 35 SER HB3 H 1 3.927 0.030 . 1 . . . . 35 SER HB3 . 11253 1 380 . 1 1 35 35 SER C C 13 176.751 0.300 . 1 . . . . 35 SER C . 11253 1 381 . 1 1 35 35 SER CA C 13 61.827 0.300 . 1 . . . . 35 SER CA . 11253 1 382 . 1 1 35 35 SER CB C 13 61.729 0.300 . 1 . . . . 35 SER CB . 11253 1 383 . 1 1 35 35 SER N N 15 112.267 0.300 . 1 . . . . 35 SER N . 11253 1 384 . 1 1 36 36 ASN H H 1 6.974 0.030 . 1 . . . . 36 ASN H . 11253 1 385 . 1 1 36 36 ASN HA H 1 4.575 0.030 . 1 . . . . 36 ASN HA . 11253 1 386 . 1 1 36 36 ASN HB2 H 1 2.695 0.030 . 2 . . . . 36 ASN HB2 . 11253 1 387 . 1 1 36 36 ASN HB3 H 1 2.550 0.030 . 2 . . . . 36 ASN HB3 . 11253 1 388 . 1 1 36 36 ASN HD21 H 1 6.876 0.030 . 2 . . . . 36 ASN HD21 . 11253 1 389 . 1 1 36 36 ASN HD22 H 1 7.157 0.030 . 2 . . . . 36 ASN HD22 . 11253 1 390 . 1 1 36 36 ASN C C 13 177.629 0.300 . 1 . . . . 36 ASN C . 11253 1 391 . 1 1 36 36 ASN CA C 13 55.710 0.300 . 1 . . . . 36 ASN CA . 11253 1 392 . 1 1 36 36 ASN CB C 13 38.942 0.300 . 1 . . . . 36 ASN CB . 11253 1 393 . 1 1 36 36 ASN N N 15 119.649 0.300 . 1 . . . . 36 ASN N . 11253 1 394 . 1 1 36 36 ASN ND2 N 15 111.881 0.300 . 1 . . . . 36 ASN ND2 . 11253 1 395 . 1 1 37 37 PHE H H 1 8.363 0.030 . 1 . . . . 37 PHE H . 11253 1 396 . 1 1 37 37 PHE HA H 1 4.348 0.030 . 1 . . . . 37 PHE HA . 11253 1 397 . 1 1 37 37 PHE HB2 H 1 3.619 0.030 . 2 . . . . 37 PHE HB2 . 11253 1 398 . 1 1 37 37 PHE HB3 H 1 3.141 0.030 . 2 . . . . 37 PHE HB3 . 11253 1 399 . 1 1 37 37 PHE HD1 H 1 6.960 0.030 . 3 . . . . 37 PHE HD1 . 11253 1 400 . 1 1 37 37 PHE HD2 H 1 7.024 0.030 . 3 . . . . 37 PHE HD2 . 11253 1 401 . 1 1 37 37 PHE HE1 H 1 6.808 0.030 . 1 . . . . 37 PHE HE1 . 11253 1 402 . 1 1 37 37 PHE HE2 H 1 6.808 0.030 . 1 . . . . 37 PHE HE2 . 11253 1 403 . 1 1 37 37 PHE C C 13 176.831 0.300 . 1 . . . . 37 PHE C . 11253 1 404 . 1 1 37 37 PHE CA C 13 61.773 0.300 . 1 . . . . 37 PHE CA . 11253 1 405 . 1 1 37 37 PHE CB C 13 40.093 0.300 . 1 . . . . 37 PHE CB . 11253 1 406 . 1 1 37 37 PHE CD1 C 13 131.059 0.300 . 1 . . . . 37 PHE CD1 . 11253 1 407 . 1 1 37 37 PHE CD2 C 13 131.059 0.300 . 1 . . . . 37 PHE CD2 . 11253 1 408 . 1 1 37 37 PHE CE1 C 13 129.582 0.300 . 1 . . . . 37 PHE CE1 . 11253 1 409 . 1 1 37 37 PHE CE2 C 13 129.582 0.300 . 1 . . . . 37 PHE CE2 . 11253 1 410 . 1 1 37 37 PHE N N 15 122.267 0.300 . 1 . . . . 37 PHE N . 11253 1 411 . 1 1 38 38 ARG H H 1 8.610 0.030 . 1 . . . . 38 ARG H . 11253 1 412 . 1 1 38 38 ARG HA H 1 3.668 0.030 . 1 . . . . 38 ARG HA . 11253 1 413 . 1 1 38 38 ARG HB2 H 1 2.145 0.030 . 2 . . . . 38 ARG HB2 . 11253 1 414 . 1 1 38 38 ARG HB3 H 1 1.860 0.030 . 2 . . . . 38 ARG HB3 . 11253 1 415 . 1 1 38 38 ARG HD2 H 1 3.317 0.030 . 2 . . . . 38 ARG HD2 . 11253 1 416 . 1 1 38 38 ARG HD3 H 1 3.512 0.030 . 2 . . . . 38 ARG HD3 . 11253 1 417 . 1 1 38 38 ARG HE H 1 7.916 0.030 . 1 . . . . 38 ARG HE . 11253 1 418 . 1 1 38 38 ARG HG2 H 1 1.994 0.030 . 2 . . . . 38 ARG HG2 . 11253 1 419 . 1 1 38 38 ARG HG3 H 1 1.476 0.030 . 2 . . . . 38 ARG HG3 . 11253 1 420 . 1 1 38 38 ARG C C 13 178.652 0.300 . 1 . . . . 38 ARG C . 11253 1 421 . 1 1 38 38 ARG CA C 13 61.090 0.300 . 1 . . . . 38 ARG CA . 11253 1 422 . 1 1 38 38 ARG CB C 13 30.723 0.300 . 1 . . . . 38 ARG CB . 11253 1 423 . 1 1 38 38 ARG CD C 13 43.463 0.300 . 1 . . . . 38 ARG CD . 11253 1 424 . 1 1 38 38 ARG CG C 13 29.073 0.300 . 1 . . . . 38 ARG CG . 11253 1 425 . 1 1 38 38 ARG N N 15 117.701 0.300 . 1 . . . . 38 ARG N . 11253 1 426 . 1 1 38 38 ARG NE N 15 84.949 0.300 . 1 . . . . 38 ARG NE . 11253 1 427 . 1 1 39 39 VAL H H 1 7.214 0.030 . 1 . . . . 39 VAL H . 11253 1 428 . 1 1 39 39 VAL HA H 1 3.705 0.030 . 1 . . . . 39 VAL HA . 11253 1 429 . 1 1 39 39 VAL HB H 1 2.279 0.030 . 1 . . . . 39 VAL HB . 11253 1 430 . 1 1 39 39 VAL HG11 H 1 0.972 0.030 . 1 . . . . 39 VAL HG1 . 11253 1 431 . 1 1 39 39 VAL HG12 H 1 0.972 0.030 . 1 . . . . 39 VAL HG1 . 11253 1 432 . 1 1 39 39 VAL HG13 H 1 0.972 0.030 . 1 . . . . 39 VAL HG1 . 11253 1 433 . 1 1 39 39 VAL HG21 H 1 1.095 0.030 . 1 . . . . 39 VAL HG2 . 11253 1 434 . 1 1 39 39 VAL HG22 H 1 1.095 0.030 . 1 . . . . 39 VAL HG2 . 11253 1 435 . 1 1 39 39 VAL HG23 H 1 1.095 0.030 . 1 . . . . 39 VAL HG2 . 11253 1 436 . 1 1 39 39 VAL C C 13 178.652 0.300 . 1 . . . . 39 VAL C . 11253 1 437 . 1 1 39 39 VAL CA C 13 66.571 0.300 . 1 . . . . 39 VAL CA . 11253 1 438 . 1 1 39 39 VAL CB C 13 31.627 0.300 . 1 . . . . 39 VAL CB . 11253 1 439 . 1 1 39 39 VAL CG1 C 13 21.203 0.300 . 2 . . . . 39 VAL CG1 . 11253 1 440 . 1 1 39 39 VAL CG2 C 13 22.501 0.300 . 2 . . . . 39 VAL CG2 . 11253 1 441 . 1 1 39 39 VAL N N 15 118.943 0.300 . 1 . . . . 39 VAL N . 11253 1 442 . 1 1 40 40 LEU H H 1 7.848 0.030 . 1 . . . . 40 LEU H . 11253 1 443 . 1 1 40 40 LEU HA H 1 4.092 0.030 . 1 . . . . 40 LEU HA . 11253 1 444 . 1 1 40 40 LEU HB2 H 1 1.905 0.030 . 2 . . . . 40 LEU HB2 . 11253 1 445 . 1 1 40 40 LEU HB3 H 1 1.627 0.030 . 2 . . . . 40 LEU HB3 . 11253 1 446 . 1 1 40 40 LEU HD11 H 1 1.052 0.030 . 1 . . . . 40 LEU HD1 . 11253 1 447 . 1 1 40 40 LEU HD12 H 1 1.052 0.030 . 1 . . . . 40 LEU HD1 . 11253 1 448 . 1 1 40 40 LEU HD13 H 1 1.052 0.030 . 1 . . . . 40 LEU HD1 . 11253 1 449 . 1 1 40 40 LEU HD21 H 1 0.976 0.030 . 1 . . . . 40 LEU HD2 . 11253 1 450 . 1 1 40 40 LEU HD22 H 1 0.976 0.030 . 1 . . . . 40 LEU HD2 . 11253 1 451 . 1 1 40 40 LEU HD23 H 1 0.976 0.030 . 1 . . . . 40 LEU HD2 . 11253 1 452 . 1 1 40 40 LEU HG H 1 1.917 0.030 . 1 . . . . 40 LEU HG . 11253 1 453 . 1 1 40 40 LEU C C 13 179.726 0.300 . 1 . . . . 40 LEU C . 11253 1 454 . 1 1 40 40 LEU CA C 13 57.930 0.300 . 1 . . . . 40 LEU CA . 11253 1 455 . 1 1 40 40 LEU CB C 13 42.230 0.300 . 1 . . . . 40 LEU CB . 11253 1 456 . 1 1 40 40 LEU CD1 C 13 25.705 0.300 . 2 . . . . 40 LEU CD1 . 11253 1 457 . 1 1 40 40 LEU CD2 C 13 23.302 0.300 . 2 . . . . 40 LEU CD2 . 11253 1 458 . 1 1 40 40 LEU CG C 13 26.761 0.300 . 1 . . . . 40 LEU CG . 11253 1 459 . 1 1 40 40 LEU N N 15 120.630 0.300 . 1 . . . . 40 LEU N . 11253 1 460 . 1 1 41 41 CYS H H 1 7.687 0.030 . 1 . . . . 41 CYS H . 11253 1 461 . 1 1 41 41 CYS HA H 1 4.029 0.030 . 1 . . . . 41 CYS HA . 11253 1 462 . 1 1 41 41 CYS HB2 H 1 3.030 0.030 . 2 . . . . 41 CYS HB2 . 11253 1 463 . 1 1 41 41 CYS HB3 H 1 2.425 0.030 . 2 . . . . 41 CYS HB3 . 11253 1 464 . 1 1 41 41 CYS C C 13 177.406 0.300 . 1 . . . . 41 CYS C . 11253 1 465 . 1 1 41 41 CYS CA C 13 63.519 0.300 . 1 . . . . 41 CYS CA . 11253 1 466 . 1 1 41 41 CYS CB C 13 28.148 0.300 . 1 . . . . 41 CYS CB . 11253 1 467 . 1 1 41 41 CYS N N 15 113.354 0.300 . 1 . . . . 41 CYS N . 11253 1 468 . 1 1 42 42 GLU H H 1 7.912 0.030 . 1 . . . . 42 GLU H . 11253 1 469 . 1 1 42 42 GLU HA H 1 4.041 0.030 . 1 . . . . 42 GLU HA . 11253 1 470 . 1 1 42 42 GLU HB2 H 1 2.105 0.030 . 2 . . . . 42 GLU HB2 . 11253 1 471 . 1 1 42 42 GLU HB3 H 1 2.167 0.030 . 2 . . . . 42 GLU HB3 . 11253 1 472 . 1 1 42 42 GLU HG2 H 1 2.158 0.030 . 2 . . . . 42 GLU HG2 . 11253 1 473 . 1 1 42 42 GLU HG3 H 1 2.377 0.030 . 2 . . . . 42 GLU HG3 . 11253 1 474 . 1 1 42 42 GLU C C 13 178.901 0.300 . 1 . . . . 42 GLU C . 11253 1 475 . 1 1 42 42 GLU CA C 13 59.820 0.300 . 1 . . . . 42 GLU CA . 11253 1 476 . 1 1 42 42 GLU CB C 13 29.901 0.300 . 1 . . . . 42 GLU CB . 11253 1 477 . 1 1 42 42 GLU CG C 13 36.419 0.300 . 1 . . . . 42 GLU CG . 11253 1 478 . 1 1 42 42 GLU N N 15 124.935 0.300 . 1 . . . . 42 GLU N . 11253 1 479 . 1 1 43 43 LEU H H 1 7.688 0.030 . 1 . . . . 43 LEU H . 11253 1 480 . 1 1 43 43 LEU HA H 1 3.934 0.030 . 1 . . . . 43 LEU HA . 11253 1 481 . 1 1 43 43 LEU HB2 H 1 1.604 0.030 . 2 . . . . 43 LEU HB2 . 11253 1 482 . 1 1 43 43 LEU HB3 H 1 1.787 0.030 . 2 . . . . 43 LEU HB3 . 11253 1 483 . 1 1 43 43 LEU HD11 H 1 0.864 0.030 . 1 . . . . 43 LEU HD1 . 11253 1 484 . 1 1 43 43 LEU HD12 H 1 0.864 0.030 . 1 . . . . 43 LEU HD1 . 11253 1 485 . 1 1 43 43 LEU HD13 H 1 0.864 0.030 . 1 . . . . 43 LEU HD1 . 11253 1 486 . 1 1 43 43 LEU HD21 H 1 0.908 0.030 . 1 . . . . 43 LEU HD2 . 11253 1 487 . 1 1 43 43 LEU HD22 H 1 0.908 0.030 . 1 . . . . 43 LEU HD2 . 11253 1 488 . 1 1 43 43 LEU HD23 H 1 0.908 0.030 . 1 . . . . 43 LEU HD2 . 11253 1 489 . 1 1 43 43 LEU HG H 1 1.682 0.030 . 1 . . . . 43 LEU HG . 11253 1 490 . 1 1 43 43 LEU C C 13 179.071 0.300 . 1 . . . . 43 LEU C . 11253 1 491 . 1 1 43 43 LEU CA C 13 58.176 0.300 . 1 . . . . 43 LEU CA . 11253 1 492 . 1 1 43 43 LEU CB C 13 41.474 0.300 . 1 . . . . 43 LEU CB . 11253 1 493 . 1 1 43 43 LEU CD1 C 13 23.827 0.300 . 2 . . . . 43 LEU CD1 . 11253 1 494 . 1 1 43 43 LEU CD2 C 13 24.613 0.300 . 2 . . . . 43 LEU CD2 . 11253 1 495 . 1 1 43 43 LEU CG C 13 27.024 0.300 . 1 . . . . 43 LEU CG . 11253 1 496 . 1 1 43 43 LEU N N 15 119.728 0.300 . 1 . . . . 43 LEU N . 11253 1 497 . 1 1 44 44 GLU H H 1 7.407 0.030 . 1 . . . . 44 GLU H . 11253 1 498 . 1 1 44 44 GLU HA H 1 3.957 0.030 . 1 . . . . 44 GLU HA . 11253 1 499 . 1 1 44 44 GLU HB2 H 1 0.783 0.030 . 2 . . . . 44 GLU HB2 . 11253 1 500 . 1 1 44 44 GLU HB3 H 1 0.440 0.030 . 2 . . . . 44 GLU HB3 . 11253 1 501 . 1 1 44 44 GLU HG2 H 1 1.785 0.030 . 2 . . . . 44 GLU HG2 . 11253 1 502 . 1 1 44 44 GLU HG3 H 1 1.873 0.030 . 2 . . . . 44 GLU HG3 . 11253 1 503 . 1 1 44 44 GLU C C 13 177.799 0.300 . 1 . . . . 44 GLU C . 11253 1 504 . 1 1 44 44 GLU CA C 13 56.943 0.300 . 1 . . . . 44 GLU CA . 11253 1 505 . 1 1 44 44 GLU CB C 13 28.525 0.300 . 1 . . . . 44 GLU CB . 11253 1 506 . 1 1 44 44 GLU CG C 13 35.243 0.300 . 1 . . . . 44 GLU CG . 11253 1 507 . 1 1 44 44 GLU N N 15 113.918 0.300 . 1 . . . . 44 GLU N . 11253 1 508 . 1 1 45 45 SER H H 1 7.876 0.030 . 1 . . . . 45 SER H . 11253 1 509 . 1 1 45 45 SER HA H 1 4.155 0.030 . 1 . . . . 45 SER HA . 11253 1 510 . 1 1 45 45 SER HB2 H 1 3.870 0.030 . 2 . . . . 45 SER HB2 . 11253 1 511 . 1 1 45 45 SER HB3 H 1 4.247 0.030 . 2 . . . . 45 SER HB3 . 11253 1 512 . 1 1 45 45 SER C C 13 175.493 0.300 . 1 . . . . 45 SER C . 11253 1 513 . 1 1 45 45 SER CA C 13 60.088 0.300 . 1 . . . . 45 SER CA . 11253 1 514 . 1 1 45 45 SER CB C 13 66.155 0.300 . 1 . . . . 45 SER CB . 11253 1 515 . 1 1 45 45 SER N N 15 111.740 0.300 . 1 . . . . 45 SER N . 11253 1 516 . 1 1 46 46 GLY H H 1 8.015 0.030 . 1 . . . . 46 GLY H . 11253 1 517 . 1 1 46 46 GLY HA2 H 1 4.126 0.030 . 2 . . . . 46 GLY HA2 . 11253 1 518 . 1 1 46 46 GLY HA3 H 1 3.743 0.030 . 2 . . . . 46 GLY HA3 . 11253 1 519 . 1 1 46 46 GLY C C 13 173.762 0.300 . 1 . . . . 46 GLY C . 11253 1 520 . 1 1 46 46 GLY CA C 13 45.911 0.300 . 1 . . . . 46 GLY CA . 11253 1 521 . 1 1 46 46 GLY N N 15 111.721 0.300 . 1 . . . . 46 GLY N . 11253 1 522 . 1 1 47 47 VAL H H 1 8.323 0.030 . 1 . . . . 47 VAL H . 11253 1 523 . 1 1 47 47 VAL HA H 1 4.140 0.030 . 1 . . . . 47 VAL HA . 11253 1 524 . 1 1 47 47 VAL HB H 1 1.942 0.030 . 1 . . . . 47 VAL HB . 11253 1 525 . 1 1 47 47 VAL HG11 H 1 0.763 0.030 . 1 . . . . 47 VAL HG1 . 11253 1 526 . 1 1 47 47 VAL HG12 H 1 0.763 0.030 . 1 . . . . 47 VAL HG1 . 11253 1 527 . 1 1 47 47 VAL HG13 H 1 0.763 0.030 . 1 . . . . 47 VAL HG1 . 11253 1 528 . 1 1 47 47 VAL HG21 H 1 0.644 0.030 . 1 . . . . 47 VAL HG2 . 11253 1 529 . 1 1 47 47 VAL HG22 H 1 0.644 0.030 . 1 . . . . 47 VAL HG2 . 11253 1 530 . 1 1 47 47 VAL HG23 H 1 0.644 0.030 . 1 . . . . 47 VAL HG2 . 11253 1 531 . 1 1 47 47 VAL C C 13 172.871 0.300 . 1 . . . . 47 VAL C . 11253 1 532 . 1 1 47 47 VAL CA C 13 59.484 0.300 . 1 . . . . 47 VAL CA . 11253 1 533 . 1 1 47 47 VAL CB C 13 32.746 0.300 . 1 . . . . 47 VAL CB . 11253 1 534 . 1 1 47 47 VAL CG1 C 13 20.679 0.300 . 2 . . . . 47 VAL CG1 . 11253 1 535 . 1 1 47 47 VAL CG2 C 13 21.908 0.300 . 2 . . . . 47 VAL CG2 . 11253 1 536 . 1 1 47 47 VAL N N 15 124.254 0.300 . 1 . . . . 47 VAL N . 11253 1 537 . 1 1 48 48 PRO HA H 1 4.167 0.030 . 1 . . . . 48 PRO HA . 11253 1 538 . 1 1 48 48 PRO HB2 H 1 2.428 0.030 . 2 . . . . 48 PRO HB2 . 11253 1 539 . 1 1 48 48 PRO HB3 H 1 1.617 0.030 . 2 . . . . 48 PRO HB3 . 11253 1 540 . 1 1 48 48 PRO HD2 H 1 3.475 0.030 . 2 . . . . 48 PRO HD2 . 11253 1 541 . 1 1 48 48 PRO HD3 H 1 4.016 0.030 . 2 . . . . 48 PRO HD3 . 11253 1 542 . 1 1 48 48 PRO HG2 H 1 1.990 0.030 . 2 . . . . 48 PRO HG2 . 11253 1 543 . 1 1 48 48 PRO HG3 H 1 1.896 0.030 . 2 . . . . 48 PRO HG3 . 11253 1 544 . 1 1 48 48 PRO C C 13 178.140 0.300 . 1 . . . . 48 PRO C . 11253 1 545 . 1 1 48 48 PRO CA C 13 62.861 0.300 . 1 . . . . 48 PRO CA . 11253 1 546 . 1 1 48 48 PRO CB C 13 32.761 0.300 . 1 . . . . 48 PRO CB . 11253 1 547 . 1 1 48 48 PRO CD C 13 51.275 0.300 . 1 . . . . 48 PRO CD . 11253 1 548 . 1 1 48 48 PRO CG C 13 28.041 0.300 . 1 . . . . 48 PRO CG . 11253 1 549 . 1 1 49 49 ALA H H 1 9.605 0.030 . 1 . . . . 49 ALA H . 11253 1 550 . 1 1 49 49 ALA HA H 1 3.920 0.030 . 1 . . . . 49 ALA HA . 11253 1 551 . 1 1 49 49 ALA HB1 H 1 1.364 0.030 . 1 . . . . 49 ALA HB . 11253 1 552 . 1 1 49 49 ALA HB2 H 1 1.364 0.030 . 1 . . . . 49 ALA HB . 11253 1 553 . 1 1 49 49 ALA HB3 H 1 1.364 0.030 . 1 . . . . 49 ALA HB . 11253 1 554 . 1 1 49 49 ALA C C 13 180.264 0.300 . 1 . . . . 49 ALA C . 11253 1 555 . 1 1 49 49 ALA CA C 13 55.792 0.300 . 1 . . . . 49 ALA CA . 11253 1 556 . 1 1 49 49 ALA CB C 13 19.016 0.300 . 1 . . . . 49 ALA CB . 11253 1 557 . 1 1 49 49 ALA N N 15 127.914 0.300 . 1 . . . . 49 ALA N . 11253 1 558 . 1 1 50 50 GLU H H 1 9.136 0.030 . 1 . . . . 50 GLU H . 11253 1 559 . 1 1 50 50 GLU HA H 1 4.197 0.030 . 1 . . . . 50 GLU HA . 11253 1 560 . 1 1 50 50 GLU HB2 H 1 2.074 0.030 . 1 . . . . 50 GLU HB2 . 11253 1 561 . 1 1 50 50 GLU HB3 H 1 2.074 0.030 . 1 . . . . 50 GLU HB3 . 11253 1 562 . 1 1 50 50 GLU HG2 H 1 2.299 0.030 . 2 . . . . 50 GLU HG2 . 11253 1 563 . 1 1 50 50 GLU HG3 H 1 2.335 0.030 . 2 . . . . 50 GLU HG3 . 11253 1 564 . 1 1 50 50 GLU C C 13 177.157 0.300 . 1 . . . . 50 GLU C . 11253 1 565 . 1 1 50 50 GLU CA C 13 58.423 0.300 . 1 . . . . 50 GLU CA . 11253 1 566 . 1 1 50 50 GLU CB C 13 28.914 0.300 . 1 . . . . 50 GLU CB . 11253 1 567 . 1 1 50 50 GLU CG C 13 36.476 0.300 . 1 . . . . 50 GLU CG . 11253 1 568 . 1 1 50 50 GLU N N 15 113.534 0.300 . 1 . . . . 50 GLU N . 11253 1 569 . 1 1 51 51 GLU H H 1 8.170 0.030 . 1 . . . . 51 GLU H . 11253 1 570 . 1 1 51 51 GLU HA H 1 4.381 0.030 . 1 . . . . 51 GLU HA . 11253 1 571 . 1 1 51 51 GLU HB2 H 1 2.461 0.030 . 2 . . . . 51 GLU HB2 . 11253 1 572 . 1 1 51 51 GLU HB3 H 1 1.859 0.030 . 2 . . . . 51 GLU HB3 . 11253 1 573 . 1 1 51 51 GLU HG2 H 1 2.233 0.030 . 2 . . . . 51 GLU HG2 . 11253 1 574 . 1 1 51 51 GLU HG3 H 1 2.155 0.030 . 2 . . . . 51 GLU HG3 . 11253 1 575 . 1 1 51 51 GLU C C 13 174.418 0.300 . 1 . . . . 51 GLU C . 11253 1 576 . 1 1 51 51 GLU CA C 13 55.299 0.300 . 1 . . . . 51 GLU CA . 11253 1 577 . 1 1 51 51 GLU CB C 13 31.134 0.300 . 1 . . . . 51 GLU CB . 11253 1 578 . 1 1 51 51 GLU CG C 13 36.681 0.300 . 1 . . . . 51 GLU CG . 11253 1 579 . 1 1 51 51 GLU N N 15 117.279 0.300 . 1 . . . . 51 GLU N . 11253 1 580 . 1 1 52 52 ALA H H 1 7.307 0.030 . 1 . . . . 52 ALA H . 11253 1 581 . 1 1 52 52 ALA HA H 1 4.531 0.030 . 1 . . . . 52 ALA HA . 11253 1 582 . 1 1 52 52 ALA HB1 H 1 1.281 0.030 . 1 . . . . 52 ALA HB . 11253 1 583 . 1 1 52 52 ALA HB2 H 1 1.281 0.030 . 1 . . . . 52 ALA HB . 11253 1 584 . 1 1 52 52 ALA HB3 H 1 1.281 0.030 . 1 . . . . 52 ALA HB . 11253 1 585 . 1 1 52 52 ALA C C 13 176.305 0.300 . 1 . . . . 52 ALA C . 11253 1 586 . 1 1 52 52 ALA CA C 13 51.867 0.300 . 1 . . . . 52 ALA CA . 11253 1 587 . 1 1 52 52 ALA CB C 13 20.277 0.300 . 1 . . . . 52 ALA CB . 11253 1 588 . 1 1 52 52 ALA N N 15 122.725 0.300 . 1 . . . . 52 ALA N . 11253 1 589 . 1 1 53 53 GLN H H 1 8.669 0.030 . 1 . . . . 53 GLN H . 11253 1 590 . 1 1 53 53 GLN HA H 1 4.528 0.030 . 1 . . . . 53 GLN HA . 11253 1 591 . 1 1 53 53 GLN HB2 H 1 2.058 0.030 . 2 . . . . 53 GLN HB2 . 11253 1 592 . 1 1 53 53 GLN HB3 H 1 1.946 0.030 . 2 . . . . 53 GLN HB3 . 11253 1 593 . 1 1 53 53 GLN HE21 H 1 6.820 0.030 . 2 . . . . 53 GLN HE21 . 11253 1 594 . 1 1 53 53 GLN HE22 H 1 7.213 0.030 . 2 . . . . 53 GLN HE22 . 11253 1 595 . 1 1 53 53 GLN HG2 H 1 2.184 0.030 . 1 . . . . 53 GLN HG2 . 11253 1 596 . 1 1 53 53 GLN HG3 H 1 2.184 0.030 . 1 . . . . 53 GLN HG3 . 11253 1 597 . 1 1 53 53 GLN C C 13 174.077 0.300 . 1 . . . . 53 GLN C . 11253 1 598 . 1 1 53 53 GLN CA C 13 54.477 0.300 . 1 . . . . 53 GLN CA . 11253 1 599 . 1 1 53 53 GLN CB C 13 30.805 0.300 . 1 . . . . 53 GLN CB . 11253 1 600 . 1 1 53 53 GLN CG C 13 34.586 0.300 . 1 . . . . 53 GLN CG . 11253 1 601 . 1 1 53 53 GLN N N 15 123.114 0.300 . 1 . . . . 53 GLN N . 11253 1 602 . 1 1 53 53 GLN NE2 N 15 112.021 0.300 . 1 . . . . 53 GLN NE2 . 11253 1 603 . 1 1 54 54 ILE H H 1 8.994 0.030 . 1 . . . . 54 ILE H . 11253 1 604 . 1 1 54 54 ILE HA H 1 4.994 0.030 . 1 . . . . 54 ILE HA . 11253 1 605 . 1 1 54 54 ILE HB H 1 1.929 0.030 . 1 . . . . 54 ILE HB . 11253 1 606 . 1 1 54 54 ILE HD11 H 1 0.869 0.030 . 1 . . . . 54 ILE HD1 . 11253 1 607 . 1 1 54 54 ILE HD12 H 1 0.869 0.030 . 1 . . . . 54 ILE HD1 . 11253 1 608 . 1 1 54 54 ILE HD13 H 1 0.869 0.030 . 1 . . . . 54 ILE HD1 . 11253 1 609 . 1 1 54 54 ILE HG12 H 1 1.468 0.030 . 1 . . . . 54 ILE HG12 . 11253 1 610 . 1 1 54 54 ILE HG13 H 1 1.468 0.030 . 1 . . . . 54 ILE HG13 . 11253 1 611 . 1 1 54 54 ILE HG21 H 1 0.805 0.030 . 1 . . . . 54 ILE HG2 . 11253 1 612 . 1 1 54 54 ILE HG22 H 1 0.805 0.030 . 1 . . . . 54 ILE HG2 . 11253 1 613 . 1 1 54 54 ILE HG23 H 1 0.805 0.030 . 1 . . . . 54 ILE HG2 . 11253 1 614 . 1 1 54 54 ILE C C 13 174.077 0.300 . 1 . . . . 54 ILE C . 11253 1 615 . 1 1 54 54 ILE CA C 13 59.162 0.300 . 1 . . . . 54 ILE CA . 11253 1 616 . 1 1 54 54 ILE CB C 13 37.463 0.300 . 1 . . . . 54 ILE CB . 11253 1 617 . 1 1 54 54 ILE CD1 C 13 11.325 0.300 . 1 . . . . 54 ILE CD1 . 11253 1 618 . 1 1 54 54 ILE CG1 C 13 27.762 0.300 . 1 . . . . 54 ILE CG1 . 11253 1 619 . 1 1 54 54 ILE CG2 C 13 17.736 0.300 . 1 . . . . 54 ILE CG2 . 11253 1 620 . 1 1 54 54 ILE N N 15 124.744 0.300 . 1 . . . . 54 ILE N . 11253 1 621 . 1 1 55 55 VAL H H 1 9.631 0.030 . 1 . . . . 55 VAL H . 11253 1 622 . 1 1 55 55 VAL HA H 1 4.738 0.030 . 1 . . . . 55 VAL HA . 11253 1 623 . 1 1 55 55 VAL HB H 1 1.937 0.030 . 1 . . . . 55 VAL HB . 11253 1 624 . 1 1 55 55 VAL HG11 H 1 0.672 0.030 . 1 . . . . 55 VAL HG1 . 11253 1 625 . 1 1 55 55 VAL HG12 H 1 0.672 0.030 . 1 . . . . 55 VAL HG1 . 11253 1 626 . 1 1 55 55 VAL HG13 H 1 0.672 0.030 . 1 . . . . 55 VAL HG1 . 11253 1 627 . 1 1 55 55 VAL HG21 H 1 0.766 0.030 . 1 . . . . 55 VAL HG2 . 11253 1 628 . 1 1 55 55 VAL HG22 H 1 0.766 0.030 . 1 . . . . 55 VAL HG2 . 11253 1 629 . 1 1 55 55 VAL HG23 H 1 0.766 0.030 . 1 . . . . 55 VAL HG2 . 11253 1 630 . 1 1 55 55 VAL C C 13 175.243 0.300 . 1 . . . . 55 VAL C . 11253 1 631 . 1 1 55 55 VAL CA C 13 60.880 0.300 . 1 . . . . 55 VAL CA . 11253 1 632 . 1 1 55 55 VAL CB C 13 33.715 0.300 . 1 . . . . 55 VAL CB . 11253 1 633 . 1 1 55 55 VAL CG1 C 13 21.203 0.300 . 2 . . . . 55 VAL CG1 . 11253 1 634 . 1 1 55 55 VAL CG2 C 13 20.679 0.300 . 2 . . . . 55 VAL CG2 . 11253 1 635 . 1 1 55 55 VAL N N 15 129.235 0.300 . 1 . . . . 55 VAL N . 11253 1 636 . 1 1 56 56 TYR H H 1 9.010 0.030 . 1 . . . . 56 TYR H . 11253 1 637 . 1 1 56 56 TYR HA H 1 5.216 0.030 . 1 . . . . 56 TYR HA . 11253 1 638 . 1 1 56 56 TYR HB2 H 1 2.780 0.030 . 2 . . . . 56 TYR HB2 . 11253 1 639 . 1 1 56 56 TYR HB3 H 1 2.713 0.030 . 2 . . . . 56 TYR HB3 . 11253 1 640 . 1 1 56 56 TYR HD1 H 1 7.200 0.030 . 1 . . . . 56 TYR HD1 . 11253 1 641 . 1 1 56 56 TYR HD2 H 1 7.200 0.030 . 1 . . . . 56 TYR HD2 . 11253 1 642 . 1 1 56 56 TYR HE1 H 1 6.811 0.030 . 1 . . . . 56 TYR HE1 . 11253 1 643 . 1 1 56 56 TYR HE2 H 1 6.811 0.030 . 1 . . . . 56 TYR HE2 . 11253 1 644 . 1 1 56 56 TYR CA C 13 55.253 0.300 . 1 . . . . 56 TYR CA . 11253 1 645 . 1 1 56 56 TYR CB C 13 41.928 0.300 . 1 . . . . 56 TYR CB . 11253 1 646 . 1 1 56 56 TYR CD1 C 13 132.953 0.300 . 1 . . . . 56 TYR CD1 . 11253 1 647 . 1 1 56 56 TYR CD2 C 13 132.953 0.300 . 1 . . . . 56 TYR CD2 . 11253 1 648 . 1 1 56 56 TYR CE1 C 13 120.390 0.300 . 1 . . . . 56 TYR CE1 . 11253 1 649 . 1 1 56 56 TYR CE2 C 13 120.390 0.300 . 1 . . . . 56 TYR CE2 . 11253 1 650 . 1 1 56 56 TYR N N 15 127.295 0.300 . 1 . . . . 56 TYR N . 11253 1 651 . 1 1 57 57 MET H H 1 9.342 0.030 . 1 . . . . 57 MET H . 11253 1 652 . 1 1 57 57 MET HA H 1 3.810 0.030 . 1 . . . . 57 MET HA . 11253 1 653 . 1 1 57 57 MET HB2 H 1 1.690 0.030 . 2 . . . . 57 MET HB2 . 11253 1 654 . 1 1 57 57 MET HB3 H 1 1.851 0.030 . 2 . . . . 57 MET HB3 . 11253 1 655 . 1 1 57 57 MET HE1 H 1 1.977 0.030 . 1 . . . . 57 MET HE . 11253 1 656 . 1 1 57 57 MET HE2 H 1 1.977 0.030 . 1 . . . . 57 MET HE . 11253 1 657 . 1 1 57 57 MET HE3 H 1 1.977 0.030 . 1 . . . . 57 MET HE . 11253 1 658 . 1 1 57 57 MET HG2 H 1 1.677 0.030 . 2 . . . . 57 MET HG2 . 11253 1 659 . 1 1 57 57 MET HG3 H 1 1.485 0.030 . 2 . . . . 57 MET HG3 . 11253 1 660 . 1 1 57 57 MET CA C 13 56.446 0.300 . 1 . . . . 57 MET CA . 11253 1 661 . 1 1 57 57 MET CB C 13 29.073 0.300 . 1 . . . . 57 MET CB . 11253 1 662 . 1 1 57 57 MET CE C 13 16.483 0.300 . 1 . . . . 57 MET CE . 11253 1 663 . 1 1 57 57 MET CG C 13 31.172 0.300 . 1 . . . . 57 MET CG . 11253 1 664 . 1 1 57 57 MET N N 15 128.196 0.300 . 1 . . . . 57 MET N . 11253 1 665 . 1 1 58 58 GLU H H 1 8.444 0.030 . 1 . . . . 58 GLU H . 11253 1 666 . 1 1 58 58 GLU HA H 1 3.584 0.030 . 1 . . . . 58 GLU HA . 11253 1 667 . 1 1 58 58 GLU HB2 H 1 2.243 0.030 . 1 . . . . 58 GLU HB2 . 11253 1 668 . 1 1 58 58 GLU HB3 H 1 2.243 0.030 . 1 . . . . 58 GLU HB3 . 11253 1 669 . 1 1 58 58 GLU HG2 H 1 2.160 0.030 . 2 . . . . 58 GLU HG2 . 11253 1 670 . 1 1 58 58 GLU HG3 H 1 2.096 0.030 . 2 . . . . 58 GLU HG3 . 11253 1 671 . 1 1 58 58 GLU C C 13 175.052 0.300 . 1 . . . . 58 GLU C . 11253 1 672 . 1 1 58 58 GLU CA C 13 57.990 0.300 . 1 . . . . 58 GLU CA . 11253 1 673 . 1 1 58 58 GLU CB C 13 27.761 0.300 . 1 . . . . 58 GLU CB . 11253 1 674 . 1 1 58 58 GLU CG C 13 36.641 0.300 . 1 . . . . 58 GLU CG . 11253 1 675 . 1 1 58 58 GLU N N 15 108.195 0.300 . 1 . . . . 58 GLU N . 11253 1 676 . 1 1 59 59 GLN H H 1 7.970 0.030 . 1 . . . . 59 GLN H . 11253 1 677 . 1 1 59 59 GLN HA H 1 4.598 0.030 . 1 . . . . 59 GLN HA . 11253 1 678 . 1 1 59 59 GLN HB2 H 1 2.093 0.030 . 2 . . . . 59 GLN HB2 . 11253 1 679 . 1 1 59 59 GLN HB3 H 1 2.173 0.030 . 2 . . . . 59 GLN HB3 . 11253 1 680 . 1 1 59 59 GLN HE21 H 1 7.501 0.030 . 2 . . . . 59 GLN HE21 . 11253 1 681 . 1 1 59 59 GLN HE22 H 1 7.023 0.030 . 2 . . . . 59 GLN HE22 . 11253 1 682 . 1 1 59 59 GLN HG2 H 1 2.438 0.030 . 2 . . . . 59 GLN HG2 . 11253 1 683 . 1 1 59 59 GLN HG3 H 1 2.340 0.030 . 2 . . . . 59 GLN HG3 . 11253 1 684 . 1 1 59 59 GLN C C 13 174.287 0.300 . 1 . . . . 59 GLN C . 11253 1 685 . 1 1 59 59 GLN CA C 13 54.066 0.300 . 1 . . . . 59 GLN CA . 11253 1 686 . 1 1 59 59 GLN CB C 13 30.887 0.300 . 1 . . . . 59 GLN CB . 11253 1 687 . 1 1 59 59 GLN CG C 13 33.764 0.300 . 1 . . . . 59 GLN CG . 11253 1 688 . 1 1 59 59 GLN N N 15 120.412 0.300 . 1 . . . . 59 GLN N . 11253 1 689 . 1 1 59 59 GLN NE2 N 15 111.881 0.300 . 1 . . . . 59 GLN NE2 . 11253 1 690 . 1 1 60 60 LEU H H 1 8.548 0.030 . 1 . . . . 60 LEU H . 11253 1 691 . 1 1 60 60 LEU HA H 1 4.506 0.030 . 1 . . . . 60 LEU HA . 11253 1 692 . 1 1 60 60 LEU HB2 H 1 1.534 0.030 . 1 . . . . 60 LEU HB2 . 11253 1 693 . 1 1 60 60 LEU HB3 H 1 1.534 0.030 . 1 . . . . 60 LEU HB3 . 11253 1 694 . 1 1 60 60 LEU HD11 H 1 0.889 0.030 . 1 . . . . 60 LEU HD1 . 11253 1 695 . 1 1 60 60 LEU HD12 H 1 0.889 0.030 . 1 . . . . 60 LEU HD1 . 11253 1 696 . 1 1 60 60 LEU HD13 H 1 0.889 0.030 . 1 . . . . 60 LEU HD1 . 11253 1 697 . 1 1 60 60 LEU HD21 H 1 0.814 0.030 . 1 . . . . 60 LEU HD2 . 11253 1 698 . 1 1 60 60 LEU HD22 H 1 0.814 0.030 . 1 . . . . 60 LEU HD2 . 11253 1 699 . 1 1 60 60 LEU HD23 H 1 0.814 0.030 . 1 . . . . 60 LEU HD2 . 11253 1 700 . 1 1 60 60 LEU HG H 1 1.468 0.030 . 1 . . . . 60 LEU HG . 11253 1 701 . 1 1 60 60 LEU C C 13 177.026 0.300 . 1 . . . . 60 LEU C . 11253 1 702 . 1 1 60 60 LEU CA C 13 55.331 0.300 . 1 . . . . 60 LEU CA . 11253 1 703 . 1 1 60 60 LEU CB C 13 42.515 0.300 . 1 . . . . 60 LEU CB . 11253 1 704 . 1 1 60 60 LEU CD1 C 13 24.613 0.300 . 2 . . . . 60 LEU CD1 . 11253 1 705 . 1 1 60 60 LEU CD2 C 13 25.401 0.300 . 2 . . . . 60 LEU CD2 . 11253 1 706 . 1 1 60 60 LEU CG C 13 27.499 0.300 . 1 . . . . 60 LEU CG . 11253 1 707 . 1 1 60 60 LEU N N 15 125.769 0.300 . 1 . . . . 60 LEU N . 11253 1 708 . 1 1 61 61 LEU H H 1 8.841 0.030 . 1 . . . . 61 LEU H . 11253 1 709 . 1 1 61 61 LEU HA H 1 4.403 0.030 . 1 . . . . 61 LEU HA . 11253 1 710 . 1 1 61 61 LEU HB2 H 1 1.660 0.030 . 2 . . . . 61 LEU HB2 . 11253 1 711 . 1 1 61 61 LEU HB3 H 1 0.740 0.030 . 2 . . . . 61 LEU HB3 . 11253 1 712 . 1 1 61 61 LEU HD11 H 1 0.194 0.030 . 1 . . . . 61 LEU HD1 . 11253 1 713 . 1 1 61 61 LEU HD12 H 1 0.194 0.030 . 1 . . . . 61 LEU HD1 . 11253 1 714 . 1 1 61 61 LEU HD13 H 1 0.194 0.030 . 1 . . . . 61 LEU HD1 . 11253 1 715 . 1 1 61 61 LEU HD21 H 1 0.399 0.030 . 1 . . . . 61 LEU HD2 . 11253 1 716 . 1 1 61 61 LEU HD22 H 1 0.399 0.030 . 1 . . . . 61 LEU HD2 . 11253 1 717 . 1 1 61 61 LEU HD23 H 1 0.399 0.030 . 1 . . . . 61 LEU HD2 . 11253 1 718 . 1 1 61 61 LEU HG H 1 1.484 0.030 . 1 . . . . 61 LEU HG . 11253 1 719 . 1 1 61 61 LEU C C 13 177.590 0.300 . 1 . . . . 61 LEU C . 11253 1 720 . 1 1 61 61 LEU CA C 13 54.405 0.300 . 1 . . . . 61 LEU CA . 11253 1 721 . 1 1 61 61 LEU CB C 13 39.929 0.300 . 1 . . . . 61 LEU CB . 11253 1 722 . 1 1 61 61 LEU CD1 C 13 24.071 0.300 . 2 . . . . 61 LEU CD1 . 11253 1 723 . 1 1 61 61 LEU CD2 C 13 20.941 0.300 . 2 . . . . 61 LEU CD2 . 11253 1 724 . 1 1 61 61 LEU CG C 13 25.873 0.300 . 1 . . . . 61 LEU CG . 11253 1 725 . 1 1 61 61 LEU N N 15 126.662 0.300 . 1 . . . . 61 LEU N . 11253 1 726 . 1 1 62 62 THR H H 1 8.220 0.030 . 1 . . . . 62 THR H . 11253 1 727 . 1 1 62 62 THR HA H 1 4.524 0.030 . 1 . . . . 62 THR HA . 11253 1 728 . 1 1 62 62 THR HB H 1 4.454 0.030 . 1 . . . . 62 THR HB . 11253 1 729 . 1 1 62 62 THR HG21 H 1 1.145 0.030 . 1 . . . . 62 THR HG2 . 11253 1 730 . 1 1 62 62 THR HG22 H 1 1.145 0.030 . 1 . . . . 62 THR HG2 . 11253 1 731 . 1 1 62 62 THR HG23 H 1 1.145 0.030 . 1 . . . . 62 THR HG2 . 11253 1 732 . 1 1 62 62 THR C C 13 174.313 0.300 . 1 . . . . 62 THR C . 11253 1 733 . 1 1 62 62 THR CA C 13 62.142 0.300 . 1 . . . . 62 THR CA . 11253 1 734 . 1 1 62 62 THR CB C 13 70.569 0.300 . 1 . . . . 62 THR CB . 11253 1 735 . 1 1 62 62 THR CG2 C 13 21.681 0.300 . 1 . . . . 62 THR CG2 . 11253 1 736 . 1 1 62 62 THR N N 15 112.404 0.300 . 1 . . . . 62 THR N . 11253 1 737 . 1 1 63 63 ASP H H 1 7.764 0.030 . 1 . . . . 63 ASP H . 11253 1 738 . 1 1 63 63 ASP HA H 1 4.997 0.030 . 1 . . . . 63 ASP HA . 11253 1 739 . 1 1 63 63 ASP HB2 H 1 3.223 0.030 . 2 . . . . 63 ASP HB2 . 11253 1 740 . 1 1 63 63 ASP HB3 H 1 2.657 0.030 . 2 . . . . 63 ASP HB3 . 11253 1 741 . 1 1 63 63 ASP C C 13 176.843 0.300 . 1 . . . . 63 ASP C . 11253 1 742 . 1 1 63 63 ASP CA C 13 53.242 0.300 . 1 . . . . 63 ASP CA . 11253 1 743 . 1 1 63 63 ASP CB C 13 40.932 0.300 . 1 . . . . 63 ASP CB . 11253 1 744 . 1 1 63 63 ASP N N 15 121.826 0.300 . 1 . . . . 63 ASP N . 11253 1 745 . 1 1 64 64 ASP H H 1 8.671 0.030 . 1 . . . . 64 ASP H . 11253 1 746 . 1 1 64 64 ASP HA H 1 4.481 0.030 . 1 . . . . 64 ASP HA . 11253 1 747 . 1 1 64 64 ASP HB2 H 1 2.360 0.030 . 1 . . . . 64 ASP HB2 . 11253 1 748 . 1 1 64 64 ASP HB3 H 1 2.360 0.030 . 1 . . . . 64 ASP HB3 . 11253 1 749 . 1 1 64 64 ASP C C 13 176.725 0.300 . 1 . . . . 64 ASP C . 11253 1 750 . 1 1 64 64 ASP CA C 13 57.025 0.300 . 1 . . . . 64 ASP CA . 11253 1 751 . 1 1 64 64 ASP CB C 13 41.737 0.300 . 1 . . . . 64 ASP CB . 11253 1 752 . 1 1 64 64 ASP N N 15 126.876 0.300 . 1 . . . . 64 ASP N . 11253 1 753 . 1 1 65 65 HIS H H 1 8.464 0.030 . 1 . . . . 65 HIS H . 11253 1 754 . 1 1 65 65 HIS HA H 1 5.029 0.030 . 1 . . . . 65 HIS HA . 11253 1 755 . 1 1 65 65 HIS HB2 H 1 3.467 0.030 . 2 . . . . 65 HIS HB2 . 11253 1 756 . 1 1 65 65 HIS HB3 H 1 3.176 0.030 . 2 . . . . 65 HIS HB3 . 11253 1 757 . 1 1 65 65 HIS HD2 H 1 7.410 0.030 . 1 . . . . 65 HIS HD2 . 11253 1 758 . 1 1 65 65 HIS C C 13 173.946 0.300 . 1 . . . . 65 HIS C . 11253 1 759 . 1 1 65 65 HIS CA C 13 54.704 0.300 . 1 . . . . 65 HIS CA . 11253 1 760 . 1 1 65 65 HIS CB C 13 28.409 0.300 . 1 . . . . 65 HIS CB . 11253 1 761 . 1 1 65 65 HIS CD2 C 13 120.382 0.300 . 1 . . . . 65 HIS CD2 . 11253 1 762 . 1 1 65 65 HIS N N 15 113.811 0.300 . 1 . . . . 65 HIS N . 11253 1 763 . 1 1 66 66 CYS H H 1 7.393 0.030 . 1 . . . . 66 CYS H . 11253 1 764 . 1 1 66 66 CYS HA H 1 4.446 0.030 . 1 . . . . 66 CYS HA . 11253 1 765 . 1 1 66 66 CYS HB2 H 1 2.837 0.030 . 2 . . . . 66 CYS HB2 . 11253 1 766 . 1 1 66 66 CYS HB3 H 1 2.628 0.030 . 2 . . . . 66 CYS HB3 . 11253 1 767 . 1 1 66 66 CYS C C 13 173.880 0.300 . 1 . . . . 66 CYS C . 11253 1 768 . 1 1 66 66 CYS CA C 13 58.695 0.300 . 1 . . . . 66 CYS CA . 11253 1 769 . 1 1 66 66 CYS CB C 13 28.269 0.300 . 1 . . . . 66 CYS CB . 11253 1 770 . 1 1 66 66 CYS N N 15 120.174 0.300 . 1 . . . . 66 CYS N . 11253 1 771 . 1 1 67 67 SER H H 1 8.783 0.030 . 1 . . . . 67 SER H . 11253 1 772 . 1 1 67 67 SER HA H 1 5.006 0.030 . 1 . . . . 67 SER HA . 11253 1 773 . 1 1 67 67 SER HB2 H 1 4.590 0.030 . 2 . . . . 67 SER HB2 . 11253 1 774 . 1 1 67 67 SER HB3 H 1 3.987 0.030 . 2 . . . . 67 SER HB3 . 11253 1 775 . 1 1 67 67 SER C C 13 176.056 0.300 . 1 . . . . 67 SER C . 11253 1 776 . 1 1 67 67 SER CA C 13 57.061 0.300 . 1 . . . . 67 SER CA . 11253 1 777 . 1 1 67 67 SER CB C 13 65.109 0.300 . 1 . . . . 67 SER CB . 11253 1 778 . 1 1 67 67 SER N N 15 121.848 0.300 . 1 . . . . 67 SER N . 11253 1 779 . 1 1 68 68 LEU H H 1 8.728 0.030 . 1 . . . . 68 LEU H . 11253 1 780 . 1 1 68 68 LEU HA H 1 4.073 0.030 . 1 . . . . 68 LEU HA . 11253 1 781 . 1 1 68 68 LEU HB2 H 1 1.706 0.030 . 2 . . . . 68 LEU HB2 . 11253 1 782 . 1 1 68 68 LEU HB3 H 1 1.129 0.030 . 2 . . . . 68 LEU HB3 . 11253 1 783 . 1 1 68 68 LEU HD11 H 1 0.560 0.030 . 1 . . . . 68 LEU HD1 . 11253 1 784 . 1 1 68 68 LEU HD12 H 1 0.560 0.030 . 1 . . . . 68 LEU HD1 . 11253 1 785 . 1 1 68 68 LEU HD13 H 1 0.560 0.030 . 1 . . . . 68 LEU HD1 . 11253 1 786 . 1 1 68 68 LEU HD21 H 1 0.301 0.030 . 1 . . . . 68 LEU HD2 . 11253 1 787 . 1 1 68 68 LEU HD22 H 1 0.301 0.030 . 1 . . . . 68 LEU HD2 . 11253 1 788 . 1 1 68 68 LEU HD23 H 1 0.301 0.030 . 1 . . . . 68 LEU HD2 . 11253 1 789 . 1 1 68 68 LEU HG H 1 1.953 0.030 . 1 . . . . 68 LEU HG . 11253 1 790 . 1 1 68 68 LEU C C 13 180.028 0.300 . 1 . . . . 68 LEU C . 11253 1 791 . 1 1 68 68 LEU CA C 13 58.162 0.300 . 1 . . . . 68 LEU CA . 11253 1 792 . 1 1 68 68 LEU CB C 13 40.882 0.300 . 1 . . . . 68 LEU CB . 11253 1 793 . 1 1 68 68 LEU CD1 C 13 26.071 0.300 . 2 . . . . 68 LEU CD1 . 11253 1 794 . 1 1 68 68 LEU CD2 C 13 20.174 0.300 . 2 . . . . 68 LEU CD2 . 11253 1 795 . 1 1 68 68 LEU CG C 13 26.382 0.300 . 1 . . . . 68 LEU CG . 11253 1 796 . 1 1 68 68 LEU N N 15 119.594 0.300 . 1 . . . . 68 LEU N . 11253 1 797 . 1 1 69 69 GLY H H 1 9.674 0.030 . 1 . . . . 69 GLY H . 11253 1 798 . 1 1 69 69 GLY HA2 H 1 3.876 0.030 . 2 . . . . 69 GLY HA2 . 11253 1 799 . 1 1 69 69 GLY HA3 H 1 3.966 0.030 . 2 . . . . 69 GLY HA3 . 11253 1 800 . 1 1 69 69 GLY C C 13 178.468 0.300 . 1 . . . . 69 GLY C . 11253 1 801 . 1 1 69 69 GLY CA C 13 46.699 0.300 . 1 . . . . 69 GLY CA . 11253 1 802 . 1 1 69 69 GLY N N 15 106.029 0.300 . 1 . . . . 69 GLY N . 11253 1 803 . 1 1 70 70 SER H H 1 8.210 0.030 . 1 . . . . 70 SER H . 11253 1 804 . 1 1 70 70 SER HA H 1 4.212 0.030 . 1 . . . . 70 SER HA . 11253 1 805 . 1 1 70 70 SER HB2 H 1 3.936 0.030 . 2 . . . . 70 SER HB2 . 11253 1 806 . 1 1 70 70 SER HB3 H 1 3.808 0.030 . 2 . . . . 70 SER HB3 . 11253 1 807 . 1 1 70 70 SER C C 13 176.226 0.300 . 1 . . . . 70 SER C . 11253 1 808 . 1 1 70 70 SER CA C 13 61.842 0.300 . 1 . . . . 70 SER CA . 11253 1 809 . 1 1 70 70 SER CB C 13 62.934 0.300 . 1 . . . . 70 SER CB . 11253 1 810 . 1 1 70 70 SER N N 15 121.170 0.300 . 1 . . . . 70 SER N . 11253 1 811 . 1 1 71 71 TYR H H 1 7.536 0.030 . 1 . . . . 71 TYR H . 11253 1 812 . 1 1 71 71 TYR HA H 1 4.575 0.030 . 1 . . . . 71 TYR HA . 11253 1 813 . 1 1 71 71 TYR HB2 H 1 3.150 0.030 . 2 . . . . 71 TYR HB2 . 11253 1 814 . 1 1 71 71 TYR HB3 H 1 2.847 0.030 . 2 . . . . 71 TYR HB3 . 11253 1 815 . 1 1 71 71 TYR HD1 H 1 7.201 0.030 . 1 . . . . 71 TYR HD1 . 11253 1 816 . 1 1 71 71 TYR HD2 H 1 7.201 0.030 . 1 . . . . 71 TYR HD2 . 11253 1 817 . 1 1 71 71 TYR HE1 H 1 6.922 0.030 . 1 . . . . 71 TYR HE1 . 11253 1 818 . 1 1 71 71 TYR HE2 H 1 6.922 0.030 . 1 . . . . 71 TYR HE2 . 11253 1 819 . 1 1 71 71 TYR C C 13 175.702 0.300 . 1 . . . . 71 TYR C . 11253 1 820 . 1 1 71 71 TYR CA C 13 60.368 0.300 . 1 . . . . 71 TYR CA . 11253 1 821 . 1 1 71 71 TYR CB C 13 39.334 0.300 . 1 . . . . 71 TYR CB . 11253 1 822 . 1 1 71 71 TYR CD1 C 13 133.401 0.300 . 1 . . . . 71 TYR CD1 . 11253 1 823 . 1 1 71 71 TYR CD2 C 13 133.401 0.300 . 1 . . . . 71 TYR CD2 . 11253 1 824 . 1 1 71 71 TYR CE1 C 13 118.669 0.300 . 1 . . . . 71 TYR CE1 . 11253 1 825 . 1 1 71 71 TYR CE2 C 13 118.669 0.300 . 1 . . . . 71 TYR CE2 . 11253 1 826 . 1 1 71 71 TYR N N 15 119.882 0.300 . 1 . . . . 71 TYR N . 11253 1 827 . 1 1 72 72 GLY H H 1 7.754 0.030 . 1 . . . . 72 GLY H . 11253 1 828 . 1 1 72 72 GLY HA2 H 1 4.433 0.030 . 2 . . . . 72 GLY HA2 . 11253 1 829 . 1 1 72 72 GLY HA3 H 1 3.677 0.030 . 2 . . . . 72 GLY HA3 . 11253 1 830 . 1 1 72 72 GLY C C 13 173.553 0.300 . 1 . . . . 72 GLY C . 11253 1 831 . 1 1 72 72 GLY CA C 13 44.784 0.300 . 1 . . . . 72 GLY CA . 11253 1 832 . 1 1 72 72 GLY N N 15 105.524 0.300 . 1 . . . . 72 GLY N . 11253 1 833 . 1 1 73 73 LEU H H 1 6.840 0.030 . 1 . . . . 73 LEU H . 11253 1 834 . 1 1 73 73 LEU HA H 1 4.062 0.030 . 1 . . . . 73 LEU HA . 11253 1 835 . 1 1 73 73 LEU HB2 H 1 1.038 0.030 . 1 . . . . 73 LEU HB2 . 11253 1 836 . 1 1 73 73 LEU HB3 H 1 1.038 0.030 . 1 . . . . 73 LEU HB3 . 11253 1 837 . 1 1 73 73 LEU HD11 H 1 0.177 0.030 . 1 . . . . 73 LEU HD1 . 11253 1 838 . 1 1 73 73 LEU HD12 H 1 0.177 0.030 . 1 . . . . 73 LEU HD1 . 11253 1 839 . 1 1 73 73 LEU HD13 H 1 0.177 0.030 . 1 . . . . 73 LEU HD1 . 11253 1 840 . 1 1 73 73 LEU HD21 H 1 0.075 0.030 . 1 . . . . 73 LEU HD2 . 11253 1 841 . 1 1 73 73 LEU HD22 H 1 0.075 0.030 . 1 . . . . 73 LEU HD2 . 11253 1 842 . 1 1 73 73 LEU HD23 H 1 0.075 0.030 . 1 . . . . 73 LEU HD2 . 11253 1 843 . 1 1 73 73 LEU HG H 1 0.780 0.030 . 1 . . . . 73 LEU HG . 11253 1 844 . 1 1 73 73 LEU C C 13 175.519 0.300 . 1 . . . . 73 LEU C . 11253 1 845 . 1 1 73 73 LEU CA C 13 57.099 0.300 . 1 . . . . 73 LEU CA . 11253 1 846 . 1 1 73 73 LEU CB C 13 42.485 0.300 . 1 . . . . 73 LEU CB . 11253 1 847 . 1 1 73 73 LEU CD1 C 13 25.068 0.300 . 2 . . . . 73 LEU CD1 . 11253 1 848 . 1 1 73 73 LEU CD2 C 13 25.215 0.300 . 2 . . . . 73 LEU CD2 . 11253 1 849 . 1 1 73 73 LEU CG C 13 29.830 0.300 . 1 . . . . 73 LEU CG . 11253 1 850 . 1 1 73 73 LEU N N 15 120.225 0.300 . 1 . . . . 73 LEU N . 11253 1 851 . 1 1 74 74 LYS H H 1 8.481 0.030 . 1 . . . . 74 LYS H . 11253 1 852 . 1 1 74 74 LYS HA H 1 4.619 0.030 . 1 . . . . 74 LYS HA . 11253 1 853 . 1 1 74 74 LYS HB2 H 1 1.719 0.030 . 1 . . . . 74 LYS HB2 . 11253 1 854 . 1 1 74 74 LYS HB3 H 1 1.719 0.030 . 1 . . . . 74 LYS HB3 . 11253 1 855 . 1 1 74 74 LYS HD2 H 1 1.696 0.030 . 1 . . . . 74 LYS HD2 . 11253 1 856 . 1 1 74 74 LYS HD3 H 1 1.696 0.030 . 1 . . . . 74 LYS HD3 . 11253 1 857 . 1 1 74 74 LYS HE2 H 1 3.097 0.030 . 1 . . . . 74 LYS HE2 . 11253 1 858 . 1 1 74 74 LYS HE3 H 1 3.097 0.030 . 1 . . . . 74 LYS HE3 . 11253 1 859 . 1 1 74 74 LYS HG2 H 1 1.377 0.030 . 2 . . . . 74 LYS HG2 . 11253 1 860 . 1 1 74 74 LYS HG3 H 1 1.554 0.030 . 2 . . . . 74 LYS HG3 . 11253 1 861 . 1 1 74 74 LYS C C 13 174.719 0.300 . 1 . . . . 74 LYS C . 11253 1 862 . 1 1 74 74 LYS CA C 13 54.149 0.300 . 1 . . . . 74 LYS CA . 11253 1 863 . 1 1 74 74 LYS CB C 13 35.819 0.300 . 1 . . . . 74 LYS CB . 11253 1 864 . 1 1 74 74 LYS CD C 13 28.750 0.300 . 1 . . . . 74 LYS CD . 11253 1 865 . 1 1 74 74 LYS CE C 13 42.312 0.300 . 1 . . . . 74 LYS CE . 11253 1 866 . 1 1 74 74 LYS CG C 13 22.914 0.300 . 1 . . . . 74 LYS CG . 11253 1 867 . 1 1 74 74 LYS N N 15 119.402 0.300 . 1 . . . . 74 LYS N . 11253 1 868 . 1 1 75 75 ASP H H 1 8.215 0.030 . 1 . . . . 75 ASP H . 11253 1 869 . 1 1 75 75 ASP HA H 1 4.175 0.030 . 1 . . . . 75 ASP HA . 11253 1 870 . 1 1 75 75 ASP HB2 H 1 2.601 0.030 . 2 . . . . 75 ASP HB2 . 11253 1 871 . 1 1 75 75 ASP HB3 H 1 2.737 0.030 . 2 . . . . 75 ASP HB3 . 11253 1 872 . 1 1 75 75 ASP C C 13 177.131 0.300 . 1 . . . . 75 ASP C . 11253 1 873 . 1 1 75 75 ASP CA C 13 56.642 0.300 . 1 . . . . 75 ASP CA . 11253 1 874 . 1 1 75 75 ASP CB C 13 42.269 0.300 . 1 . . . . 75 ASP CB . 11253 1 875 . 1 1 75 75 ASP N N 15 116.480 0.300 . 1 . . . . 75 ASP N . 11253 1 876 . 1 1 76 76 GLY H H 1 9.231 0.030 . 1 . . . . 76 GLY H . 11253 1 877 . 1 1 76 76 GLY HA2 H 1 4.386 0.030 . 2 . . . . 76 GLY HA2 . 11253 1 878 . 1 1 76 76 GLY HA3 H 1 3.741 0.030 . 2 . . . . 76 GLY HA3 . 11253 1 879 . 1 1 76 76 GLY C C 13 174.942 0.300 . 1 . . . . 76 GLY C . 11253 1 880 . 1 1 76 76 GLY CA C 13 45.205 0.300 . 1 . . . . 76 GLY CA . 11253 1 881 . 1 1 76 76 GLY N N 15 115.548 0.300 . 1 . . . . 76 GLY N . 11253 1 882 . 1 1 77 77 ASP H H 1 8.119 0.030 . 1 . . . . 77 ASP H . 11253 1 883 . 1 1 77 77 ASP HA H 1 4.845 0.030 . 1 . . . . 77 ASP HA . 11253 1 884 . 1 1 77 77 ASP HB2 H 1 3.091 0.030 . 2 . . . . 77 ASP HB2 . 11253 1 885 . 1 1 77 77 ASP HB3 H 1 2.702 0.030 . 2 . . . . 77 ASP HB3 . 11253 1 886 . 1 1 77 77 ASP C C 13 174.156 0.300 . 1 . . . . 77 ASP C . 11253 1 887 . 1 1 77 77 ASP CA C 13 54.987 0.300 . 1 . . . . 77 ASP CA . 11253 1 888 . 1 1 77 77 ASP CB C 13 42.977 0.300 . 1 . . . . 77 ASP CB . 11253 1 889 . 1 1 77 77 ASP N N 15 121.973 0.300 . 1 . . . . 77 ASP N . 11253 1 890 . 1 1 78 78 MET H H 1 8.409 0.030 . 1 . . . . 78 MET H . 11253 1 891 . 1 1 78 78 MET HA H 1 5.826 0.030 . 1 . . . . 78 MET HA . 11253 1 892 . 1 1 78 78 MET HB2 H 1 2.071 0.030 . 1 . . . . 78 MET HB2 . 11253 1 893 . 1 1 78 78 MET HB3 H 1 2.071 0.030 . 1 . . . . 78 MET HB3 . 11253 1 894 . 1 1 78 78 MET HE1 H 1 1.978 0.030 . 1 . . . . 78 MET HE . 11253 1 895 . 1 1 78 78 MET HE2 H 1 1.978 0.030 . 1 . . . . 78 MET HE . 11253 1 896 . 1 1 78 78 MET HE3 H 1 1.978 0.030 . 1 . . . . 78 MET HE . 11253 1 897 . 1 1 78 78 MET HG2 H 1 2.461 0.030 . 1 . . . . 78 MET HG2 . 11253 1 898 . 1 1 78 78 MET HG3 H 1 2.461 0.030 . 1 . . . . 78 MET HG3 . 11253 1 899 . 1 1 78 78 MET CA C 13 53.409 0.300 . 1 . . . . 78 MET CA . 11253 1 900 . 1 1 78 78 MET CB C 13 36.158 0.300 . 1 . . . . 78 MET CB . 11253 1 901 . 1 1 78 78 MET CE C 13 17.152 0.300 . 1 . . . . 78 MET CE . 11253 1 902 . 1 1 78 78 MET CG C 13 31.738 0.300 . 1 . . . . 78 MET CG . 11253 1 903 . 1 1 78 78 MET N N 15 117.393 0.300 . 1 . . . . 78 MET N . 11253 1 904 . 1 1 79 79 VAL H H 1 8.981 0.030 . 1 . . . . 79 VAL H . 11253 1 905 . 1 1 79 79 VAL HA H 1 4.969 0.030 . 1 . . . . 79 VAL HA . 11253 1 906 . 1 1 79 79 VAL HB H 1 2.146 0.030 . 1 . . . . 79 VAL HB . 11253 1 907 . 1 1 79 79 VAL HG11 H 1 0.792 0.030 . 1 . . . . 79 VAL HG1 . 11253 1 908 . 1 1 79 79 VAL HG12 H 1 0.792 0.030 . 1 . . . . 79 VAL HG1 . 11253 1 909 . 1 1 79 79 VAL HG13 H 1 0.792 0.030 . 1 . . . . 79 VAL HG1 . 11253 1 910 . 1 1 79 79 VAL HG21 H 1 0.837 0.030 . 1 . . . . 79 VAL HG2 . 11253 1 911 . 1 1 79 79 VAL HG22 H 1 0.837 0.030 . 1 . . . . 79 VAL HG2 . 11253 1 912 . 1 1 79 79 VAL HG23 H 1 0.837 0.030 . 1 . . . . 79 VAL HG2 . 11253 1 913 . 1 1 79 79 VAL CA C 13 59.258 0.300 . 1 . . . . 79 VAL CA . 11253 1 914 . 1 1 79 79 VAL CB C 13 34.997 0.300 . 1 . . . . 79 VAL CB . 11253 1 915 . 1 1 79 79 VAL CG1 C 13 22.421 0.300 . 2 . . . . 79 VAL CG1 . 11253 1 916 . 1 1 79 79 VAL CG2 C 13 20.679 0.300 . 2 . . . . 79 VAL CG2 . 11253 1 917 . 1 1 79 79 VAL N N 15 116.924 0.300 . 1 . . . . 79 VAL N . 11253 1 918 . 1 1 80 80 VAL H H 1 8.862 0.030 . 1 . . . . 80 VAL H . 11253 1 919 . 1 1 80 80 VAL HA H 1 5.133 0.030 . 1 . . . . 80 VAL HA . 11253 1 920 . 1 1 80 80 VAL HB H 1 1.975 0.030 . 1 . . . . 80 VAL HB . 11253 1 921 . 1 1 80 80 VAL HG11 H 1 0.980 0.030 . 1 . . . . 80 VAL HG1 . 11253 1 922 . 1 1 80 80 VAL HG12 H 1 0.980 0.030 . 1 . . . . 80 VAL HG1 . 11253 1 923 . 1 1 80 80 VAL HG13 H 1 0.980 0.030 . 1 . . . . 80 VAL HG1 . 11253 1 924 . 1 1 80 80 VAL HG21 H 1 1.063 0.030 . 1 . . . . 80 VAL HG2 . 11253 1 925 . 1 1 80 80 VAL HG22 H 1 1.063 0.030 . 1 . . . . 80 VAL HG2 . 11253 1 926 . 1 1 80 80 VAL HG23 H 1 1.063 0.030 . 1 . . . . 80 VAL HG2 . 11253 1 927 . 1 1 80 80 VAL C C 13 173.736 0.300 . 1 . . . . 80 VAL C . 11253 1 928 . 1 1 80 80 VAL CA C 13 60.724 0.300 . 1 . . . . 80 VAL CA . 11253 1 929 . 1 1 80 80 VAL CB C 13 34.275 0.300 . 1 . . . . 80 VAL CB . 11253 1 930 . 1 1 80 80 VAL CG1 C 13 20.941 0.300 . 2 . . . . 80 VAL CG1 . 11253 1 931 . 1 1 80 80 VAL CG2 C 13 22.072 0.300 . 2 . . . . 80 VAL CG2 . 11253 1 932 . 1 1 80 80 VAL N N 15 123.084 0.300 . 1 . . . . 80 VAL N . 11253 1 933 . 1 1 81 81 LEU H H 1 9.094 0.030 . 1 . . . . 81 LEU H . 11253 1 934 . 1 1 81 81 LEU HA H 1 5.308 0.030 . 1 . . . . 81 LEU HA . 11253 1 935 . 1 1 81 81 LEU HB2 H 1 1.562 0.030 . 2 . . . . 81 LEU HB2 . 11253 1 936 . 1 1 81 81 LEU HB3 H 1 1.207 0.030 . 2 . . . . 81 LEU HB3 . 11253 1 937 . 1 1 81 81 LEU HD11 H 1 0.893 0.030 . 1 . . . . 81 LEU HD1 . 11253 1 938 . 1 1 81 81 LEU HD12 H 1 0.893 0.030 . 1 . . . . 81 LEU HD1 . 11253 1 939 . 1 1 81 81 LEU HD13 H 1 0.893 0.030 . 1 . . . . 81 LEU HD1 . 11253 1 940 . 1 1 81 81 LEU HD21 H 1 0.794 0.030 . 1 . . . . 81 LEU HD2 . 11253 1 941 . 1 1 81 81 LEU HD22 H 1 0.794 0.030 . 1 . . . . 81 LEU HD2 . 11253 1 942 . 1 1 81 81 LEU HD23 H 1 0.794 0.030 . 1 . . . . 81 LEU HD2 . 11253 1 943 . 1 1 81 81 LEU HG H 1 1.454 0.030 . 1 . . . . 81 LEU HG . 11253 1 944 . 1 1 81 81 LEU C C 13 174.483 0.300 . 1 . . . . 81 LEU C . 11253 1 945 . 1 1 81 81 LEU CA C 13 53.621 0.300 . 1 . . . . 81 LEU CA . 11253 1 946 . 1 1 81 81 LEU CB C 13 45.565 0.300 . 1 . . . . 81 LEU CB . 11253 1 947 . 1 1 81 81 LEU CD1 C 13 26.691 0.300 . 2 . . . . 81 LEU CD1 . 11253 1 948 . 1 1 81 81 LEU CD2 C 13 24.353 0.300 . 2 . . . . 81 LEU CD2 . 11253 1 949 . 1 1 81 81 LEU CG C 13 28.811 0.300 . 1 . . . . 81 LEU CG . 11253 1 950 . 1 1 81 81 LEU N N 15 130.500 0.300 . 1 . . . . 81 LEU N . 11253 1 951 . 1 1 82 82 LEU H H 1 9.085 0.030 . 1 . . . . 82 LEU H . 11253 1 952 . 1 1 82 82 LEU HA H 1 5.065 0.030 . 1 . . . . 82 LEU HA . 11253 1 953 . 1 1 82 82 LEU HB2 H 1 1.573 0.030 . 2 . . . . 82 LEU HB2 . 11253 1 954 . 1 1 82 82 LEU HB3 H 1 1.478 0.030 . 2 . . . . 82 LEU HB3 . 11253 1 955 . 1 1 82 82 LEU HD11 H 1 0.844 0.030 . 1 . . . . 82 LEU HD1 . 11253 1 956 . 1 1 82 82 LEU HD12 H 1 0.844 0.030 . 1 . . . . 82 LEU HD1 . 11253 1 957 . 1 1 82 82 LEU HD13 H 1 0.844 0.030 . 1 . . . . 82 LEU HD1 . 11253 1 958 . 1 1 82 82 LEU HD21 H 1 0.846 0.030 . 1 . . . . 82 LEU HD2 . 11253 1 959 . 1 1 82 82 LEU HD22 H 1 0.846 0.030 . 1 . . . . 82 LEU HD2 . 11253 1 960 . 1 1 82 82 LEU HD23 H 1 0.846 0.030 . 1 . . . . 82 LEU HD2 . 11253 1 961 . 1 1 82 82 LEU HG H 1 1.546 0.030 . 1 . . . . 82 LEU HG . 11253 1 962 . 1 1 82 82 LEU C C 13 176.345 0.300 . 1 . . . . 82 LEU C . 11253 1 963 . 1 1 82 82 LEU CA C 13 52.689 0.300 . 1 . . . . 82 LEU CA . 11253 1 964 . 1 1 82 82 LEU CB C 13 44.623 0.300 . 1 . . . . 82 LEU CB . 11253 1 965 . 1 1 82 82 LEU CD1 C 13 23.827 0.300 . 2 . . . . 82 LEU CD1 . 11253 1 966 . 1 1 82 82 LEU CD2 C 13 25.401 0.300 . 2 . . . . 82 LEU CD2 . 11253 1 967 . 1 1 82 82 LEU CG C 13 26.712 0.300 . 1 . . . . 82 LEU CG . 11253 1 968 . 1 1 82 82 LEU N N 15 125.313 0.300 . 1 . . . . 82 LEU N . 11253 1 969 . 1 1 83 83 GLN H H 1 8.205 0.030 . 1 . . . . 83 GLN H . 11253 1 970 . 1 1 83 83 GLN HA H 1 4.736 0.030 . 1 . . . . 83 GLN HA . 11253 1 971 . 1 1 83 83 GLN HB2 H 1 1.733 0.030 . 2 . . . . 83 GLN HB2 . 11253 1 972 . 1 1 83 83 GLN HB3 H 1 2.172 0.030 . 2 . . . . 83 GLN HB3 . 11253 1 973 . 1 1 83 83 GLN HE21 H 1 7.269 0.030 . 2 . . . . 83 GLN HE21 . 11253 1 974 . 1 1 83 83 GLN HE22 H 1 8.117 0.030 . 2 . . . . 83 GLN HE22 . 11253 1 975 . 1 1 83 83 GLN HG2 H 1 2.419 0.030 . 2 . . . . 83 GLN HG2 . 11253 1 976 . 1 1 83 83 GLN HG3 H 1 2.677 0.030 . 2 . . . . 83 GLN HG3 . 11253 1 977 . 1 1 83 83 GLN C C 13 175.676 0.300 . 1 . . . . 83 GLN C . 11253 1 978 . 1 1 83 83 GLN CA C 13 55.329 0.300 . 1 . . . . 83 GLN CA . 11253 1 979 . 1 1 83 83 GLN CB C 13 29.161 0.300 . 1 . . . . 83 GLN CB . 11253 1 980 . 1 1 83 83 GLN CG C 13 33.795 0.300 . 1 . . . . 83 GLN CG . 11253 1 981 . 1 1 83 83 GLN N N 15 123.905 0.300 . 1 . . . . 83 GLN N . 11253 1 982 . 1 1 83 83 GLN NE2 N 15 113.180 0.300 . 1 . . . . 83 GLN NE2 . 11253 1 983 . 1 1 84 84 LYS H H 1 8.977 0.030 . 1 . . . . 84 LYS H . 11253 1 984 . 1 1 84 84 LYS HA H 1 4.215 0.030 . 1 . . . . 84 LYS HA . 11253 1 985 . 1 1 84 84 LYS HB2 H 1 1.826 0.030 . 2 . . . . 84 LYS HB2 . 11253 1 986 . 1 1 84 84 LYS HB3 H 1 1.651 0.030 . 2 . . . . 84 LYS HB3 . 11253 1 987 . 1 1 84 84 LYS HD2 H 1 1.666 0.030 . 1 . . . . 84 LYS HD2 . 11253 1 988 . 1 1 84 84 LYS HD3 H 1 1.666 0.030 . 1 . . . . 84 LYS HD3 . 11253 1 989 . 1 1 84 84 LYS HE2 H 1 2.910 0.030 . 1 . . . . 84 LYS HE2 . 11253 1 990 . 1 1 84 84 LYS HE3 H 1 2.910 0.030 . 1 . . . . 84 LYS HE3 . 11253 1 991 . 1 1 84 84 LYS HG2 H 1 1.375 0.030 . 1 . . . . 84 LYS HG2 . 11253 1 992 . 1 1 84 84 LYS HG3 H 1 1.375 0.030 . 1 . . . . 84 LYS HG3 . 11253 1 993 . 1 1 84 84 LYS C C 13 175.362 0.300 . 1 . . . . 84 LYS C . 11253 1 994 . 1 1 84 84 LYS CA C 13 56.697 0.300 . 1 . . . . 84 LYS CA . 11253 1 995 . 1 1 84 84 LYS CB C 13 34.412 0.300 . 1 . . . . 84 LYS CB . 11253 1 996 . 1 1 84 84 LYS CD C 13 29.561 0.300 . 1 . . . . 84 LYS CD . 11253 1 997 . 1 1 84 84 LYS CE C 13 42.230 0.300 . 1 . . . . 84 LYS CE . 11253 1 998 . 1 1 84 84 LYS CG C 13 25.140 0.300 . 1 . . . . 84 LYS CG . 11253 1 999 . 1 1 84 84 LYS N N 15 127.512 0.300 . 1 . . . . 84 LYS N . 11253 1 1000 . 1 1 85 85 ASP H H 1 8.409 0.030 . 1 . . . . 85 ASP H . 11253 1 1001 . 1 1 85 85 ASP HA H 1 4.550 0.030 . 1 . . . . 85 ASP HA . 11253 1 1002 . 1 1 85 85 ASP HB2 H 1 2.696 0.030 . 2 . . . . 85 ASP HB2 . 11253 1 1003 . 1 1 85 85 ASP HB3 H 1 2.648 0.030 . 2 . . . . 85 ASP HB3 . 11253 1 1004 . 1 1 85 85 ASP C C 13 175.965 0.300 . 1 . . . . 85 ASP C . 11253 1 1005 . 1 1 85 85 ASP CA C 13 54.286 0.300 . 1 . . . . 85 ASP CA . 11253 1 1006 . 1 1 85 85 ASP CB C 13 41.403 0.300 . 1 . . . . 85 ASP CB . 11253 1 1007 . 1 1 85 85 ASP N N 15 120.582 0.300 . 1 . . . . 85 ASP N . 11253 1 1008 . 1 1 86 86 ASN H H 1 8.477 0.030 . 1 . . . . 86 ASN H . 11253 1 1009 . 1 1 86 86 ASN HA H 1 4.715 0.030 . 1 . . . . 86 ASN HA . 11253 1 1010 . 1 1 86 86 ASN HB2 H 1 2.820 0.030 . 2 . . . . 86 ASN HB2 . 11253 1 1011 . 1 1 86 86 ASN HB3 H 1 2.767 0.030 . 2 . . . . 86 ASN HB3 . 11253 1 1012 . 1 1 86 86 ASN HD21 H 1 6.846 0.030 . 2 . . . . 86 ASN HD21 . 11253 1 1013 . 1 1 86 86 ASN HD22 H 1 7.655 0.030 . 2 . . . . 86 ASN HD22 . 11253 1 1014 . 1 1 86 86 ASN C C 13 175.572 0.300 . 1 . . . . 86 ASN C . 11253 1 1015 . 1 1 86 86 ASN CA C 13 53.278 0.300 . 1 . . . . 86 ASN CA . 11253 1 1016 . 1 1 86 86 ASN CB C 13 39.042 0.300 . 1 . . . . 86 ASN CB . 11253 1 1017 . 1 1 86 86 ASN N N 15 119.152 0.300 . 1 . . . . 86 ASN N . 11253 1 1018 . 1 1 86 86 ASN ND2 N 15 112.513 0.300 . 1 . . . . 86 ASN ND2 . 11253 1 1019 . 1 1 87 87 VAL H H 1 8.159 0.030 . 1 . . . . 87 VAL H . 11253 1 1020 . 1 1 87 87 VAL HA H 1 4.058 0.030 . 1 . . . . 87 VAL HA . 11253 1 1021 . 1 1 87 87 VAL HB H 1 2.155 0.030 . 1 . . . . 87 VAL HB . 11253 1 1022 . 1 1 87 87 VAL HG11 H 1 0.936 0.030 . 1 . . . . 87 VAL HG1 . 11253 1 1023 . 1 1 87 87 VAL HG12 H 1 0.936 0.030 . 1 . . . . 87 VAL HG1 . 11253 1 1024 . 1 1 87 87 VAL HG13 H 1 0.936 0.030 . 1 . . . . 87 VAL HG1 . 11253 1 1025 . 1 1 87 87 VAL HG21 H 1 0.938 0.030 . 1 . . . . 87 VAL HG2 . 11253 1 1026 . 1 1 87 87 VAL HG22 H 1 0.938 0.030 . 1 . . . . 87 VAL HG2 . 11253 1 1027 . 1 1 87 87 VAL HG23 H 1 0.938 0.030 . 1 . . . . 87 VAL HG2 . 11253 1 1028 . 1 1 87 87 VAL C C 13 176.856 0.300 . 1 . . . . 87 VAL C . 11253 1 1029 . 1 1 87 87 VAL CA C 13 63.109 0.300 . 1 . . . . 87 VAL CA . 11253 1 1030 . 1 1 87 87 VAL CB C 13 32.394 0.300 . 1 . . . . 87 VAL CB . 11253 1 1031 . 1 1 87 87 VAL CG1 C 13 21.203 0.300 . 2 . . . . 87 VAL CG1 . 11253 1 1032 . 1 1 87 87 VAL CG2 C 13 20.679 0.300 . 2 . . . . 87 VAL CG2 . 11253 1 1033 . 1 1 87 87 VAL N N 15 119.988 0.300 . 1 . . . . 87 VAL N . 11253 1 1034 . 1 1 88 88 GLY H H 1 8.478 0.030 . 1 . . . . 88 GLY H . 11253 1 1035 . 1 1 88 88 GLY HA2 H 1 3.934 0.030 . 1 . . . . 88 GLY HA2 . 11253 1 1036 . 1 1 88 88 GLY HA3 H 1 3.934 0.030 . 1 . . . . 88 GLY HA3 . 11253 1 1037 . 1 1 88 88 GLY C C 13 174.155 0.300 . 1 . . . . 88 GLY C . 11253 1 1038 . 1 1 88 88 GLY CA C 13 45.392 0.300 . 1 . . . . 88 GLY CA . 11253 1 1039 . 1 1 88 88 GLY N N 15 111.266 0.300 . 1 . . . . 88 GLY N . 11253 1 1040 . 1 1 89 89 LEU H H 1 8.012 0.030 . 1 . . . . 89 LEU H . 11253 1 1041 . 1 1 89 89 LEU HA H 1 4.330 0.030 . 1 . . . . 89 LEU HA . 11253 1 1042 . 1 1 89 89 LEU HB2 H 1 1.614 0.030 . 1 . . . . 89 LEU HB2 . 11253 1 1043 . 1 1 89 89 LEU HB3 H 1 1.614 0.030 . 1 . . . . 89 LEU HB3 . 11253 1 1044 . 1 1 89 89 LEU HD11 H 1 0.924 0.030 . 1 . . . . 89 LEU HD1 . 11253 1 1045 . 1 1 89 89 LEU HD12 H 1 0.924 0.030 . 1 . . . . 89 LEU HD1 . 11253 1 1046 . 1 1 89 89 LEU HD13 H 1 0.924 0.030 . 1 . . . . 89 LEU HD1 . 11253 1 1047 . 1 1 89 89 LEU HD21 H 1 0.877 0.030 . 1 . . . . 89 LEU HD2 . 11253 1 1048 . 1 1 89 89 LEU HD22 H 1 0.877 0.030 . 1 . . . . 89 LEU HD2 . 11253 1 1049 . 1 1 89 89 LEU HD23 H 1 0.877 0.030 . 1 . . . . 89 LEU HD2 . 11253 1 1050 . 1 1 89 89 LEU HG H 1 1.910 0.030 . 1 . . . . 89 LEU HG . 11253 1 1051 . 1 1 89 89 LEU C C 13 177.367 0.300 . 1 . . . . 89 LEU C . 11253 1 1052 . 1 1 89 89 LEU CA C 13 55.299 0.300 . 1 . . . . 89 LEU CA . 11253 1 1053 . 1 1 89 89 LEU CB C 13 42.394 0.300 . 1 . . . . 89 LEU CB . 11253 1 1054 . 1 1 89 89 LEU CD1 C 13 24.876 0.300 . 2 . . . . 89 LEU CD1 . 11253 1 1055 . 1 1 89 89 LEU CG C 13 26.778 0.300 . 1 . . . . 89 LEU CG . 11253 1 1056 . 1 1 89 89 LEU N N 15 121.407 0.300 . 1 . . . . 89 LEU N . 11253 1 1057 . 1 1 90 90 ARG H H 1 8.322 0.030 . 1 . . . . 90 ARG H . 11253 1 1058 . 1 1 90 90 ARG HA H 1 4.419 0.030 . 1 . . . . 90 ARG HA . 11253 1 1059 . 1 1 90 90 ARG HB2 H 1 1.776 0.030 . 2 . . . . 90 ARG HB2 . 11253 1 1060 . 1 1 90 90 ARG HB3 H 1 1.869 0.030 . 2 . . . . 90 ARG HB3 . 11253 1 1061 . 1 1 90 90 ARG HD2 H 1 3.202 0.030 . 1 . . . . 90 ARG HD2 . 11253 1 1062 . 1 1 90 90 ARG HD3 H 1 3.202 0.030 . 1 . . . . 90 ARG HD3 . 11253 1 1063 . 1 1 90 90 ARG HG2 H 1 1.603 0.030 . 1 . . . . 90 ARG HG2 . 11253 1 1064 . 1 1 90 90 ARG HG3 H 1 1.603 0.030 . 1 . . . . 90 ARG HG3 . 11253 1 1065 . 1 1 90 90 ARG C C 13 176.148 0.300 . 1 . . . . 90 ARG C . 11253 1 1066 . 1 1 90 90 ARG CA C 13 55.875 0.300 . 1 . . . . 90 ARG CA . 11253 1 1067 . 1 1 90 90 ARG CB C 13 30.910 0.300 . 1 . . . . 90 ARG CB . 11253 1 1068 . 1 1 90 90 ARG CD C 13 43.502 0.300 . 1 . . . . 90 ARG CD . 11253 1 1069 . 1 1 90 90 ARG CG C 13 26.975 0.300 . 1 . . . . 90 ARG CG . 11253 1 1070 . 1 1 90 90 ARG N N 15 121.573 0.300 . 1 . . . . 90 ARG N . 11253 1 1071 . 1 1 91 91 THR H H 1 8.172 0.030 . 1 . . . . 91 THR H . 11253 1 1072 . 1 1 91 91 THR HA H 1 4.588 0.030 . 1 . . . . 91 THR HA . 11253 1 1073 . 1 1 91 91 THR HB H 1 4.163 0.030 . 1 . . . . 91 THR HB . 11253 1 1074 . 1 1 91 91 THR HG21 H 1 1.246 0.030 . 1 . . . . 91 THR HG2 . 11253 1 1075 . 1 1 91 91 THR HG22 H 1 1.246 0.030 . 1 . . . . 91 THR HG2 . 11253 1 1076 . 1 1 91 91 THR HG23 H 1 1.246 0.030 . 1 . . . . 91 THR HG2 . 11253 1 1077 . 1 1 91 91 THR C C 13 172.923 0.300 . 1 . . . . 91 THR C . 11253 1 1078 . 1 1 91 91 THR CA C 13 59.782 0.300 . 1 . . . . 91 THR CA . 11253 1 1079 . 1 1 91 91 THR CB C 13 69.758 0.300 . 1 . . . . 91 THR CB . 11253 1 1080 . 1 1 91 91 THR CG2 C 13 21.465 0.300 . 1 . . . . 91 THR CG2 . 11253 1 1081 . 1 1 91 91 THR N N 15 117.699 0.300 . 1 . . . . 91 THR N . 11253 1 1082 . 1 1 92 92 PRO HA H 1 4.435 0.030 . 1 . . . . 92 PRO HA . 11253 1 1083 . 1 1 92 92 PRO HB2 H 1 2.316 0.030 . 2 . . . . 92 PRO HB2 . 11253 1 1084 . 1 1 92 92 PRO HB3 H 1 1.963 0.030 . 2 . . . . 92 PRO HB3 . 11253 1 1085 . 1 1 92 92 PRO HD2 H 1 3.862 0.030 . 2 . . . . 92 PRO HD2 . 11253 1 1086 . 1 1 92 92 PRO HD3 H 1 3.735 0.030 . 2 . . . . 92 PRO HD3 . 11253 1 1087 . 1 1 92 92 PRO HG2 H 1 1.980 0.030 . 2 . . . . 92 PRO HG2 . 11253 1 1088 . 1 1 92 92 PRO HG3 H 1 2.063 0.030 . 2 . . . . 92 PRO HG3 . 11253 1 1089 . 1 1 92 92 PRO C C 13 177.459 0.300 . 1 . . . . 92 PRO C . 11253 1 1090 . 1 1 92 92 PRO CA C 13 63.533 0.300 . 1 . . . . 92 PRO CA . 11253 1 1091 . 1 1 92 92 PRO CB C 13 32.129 0.300 . 1 . . . . 92 PRO CB . 11253 1 1092 . 1 1 92 92 PRO CD C 13 51.025 0.300 . 1 . . . . 92 PRO CD . 11253 1 1093 . 1 1 92 92 PRO CG C 13 27.517 0.300 . 1 . . . . 92 PRO CG . 11253 1 1094 . 1 1 93 93 GLY H H 1 8.485 0.030 . 1 . . . . 93 GLY H . 11253 1 1095 . 1 1 93 93 GLY HA2 H 1 3.934 0.030 . 1 . . . . 93 GLY HA2 . 11253 1 1096 . 1 1 93 93 GLY HA3 H 1 3.934 0.030 . 1 . . . . 93 GLY HA3 . 11253 1 1097 . 1 1 93 93 GLY C C 13 173.906 0.300 . 1 . . . . 93 GLY C . 11253 1 1098 . 1 1 93 93 GLY CA C 13 45.436 0.300 . 1 . . . . 93 GLY CA . 11253 1 1099 . 1 1 93 93 GLY N N 15 109.236 0.300 . 1 . . . . 93 GLY N . 11253 1 1100 . 1 1 94 94 ARG H H 1 8.159 0.030 . 1 . . . . 94 ARG H . 11253 1 1101 . 1 1 94 94 ARG HA H 1 4.437 0.030 . 1 . . . . 94 ARG HA . 11253 1 1102 . 1 1 94 94 ARG HB2 H 1 1.756 0.030 . 2 . . . . 94 ARG HB2 . 11253 1 1103 . 1 1 94 94 ARG HB3 H 1 1.859 0.030 . 2 . . . . 94 ARG HB3 . 11253 1 1104 . 1 1 94 94 ARG HD2 H 1 3.957 0.030 . 1 . . . . 94 ARG HD2 . 11253 1 1105 . 1 1 94 94 ARG HD3 H 1 3.957 0.030 . 1 . . . . 94 ARG HD3 . 11253 1 1106 . 1 1 94 94 ARG HG2 H 1 1.610 0.030 . 1 . . . . 94 ARG HG2 . 11253 1 1107 . 1 1 94 94 ARG HG3 H 1 1.610 0.030 . 1 . . . . 94 ARG HG3 . 11253 1 1108 . 1 1 94 94 ARG C C 13 176.319 0.300 . 1 . . . . 94 ARG C . 11253 1 1109 . 1 1 94 94 ARG CA C 13 55.875 0.300 . 1 . . . . 94 ARG CA . 11253 1 1110 . 1 1 94 94 ARG CB C 13 31.134 0.300 . 1 . . . . 94 ARG CB . 11253 1 1111 . 1 1 94 94 ARG CD C 13 43.463 0.300 . 1 . . . . 94 ARG CD . 11253 1 1112 . 1 1 94 94 ARG CG C 13 26.859 0.300 . 1 . . . . 94 ARG CG . 11253 1 1113 . 1 1 94 94 ARG N N 15 120.492 0.300 . 1 . . . . 94 ARG N . 11253 1 1114 . 1 1 95 95 THR H H 1 8.352 0.030 . 1 . . . . 95 THR H . 11253 1 1115 . 1 1 95 95 THR HA H 1 4.580 0.030 . 1 . . . . 95 THR HA . 11253 1 1116 . 1 1 95 95 THR HB H 1 4.171 0.030 . 1 . . . . 95 THR HB . 11253 1 1117 . 1 1 95 95 THR HG21 H 1 1.224 0.030 . 1 . . . . 95 THR HG2 . 11253 1 1118 . 1 1 95 95 THR HG22 H 1 1.224 0.030 . 1 . . . . 95 THR HG2 . 11253 1 1119 . 1 1 95 95 THR HG23 H 1 1.224 0.030 . 1 . . . . 95 THR HG2 . 11253 1 1120 . 1 1 95 95 THR C C 13 172.976 0.300 . 1 . . . . 95 THR C . 11253 1 1121 . 1 1 95 95 THR CA C 13 59.934 0.300 . 1 . . . . 95 THR CA . 11253 1 1122 . 1 1 95 95 THR CB C 13 69.752 0.300 . 1 . . . . 95 THR CB . 11253 1 1123 . 1 1 95 95 THR N N 15 118.517 0.300 . 1 . . . . 95 THR N . 11253 1 stop_ save_