data_11263 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11263 _Entry.Title ; Solution Structure of the N-terminal Ubiquitin-like Domain in the Human BAT3 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Zhao . . . 11263 2 K. Saito . . . 11263 3 S. Koshiba . . . 11263 4 M. Inoue . . . 11263 5 T. Kigawa . . . 11263 6 S. Yokoyama . . . 11263 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)' . 11263 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11263 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 11263 '15N chemical shifts' 82 11263 '1H chemical shifts' 566 11263 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-18 2010-08-09 original author . 11263 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WX9 'BMRB Entry Tracking System' 11263 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11263 _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 N-terminal Ubiquitin-like Domain in the Human BAT3 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 . . . 11263 1 2 K. Saito . . . 11263 1 3 S. Koshiba . . . 11263 1 4 M. Inoue . . . 11263 1 5 T. Kigawa . . . 11263 1 6 S. Yokoyama . . . 11263 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11263 _Assembly.ID 1 _Assembly.Name 'HLA-B associated transcript-3 isoform b' _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 . . . 11263 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 1wx9 . . . . . . 11263 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11263 _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 ; GSSGSSGLEVLVKTLDSQTR TFIVGAQMNVKEFKEHIAAS VSIPSEKQRLIYQGRVLQDD KKLQEYNVGGKVIHLVERAP SGPSSG ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WX9 . "Solution Structure Of The N-Terminal Ubiquitin-Like Domain In The Human Bat3 Protein" . . . . . 100.00 86 100.00 100.00 1.98e-53 . . . . 11263 1 2 no PDB 4EEW . "Crystal Structure Of The Ubl Domain Of Bag6" . . . . . 82.56 88 100.00 100.00 1.87e-42 . . . . 11263 1 3 no EMBL CAN59668 . "HLA-B associated transcript 3 [Sus scrofa]" . . . . . 84.88 172 100.00 100.00 2.61e-44 . . . . 11263 1 4 no GB ELW61850 . "Large proline-rich protein BAG6 [Tupaia chinensis]" . . . . . 68.60 1128 100.00 100.00 2.36e-30 . . . . 11263 1 5 no GB EPY85374 . "large proline-rich protein BAG6 [Camelus ferus]" . . . . . 68.60 1023 100.00 100.00 4.42e-30 . . . . 11263 1 6 no REF XP_003422254 . "PREDICTED: large proline-rich protein BAG6 isoform X1 [Loxodonta africana]" . . . . . 84.88 1127 100.00 100.00 7.08e-40 . . . . 11263 1 7 no REF XP_004390798 . "PREDICTED: large proline-rich protein BAG6 isoform X1 [Trichechus manatus latirostris]" . . . . . 84.88 1133 100.00 100.00 6.05e-40 . . . . 11263 1 8 no REF XP_004390799 . "PREDICTED: large proline-rich protein BAG6 isoform X2 [Trichechus manatus latirostris]" . . . . . 84.88 1127 100.00 100.00 6.74e-40 . . . . 11263 1 9 no REF XP_004390800 . "PREDICTED: large proline-rich protein BAG6 isoform X3 [Trichechus manatus latirostris]" . . . . . 84.88 1078 100.00 100.00 6.75e-40 . . . . 11263 1 10 no REF XP_004390801 . "PREDICTED: large proline-rich protein BAG6 isoform X4 [Trichechus manatus latirostris]" . . . . . 84.88 905 100.00 100.00 7.91e-40 . . . . 11263 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin-like domain' . 11263 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 . 11263 1 2 . SER . 11263 1 3 . SER . 11263 1 4 . GLY . 11263 1 5 . SER . 11263 1 6 . SER . 11263 1 7 . GLY . 11263 1 8 . LEU . 11263 1 9 . GLU . 11263 1 10 . VAL . 11263 1 11 . LEU . 11263 1 12 . VAL . 11263 1 13 . LYS . 11263 1 14 . THR . 11263 1 15 . LEU . 11263 1 16 . ASP . 11263 1 17 . SER . 11263 1 18 . GLN . 11263 1 19 . THR . 11263 1 20 . ARG . 11263 1 21 . THR . 11263 1 22 . PHE . 11263 1 23 . ILE . 11263 1 24 . VAL . 11263 1 25 . GLY . 11263 1 26 . ALA . 11263 1 27 . GLN . 11263 1 28 . MET . 11263 1 29 . ASN . 11263 1 30 . VAL . 11263 1 31 . LYS . 11263 1 32 . GLU . 11263 1 33 . PHE . 11263 1 34 . LYS . 11263 1 35 . GLU . 11263 1 36 . HIS . 11263 1 37 . ILE . 11263 1 38 . ALA . 11263 1 39 . ALA . 11263 1 40 . SER . 11263 1 41 . VAL . 11263 1 42 . SER . 11263 1 43 . ILE . 11263 1 44 . PRO . 11263 1 45 . SER . 11263 1 46 . GLU . 11263 1 47 . LYS . 11263 1 48 . GLN . 11263 1 49 . ARG . 11263 1 50 . LEU . 11263 1 51 . ILE . 11263 1 52 . TYR . 11263 1 53 . GLN . 11263 1 54 . GLY . 11263 1 55 . ARG . 11263 1 56 . VAL . 11263 1 57 . LEU . 11263 1 58 . GLN . 11263 1 59 . ASP . 11263 1 60 . ASP . 11263 1 61 . LYS . 11263 1 62 . LYS . 11263 1 63 . LEU . 11263 1 64 . GLN . 11263 1 65 . GLU . 11263 1 66 . TYR . 11263 1 67 . ASN . 11263 1 68 . VAL . 11263 1 69 . GLY . 11263 1 70 . GLY . 11263 1 71 . LYS . 11263 1 72 . VAL . 11263 1 73 . ILE . 11263 1 74 . HIS . 11263 1 75 . LEU . 11263 1 76 . VAL . 11263 1 77 . GLU . 11263 1 78 . ARG . 11263 1 79 . ALA . 11263 1 80 . PRO . 11263 1 81 . SER . 11263 1 82 . GLY . 11263 1 83 . PRO . 11263 1 84 . SER . 11263 1 85 . SER . 11263 1 86 . GLY . 11263 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 11263 1 . SER 2 2 11263 1 . SER 3 3 11263 1 . GLY 4 4 11263 1 . SER 5 5 11263 1 . SER 6 6 11263 1 . GLY 7 7 11263 1 . LEU 8 8 11263 1 . GLU 9 9 11263 1 . VAL 10 10 11263 1 . LEU 11 11 11263 1 . VAL 12 12 11263 1 . LYS 13 13 11263 1 . THR 14 14 11263 1 . LEU 15 15 11263 1 . ASP 16 16 11263 1 . SER 17 17 11263 1 . GLN 18 18 11263 1 . THR 19 19 11263 1 . ARG 20 20 11263 1 . THR 21 21 11263 1 . PHE 22 22 11263 1 . ILE 23 23 11263 1 . VAL 24 24 11263 1 . GLY 25 25 11263 1 . ALA 26 26 11263 1 . GLN 27 27 11263 1 . MET 28 28 11263 1 . ASN 29 29 11263 1 . VAL 30 30 11263 1 . LYS 31 31 11263 1 . GLU 32 32 11263 1 . PHE 33 33 11263 1 . LYS 34 34 11263 1 . GLU 35 35 11263 1 . HIS 36 36 11263 1 . ILE 37 37 11263 1 . ALA 38 38 11263 1 . ALA 39 39 11263 1 . SER 40 40 11263 1 . VAL 41 41 11263 1 . SER 42 42 11263 1 . ILE 43 43 11263 1 . PRO 44 44 11263 1 . SER 45 45 11263 1 . GLU 46 46 11263 1 . LYS 47 47 11263 1 . GLN 48 48 11263 1 . ARG 49 49 11263 1 . LEU 50 50 11263 1 . ILE 51 51 11263 1 . TYR 52 52 11263 1 . GLN 53 53 11263 1 . GLY 54 54 11263 1 . ARG 55 55 11263 1 . VAL 56 56 11263 1 . LEU 57 57 11263 1 . GLN 58 58 11263 1 . ASP 59 59 11263 1 . ASP 60 60 11263 1 . LYS 61 61 11263 1 . LYS 62 62 11263 1 . LEU 63 63 11263 1 . GLN 64 64 11263 1 . GLU 65 65 11263 1 . TYR 66 66 11263 1 . ASN 67 67 11263 1 . VAL 68 68 11263 1 . GLY 69 69 11263 1 . GLY 70 70 11263 1 . LYS 71 71 11263 1 . VAL 72 72 11263 1 . ILE 73 73 11263 1 . HIS 74 74 11263 1 . LEU 75 75 11263 1 . VAL 76 76 11263 1 . GLU 77 77 11263 1 . ARG 78 78 11263 1 . ALA 79 79 11263 1 . PRO 80 80 11263 1 . SER 81 81 11263 1 . GLY 82 82 11263 1 . PRO 83 83 11263 1 . SER 84 84 11263 1 . SER 85 85 11263 1 . GLY 86 86 11263 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 11263 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11263 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 11263 _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 . . P040921-06 . . . . . . 11263 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11263 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.23mM protein U-15N, 13C, 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ubiquitin-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.23 . . mM . . . . 11263 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11263 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11263 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11263 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11263 1 6 H2O . . . . . . solvent 90 . . % . . . . 11263 1 7 D2O . . . . . . solvent 10 . . % . . . . 11263 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 11263 _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' 100 0.1 mM 11263 1 pH 7.0 0.05 pH 11263 1 pressure 1 0.001 atm 11263 1 temperature 298.0 0.1 K 11263 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11263 _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 . . 11263 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11263 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11263 _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.' . . 11263 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11263 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11263 _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.' . . 11263 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11263 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11263 _Software.ID 4 _Software.Name Kujira _Software.Version 0.921 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11263 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11263 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11263 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11263 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11263 5 'structure solution' 11263 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 11263 _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 11263 _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 . . . 11263 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 11263 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11263 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11263 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 11263 _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 . . . . . . . . . 11263 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11263 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11263 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 11263 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11263 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11263 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 . . 11263 1 2 $NMRPipe . . 11263 1 3 $NMRview . . 11263 1 4 $Kujira . . 11263 1 5 $CYANA . . 11263 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 4.518 0.030 . 1 . . . . 6 SER HA . 11263 1 2 . 1 1 6 6 SER HB2 H 1 3.918 0.030 . 1 . . . . 6 SER HB2 . 11263 1 3 . 1 1 6 6 SER HB3 H 1 3.918 0.030 . 1 . . . . 6 SER HB3 . 11263 1 4 . 1 1 6 6 SER C C 13 174.425 0.300 . 1 . . . . 6 SER C . 11263 1 5 . 1 1 6 6 SER CA C 13 58.570 0.300 . 1 . . . . 6 SER CA . 11263 1 6 . 1 1 6 6 SER CB C 13 64.000 0.300 . 1 . . . . 6 SER CB . 11263 1 7 . 1 1 7 7 GLY H H 1 8.167 0.030 . 1 . . . . 7 GLY H . 11263 1 8 . 1 1 7 7 GLY HA2 H 1 3.822 0.030 . 2 . . . . 7 GLY HA2 . 11263 1 9 . 1 1 7 7 GLY HA3 H 1 4.151 0.030 . 2 . . . . 7 GLY HA3 . 11263 1 10 . 1 1 7 7 GLY C C 13 172.423 0.300 . 1 . . . . 7 GLY C . 11263 1 11 . 1 1 7 7 GLY CA C 13 44.898 0.300 . 1 . . . . 7 GLY CA . 11263 1 12 . 1 1 7 7 GLY N N 15 110.217 0.300 . 1 . . . . 7 GLY N . 11263 1 13 . 1 1 8 8 LEU H H 1 9.036 0.030 . 1 . . . . 8 LEU H . 11263 1 14 . 1 1 8 8 LEU HA H 1 4.464 0.030 . 1 . . . . 8 LEU HA . 11263 1 15 . 1 1 8 8 LEU HB2 H 1 1.245 0.030 . 2 . . . . 8 LEU HB2 . 11263 1 16 . 1 1 8 8 LEU HB3 H 1 1.397 0.030 . 2 . . . . 8 LEU HB3 . 11263 1 17 . 1 1 8 8 LEU HD11 H 1 0.625 0.030 . 1 . . . . 8 LEU HD1 . 11263 1 18 . 1 1 8 8 LEU HD12 H 1 0.625 0.030 . 1 . . . . 8 LEU HD1 . 11263 1 19 . 1 1 8 8 LEU HD13 H 1 0.625 0.030 . 1 . . . . 8 LEU HD1 . 11263 1 20 . 1 1 8 8 LEU HD21 H 1 0.745 0.030 . 1 . . . . 8 LEU HD2 . 11263 1 21 . 1 1 8 8 LEU HD22 H 1 0.745 0.030 . 1 . . . . 8 LEU HD2 . 11263 1 22 . 1 1 8 8 LEU HD23 H 1 0.745 0.030 . 1 . . . . 8 LEU HD2 . 11263 1 23 . 1 1 8 8 LEU HG H 1 1.316 0.030 . 1 . . . . 8 LEU HG . 11263 1 24 . 1 1 8 8 LEU C C 13 174.101 0.300 . 1 . . . . 8 LEU C . 11263 1 25 . 1 1 8 8 LEU CA C 13 54.101 0.300 . 1 . . . . 8 LEU CA . 11263 1 26 . 1 1 8 8 LEU CB C 13 44.702 0.300 . 1 . . . . 8 LEU CB . 11263 1 27 . 1 1 8 8 LEU CD1 C 13 25.330 0.300 . 2 . . . . 8 LEU CD1 . 11263 1 28 . 1 1 8 8 LEU CD2 C 13 25.029 0.300 . 2 . . . . 8 LEU CD2 . 11263 1 29 . 1 1 8 8 LEU CG C 13 26.996 0.300 . 1 . . . . 8 LEU CG . 11263 1 30 . 1 1 8 8 LEU N N 15 123.889 0.300 . 1 . . . . 8 LEU N . 11263 1 31 . 1 1 9 9 GLU H H 1 8.481 0.030 . 1 . . . . 9 GLU H . 11263 1 32 . 1 1 9 9 GLU HA H 1 4.988 0.030 . 1 . . . . 9 GLU HA . 11263 1 33 . 1 1 9 9 GLU HB2 H 1 1.796 0.030 . 2 . . . . 9 GLU HB2 . 11263 1 34 . 1 1 9 9 GLU HB3 H 1 1.980 0.030 . 2 . . . . 9 GLU HB3 . 11263 1 35 . 1 1 9 9 GLU HG2 H 1 1.892 0.030 . 2 . . . . 9 GLU HG2 . 11263 1 36 . 1 1 9 9 GLU HG3 H 1 2.035 0.030 . 2 . . . . 9 GLU HG3 . 11263 1 37 . 1 1 9 9 GLU C C 13 175.062 0.300 . 1 . . . . 9 GLU C . 11263 1 38 . 1 1 9 9 GLU CA C 13 55.098 0.300 . 1 . . . . 9 GLU CA . 11263 1 39 . 1 1 9 9 GLU CB C 13 31.244 0.300 . 1 . . . . 9 GLU CB . 11263 1 40 . 1 1 9 9 GLU CG C 13 36.906 0.300 . 1 . . . . 9 GLU CG . 11263 1 41 . 1 1 9 9 GLU N N 15 126.592 0.300 . 1 . . . . 9 GLU N . 11263 1 42 . 1 1 10 10 VAL H H 1 9.231 0.030 . 1 . . . . 10 VAL H . 11263 1 43 . 1 1 10 10 VAL HA H 1 4.493 0.030 . 1 . . . . 10 VAL HA . 11263 1 44 . 1 1 10 10 VAL HB H 1 1.903 0.030 . 1 . . . . 10 VAL HB . 11263 1 45 . 1 1 10 10 VAL HG11 H 1 0.666 0.030 . 1 . . . . 10 VAL HG1 . 11263 1 46 . 1 1 10 10 VAL HG12 H 1 0.666 0.030 . 1 . . . . 10 VAL HG1 . 11263 1 47 . 1 1 10 10 VAL HG13 H 1 0.666 0.030 . 1 . . . . 10 VAL HG1 . 11263 1 48 . 1 1 10 10 VAL HG21 H 1 0.565 0.030 . 1 . . . . 10 VAL HG2 . 11263 1 49 . 1 1 10 10 VAL HG22 H 1 0.565 0.030 . 1 . . . . 10 VAL HG2 . 11263 1 50 . 1 1 10 10 VAL HG23 H 1 0.565 0.030 . 1 . . . . 10 VAL HG2 . 11263 1 51 . 1 1 10 10 VAL C C 13 173.651 0.300 . 1 . . . . 10 VAL C . 11263 1 52 . 1 1 10 10 VAL CA C 13 61.579 0.300 . 1 . . . . 10 VAL CA . 11263 1 53 . 1 1 10 10 VAL CB C 13 35.067 0.300 . 1 . . . . 10 VAL CB . 11263 1 54 . 1 1 10 10 VAL CG1 C 13 22.277 0.300 . 2 . . . . 10 VAL CG1 . 11263 1 55 . 1 1 10 10 VAL CG2 C 13 21.300 0.300 . 2 . . . . 10 VAL CG2 . 11263 1 56 . 1 1 10 10 VAL N N 15 125.925 0.300 . 1 . . . . 10 VAL N . 11263 1 57 . 1 1 11 11 LEU H H 1 8.228 0.030 . 1 . . . . 11 LEU H . 11263 1 58 . 1 1 11 11 LEU HA H 1 5.471 0.030 . 1 . . . . 11 LEU HA . 11263 1 59 . 1 1 11 11 LEU HB2 H 1 1.719 0.030 . 2 . . . . 11 LEU HB2 . 11263 1 60 . 1 1 11 11 LEU HB3 H 1 1.308 0.030 . 2 . . . . 11 LEU HB3 . 11263 1 61 . 1 1 11 11 LEU HD11 H 1 0.709 0.030 . 1 . . . . 11 LEU HD1 . 11263 1 62 . 1 1 11 11 LEU HD12 H 1 0.709 0.030 . 1 . . . . 11 LEU HD1 . 11263 1 63 . 1 1 11 11 LEU HD13 H 1 0.709 0.030 . 1 . . . . 11 LEU HD1 . 11263 1 64 . 1 1 11 11 LEU HD21 H 1 0.725 0.030 . 1 . . . . 11 LEU HD2 . 11263 1 65 . 1 1 11 11 LEU HD22 H 1 0.725 0.030 . 1 . . . . 11 LEU HD2 . 11263 1 66 . 1 1 11 11 LEU HD23 H 1 0.725 0.030 . 1 . . . . 11 LEU HD2 . 11263 1 67 . 1 1 11 11 LEU HG H 1 1.708 0.030 . 1 . . . . 11 LEU HG . 11263 1 68 . 1 1 11 11 LEU C C 13 175.937 0.300 . 1 . . . . 11 LEU C . 11263 1 69 . 1 1 11 11 LEU CA C 13 54.971 0.300 . 1 . . . . 11 LEU CA . 11263 1 70 . 1 1 11 11 LEU CB C 13 43.267 0.300 . 1 . . . . 11 LEU CB . 11263 1 71 . 1 1 11 11 LEU CD1 C 13 24.567 0.300 . 2 . . . . 11 LEU CD1 . 11263 1 72 . 1 1 11 11 LEU CD2 C 13 26.533 0.300 . 2 . . . . 11 LEU CD2 . 11263 1 73 . 1 1 11 11 LEU CG C 13 29.707 0.300 . 1 . . . . 11 LEU CG . 11263 1 74 . 1 1 11 11 LEU N N 15 127.985 0.300 . 1 . . . . 11 LEU N . 11263 1 75 . 1 1 12 12 VAL H H 1 9.276 0.030 . 1 . . . . 12 VAL H . 11263 1 76 . 1 1 12 12 VAL HA H 1 5.105 0.030 . 1 . . . . 12 VAL HA . 11263 1 77 . 1 1 12 12 VAL HB H 1 2.077 0.030 . 1 . . . . 12 VAL HB . 11263 1 78 . 1 1 12 12 VAL HG11 H 1 0.873 0.030 . 1 . . . . 12 VAL HG1 . 11263 1 79 . 1 1 12 12 VAL HG12 H 1 0.873 0.030 . 1 . . . . 12 VAL HG1 . 11263 1 80 . 1 1 12 12 VAL HG13 H 1 0.873 0.030 . 1 . . . . 12 VAL HG1 . 11263 1 81 . 1 1 12 12 VAL HG21 H 1 1.159 0.030 . 1 . . . . 12 VAL HG2 . 11263 1 82 . 1 1 12 12 VAL HG22 H 1 1.159 0.030 . 1 . . . . 12 VAL HG2 . 11263 1 83 . 1 1 12 12 VAL HG23 H 1 1.159 0.030 . 1 . . . . 12 VAL HG2 . 11263 1 84 . 1 1 12 12 VAL C C 13 175.427 0.300 . 1 . . . . 12 VAL C . 11263 1 85 . 1 1 12 12 VAL CA C 13 60.576 0.300 . 1 . . . . 12 VAL CA . 11263 1 86 . 1 1 12 12 VAL CB C 13 35.602 0.300 . 1 . . . . 12 VAL CB . 11263 1 87 . 1 1 12 12 VAL CG1 C 13 22.391 0.300 . 2 . . . . 12 VAL CG1 . 11263 1 88 . 1 1 12 12 VAL CG2 C 13 22.391 0.300 . 2 . . . . 12 VAL CG2 . 11263 1 89 . 1 1 12 12 VAL N N 15 120.188 0.300 . 1 . . . . 12 VAL N . 11263 1 90 . 1 1 13 13 LYS H H 1 9.291 0.030 . 1 . . . . 13 LYS H . 11263 1 91 . 1 1 13 13 LYS HA H 1 5.503 0.030 . 1 . . . . 13 LYS HA . 11263 1 92 . 1 1 13 13 LYS HB2 H 1 1.504 0.030 . 2 . . . . 13 LYS HB2 . 11263 1 93 . 1 1 13 13 LYS HB3 H 1 1.335 0.030 . 2 . . . . 13 LYS HB3 . 11263 1 94 . 1 1 13 13 LYS HD2 H 1 1.560 0.030 . 2 . . . . 13 LYS HD2 . 11263 1 95 . 1 1 13 13 LYS HE2 H 1 2.880 0.030 . 2 . . . . 13 LYS HE2 . 11263 1 96 . 1 1 13 13 LYS HE3 H 1 2.958 0.030 . 2 . . . . 13 LYS HE3 . 11263 1 97 . 1 1 13 13 LYS HG2 H 1 1.274 0.030 . 2 . . . . 13 LYS HG2 . 11263 1 98 . 1 1 13 13 LYS HG3 H 1 1.442 0.030 . 2 . . . . 13 LYS HG3 . 11263 1 99 . 1 1 13 13 LYS C C 13 176.421 0.300 . 1 . . . . 13 LYS C . 11263 1 100 . 1 1 13 13 LYS CA C 13 54.734 0.300 . 1 . . . . 13 LYS CA . 11263 1 101 . 1 1 13 13 LYS CB C 13 35.810 0.300 . 1 . . . . 13 LYS CB . 11263 1 102 . 1 1 13 13 LYS CD C 13 29.841 0.300 . 1 . . . . 13 LYS CD . 11263 1 103 . 1 1 13 13 LYS CE C 13 42.285 0.300 . 1 . . . . 13 LYS CE . 11263 1 104 . 1 1 13 13 LYS CG C 13 24.910 0.300 . 1 . . . . 13 LYS CG . 11263 1 105 . 1 1 13 13 LYS N N 15 132.293 0.300 . 1 . . . . 13 LYS N . 11263 1 106 . 1 1 14 14 THR H H 1 8.558 0.030 . 1 . . . . 14 THR H . 11263 1 107 . 1 1 14 14 THR HA H 1 4.982 0.030 . 1 . . . . 14 THR HA . 11263 1 108 . 1 1 14 14 THR HB H 1 4.720 0.030 . 1 . . . . 14 THR HB . 11263 1 109 . 1 1 14 14 THR HG21 H 1 1.279 0.030 . 1 . . . . 14 THR HG2 . 11263 1 110 . 1 1 14 14 THR HG22 H 1 1.279 0.030 . 1 . . . . 14 THR HG2 . 11263 1 111 . 1 1 14 14 THR HG23 H 1 1.279 0.030 . 1 . . . . 14 THR HG2 . 11263 1 112 . 1 1 14 14 THR C C 13 177.432 0.300 . 1 . . . . 14 THR C . 11263 1 113 . 1 1 14 14 THR CA C 13 60.401 0.300 . 1 . . . . 14 THR CA . 11263 1 114 . 1 1 14 14 THR CB C 13 70.385 0.300 . 1 . . . . 14 THR CB . 11263 1 115 . 1 1 14 14 THR CG2 C 13 23.983 0.300 . 1 . . . . 14 THR CG2 . 11263 1 116 . 1 1 14 14 THR N N 15 117.976 0.300 . 1 . . . . 14 THR N . 11263 1 117 . 1 1 15 15 LEU H H 1 9.316 0.030 . 1 . . . . 15 LEU H . 11263 1 118 . 1 1 15 15 LEU HA H 1 4.195 0.030 . 1 . . . . 15 LEU HA . 11263 1 119 . 1 1 15 15 LEU HB2 H 1 1.730 0.030 . 2 . . . . 15 LEU HB2 . 11263 1 120 . 1 1 15 15 LEU HB3 H 1 1.875 0.030 . 2 . . . . 15 LEU HB3 . 11263 1 121 . 1 1 15 15 LEU HD11 H 1 1.067 0.030 . 1 . . . . 15 LEU HD1 . 11263 1 122 . 1 1 15 15 LEU HD12 H 1 1.067 0.030 . 1 . . . . 15 LEU HD1 . 11263 1 123 . 1 1 15 15 LEU HD13 H 1 1.067 0.030 . 1 . . . . 15 LEU HD1 . 11263 1 124 . 1 1 15 15 LEU HD21 H 1 0.995 0.030 . 1 . . . . 15 LEU HD2 . 11263 1 125 . 1 1 15 15 LEU HD22 H 1 0.995 0.030 . 1 . . . . 15 LEU HD2 . 11263 1 126 . 1 1 15 15 LEU HD23 H 1 0.995 0.030 . 1 . . . . 15 LEU HD2 . 11263 1 127 . 1 1 15 15 LEU HG H 1 1.926 0.030 . 1 . . . . 15 LEU HG . 11263 1 128 . 1 1 15 15 LEU C C 13 177.481 0.300 . 1 . . . . 15 LEU C . 11263 1 129 . 1 1 15 15 LEU CA C 13 57.783 0.300 . 1 . . . . 15 LEU CA . 11263 1 130 . 1 1 15 15 LEU CB C 13 41.780 0.300 . 1 . . . . 15 LEU CB . 11263 1 131 . 1 1 15 15 LEU CD1 C 13 25.262 0.300 . 2 . . . . 15 LEU CD1 . 11263 1 132 . 1 1 15 15 LEU CD2 C 13 23.706 0.300 . 2 . . . . 15 LEU CD2 . 11263 1 133 . 1 1 15 15 LEU CG C 13 27.405 0.300 . 1 . . . . 15 LEU CG . 11263 1 134 . 1 1 15 15 LEU N N 15 122.415 0.300 . 1 . . . . 15 LEU N . 11263 1 135 . 1 1 16 16 ASP H H 1 8.103 0.030 . 1 . . . . 16 ASP H . 11263 1 136 . 1 1 16 16 ASP HA H 1 4.518 0.030 . 1 . . . . 16 ASP HA . 11263 1 137 . 1 1 16 16 ASP HB2 H 1 3.086 0.030 . 2 . . . . 16 ASP HB2 . 11263 1 138 . 1 1 16 16 ASP HB3 H 1 2.713 0.030 . 2 . . . . 16 ASP HB3 . 11263 1 139 . 1 1 16 16 ASP C C 13 176.472 0.300 . 1 . . . . 16 ASP C . 11263 1 140 . 1 1 16 16 ASP CA C 13 53.872 0.300 . 1 . . . . 16 ASP CA . 11263 1 141 . 1 1 16 16 ASP CB C 13 39.624 0.300 . 1 . . . . 16 ASP CB . 11263 1 142 . 1 1 16 16 ASP N N 15 118.020 0.300 . 1 . . . . 16 ASP N . 11263 1 143 . 1 1 17 17 SER H H 1 8.317 0.030 . 1 . . . . 17 SER H . 11263 1 144 . 1 1 17 17 SER HA H 1 3.996 0.030 . 1 . . . . 17 SER HA . 11263 1 145 . 1 1 17 17 SER HB2 H 1 4.112 0.030 . 2 . . . . 17 SER HB2 . 11263 1 146 . 1 1 17 17 SER HB3 H 1 4.257 0.030 . 2 . . . . 17 SER HB3 . 11263 1 147 . 1 1 17 17 SER C C 13 173.717 0.300 . 1 . . . . 17 SER C . 11263 1 148 . 1 1 17 17 SER CA C 13 60.773 0.300 . 1 . . . . 17 SER CA . 11263 1 149 . 1 1 17 17 SER CB C 13 62.409 0.300 . 1 . . . . 17 SER CB . 11263 1 150 . 1 1 17 17 SER N N 15 111.458 0.300 . 1 . . . . 17 SER N . 11263 1 151 . 1 1 18 18 GLN H H 1 7.894 0.030 . 1 . . . . 18 GLN H . 11263 1 152 . 1 1 18 18 GLN HA H 1 4.385 0.030 . 1 . . . . 18 GLN HA . 11263 1 153 . 1 1 18 18 GLN HB2 H 1 1.983 0.030 . 1 . . . . 18 GLN HB2 . 11263 1 154 . 1 1 18 18 GLN HB3 H 1 1.983 0.030 . 1 . . . . 18 GLN HB3 . 11263 1 155 . 1 1 18 18 GLN HE21 H 1 6.838 0.030 . 2 . . . . 18 GLN HE21 . 11263 1 156 . 1 1 18 18 GLN HE22 H 1 7.610 0.030 . 2 . . . . 18 GLN HE22 . 11263 1 157 . 1 1 18 18 GLN HG2 H 1 2.162 0.030 . 2 . . . . 18 GLN HG2 . 11263 1 158 . 1 1 18 18 GLN HG3 H 1 2.290 0.030 . 2 . . . . 18 GLN HG3 . 11263 1 159 . 1 1 18 18 GLN C C 13 175.293 0.300 . 1 . . . . 18 GLN C . 11263 1 160 . 1 1 18 18 GLN CA C 13 56.406 0.300 . 1 . . . . 18 GLN CA . 11263 1 161 . 1 1 18 18 GLN CB C 13 29.804 0.300 . 1 . . . . 18 GLN CB . 11263 1 162 . 1 1 18 18 GLN CG C 13 34.558 0.300 . 1 . . . . 18 GLN CG . 11263 1 163 . 1 1 18 18 GLN N N 15 121.175 0.300 . 1 . . . . 18 GLN N . 11263 1 164 . 1 1 18 18 GLN NE2 N 15 112.536 0.300 . 1 . . . . 18 GLN NE2 . 11263 1 165 . 1 1 19 19 THR H H 1 8.514 0.030 . 1 . . . . 19 THR H . 11263 1 166 . 1 1 19 19 THR HA H 1 5.048 0.030 . 1 . . . . 19 THR HA . 11263 1 167 . 1 1 19 19 THR HB H 1 3.901 0.030 . 1 . . . . 19 THR HB . 11263 1 168 . 1 1 19 19 THR HG21 H 1 1.068 0.030 . 1 . . . . 19 THR HG2 . 11263 1 169 . 1 1 19 19 THR HG22 H 1 1.068 0.030 . 1 . . . . 19 THR HG2 . 11263 1 170 . 1 1 19 19 THR HG23 H 1 1.068 0.030 . 1 . . . . 19 THR HG2 . 11263 1 171 . 1 1 19 19 THR C C 13 174.356 0.300 . 1 . . . . 19 THR C . 11263 1 172 . 1 1 19 19 THR CA C 13 62.213 0.300 . 1 . . . . 19 THR CA . 11263 1 173 . 1 1 19 19 THR CB C 13 69.862 0.300 . 1 . . . . 19 THR CB . 11263 1 174 . 1 1 19 19 THR CG2 C 13 22.378 0.300 . 1 . . . . 19 THR CG2 . 11263 1 175 . 1 1 19 19 THR N N 15 117.583 0.300 . 1 . . . . 19 THR N . 11263 1 176 . 1 1 20 20 ARG H H 1 8.802 0.030 . 1 . . . . 20 ARG H . 11263 1 177 . 1 1 20 20 ARG HA H 1 4.545 0.030 . 1 . . . . 20 ARG HA . 11263 1 178 . 1 1 20 20 ARG HB2 H 1 1.375 0.030 . 2 . . . . 20 ARG HB2 . 11263 1 179 . 1 1 20 20 ARG HB3 H 1 1.479 0.030 . 2 . . . . 20 ARG HB3 . 11263 1 180 . 1 1 20 20 ARG HD2 H 1 2.949 0.030 . 2 . . . . 20 ARG HD2 . 11263 1 181 . 1 1 20 20 ARG HD3 H 1 3.102 0.030 . 2 . . . . 20 ARG HD3 . 11263 1 182 . 1 1 20 20 ARG HG2 H 1 1.517 0.030 . 2 . . . . 20 ARG HG2 . 11263 1 183 . 1 1 20 20 ARG HG3 H 1 1.635 0.030 . 2 . . . . 20 ARG HG3 . 11263 1 184 . 1 1 20 20 ARG C C 13 174.315 0.300 . 1 . . . . 20 ARG C . 11263 1 185 . 1 1 20 20 ARG CA C 13 54.523 0.300 . 1 . . . . 20 ARG CA . 11263 1 186 . 1 1 20 20 ARG CB C 13 34.666 0.300 . 1 . . . . 20 ARG CB . 11263 1 187 . 1 1 20 20 ARG CD C 13 43.683 0.300 . 1 . . . . 20 ARG CD . 11263 1 188 . 1 1 20 20 ARG CG C 13 28.392 0.300 . 1 . . . . 20 ARG CG . 11263 1 189 . 1 1 20 20 ARG N N 15 127.092 0.300 . 1 . . . . 20 ARG N . 11263 1 190 . 1 1 21 21 THR H H 1 8.279 0.030 . 1 . . . . 21 THR H . 11263 1 191 . 1 1 21 21 THR HA H 1 4.818 0.030 . 1 . . . . 21 THR HA . 11263 1 192 . 1 1 21 21 THR HB H 1 3.776 0.030 . 1 . . . . 21 THR HB . 11263 1 193 . 1 1 21 21 THR HG21 H 1 1.085 0.030 . 1 . . . . 21 THR HG2 . 11263 1 194 . 1 1 21 21 THR HG22 H 1 1.085 0.030 . 1 . . . . 21 THR HG2 . 11263 1 195 . 1 1 21 21 THR HG23 H 1 1.085 0.030 . 1 . . . . 21 THR HG2 . 11263 1 196 . 1 1 21 21 THR C C 13 173.444 0.300 . 1 . . . . 21 THR C . 11263 1 197 . 1 1 21 21 THR CA C 13 62.547 0.300 . 1 . . . . 21 THR CA . 11263 1 198 . 1 1 21 21 THR CB C 13 69.879 0.300 . 1 . . . . 21 THR CB . 11263 1 199 . 1 1 21 21 THR CG2 C 13 21.724 0.300 . 1 . . . . 21 THR CG2 . 11263 1 200 . 1 1 21 21 THR N N 15 117.759 0.300 . 1 . . . . 21 THR N . 11263 1 201 . 1 1 22 22 PHE H H 1 9.323 0.030 . 1 . . . . 22 PHE H . 11263 1 202 . 1 1 22 22 PHE HA H 1 4.859 0.030 . 1 . . . . 22 PHE HA . 11263 1 203 . 1 1 22 22 PHE HB2 H 1 3.205 0.030 . 2 . . . . 22 PHE HB2 . 11263 1 204 . 1 1 22 22 PHE HB3 H 1 2.923 0.030 . 2 . . . . 22 PHE HB3 . 11263 1 205 . 1 1 22 22 PHE HD1 H 1 7.372 0.030 . 1 . . . . 22 PHE HD1 . 11263 1 206 . 1 1 22 22 PHE HD2 H 1 7.372 0.030 . 1 . . . . 22 PHE HD2 . 11263 1 207 . 1 1 22 22 PHE HE1 H 1 7.085 0.030 . 1 . . . . 22 PHE HE1 . 11263 1 208 . 1 1 22 22 PHE HE2 H 1 7.085 0.030 . 1 . . . . 22 PHE HE2 . 11263 1 209 . 1 1 22 22 PHE HZ H 1 6.957 0.030 . 1 . . . . 22 PHE HZ . 11263 1 210 . 1 1 22 22 PHE C C 13 173.401 0.300 . 1 . . . . 22 PHE C . 11263 1 211 . 1 1 22 22 PHE CA C 13 57.409 0.300 . 1 . . . . 22 PHE CA . 11263 1 212 . 1 1 22 22 PHE CB C 13 42.920 0.300 . 1 . . . . 22 PHE CB . 11263 1 213 . 1 1 22 22 PHE CD1 C 13 132.799 0.300 . 1 . . . . 22 PHE CD1 . 11263 1 214 . 1 1 22 22 PHE CD2 C 13 132.799 0.300 . 1 . . . . 22 PHE CD2 . 11263 1 215 . 1 1 22 22 PHE CE1 C 13 130.806 0.300 . 1 . . . . 22 PHE CE1 . 11263 1 216 . 1 1 22 22 PHE CE2 C 13 130.806 0.300 . 1 . . . . 22 PHE CE2 . 11263 1 217 . 1 1 22 22 PHE CZ C 13 128.868 0.300 . 1 . . . . 22 PHE CZ . 11263 1 218 . 1 1 22 22 PHE N N 15 125.738 0.300 . 1 . . . . 22 PHE N . 11263 1 219 . 1 1 23 23 ILE H H 1 8.464 0.030 . 1 . . . . 23 ILE H . 11263 1 220 . 1 1 23 23 ILE HA H 1 5.114 0.030 . 1 . . . . 23 ILE HA . 11263 1 221 . 1 1 23 23 ILE HB H 1 1.832 0.030 . 1 . . . . 23 ILE HB . 11263 1 222 . 1 1 23 23 ILE HD11 H 1 0.829 0.030 . 1 . . . . 23 ILE HD1 . 11263 1 223 . 1 1 23 23 ILE HD12 H 1 0.829 0.030 . 1 . . . . 23 ILE HD1 . 11263 1 224 . 1 1 23 23 ILE HD13 H 1 0.829 0.030 . 1 . . . . 23 ILE HD1 . 11263 1 225 . 1 1 23 23 ILE HG12 H 1 1.109 0.030 . 2 . . . . 23 ILE HG12 . 11263 1 226 . 1 1 23 23 ILE HG13 H 1 1.507 0.030 . 2 . . . . 23 ILE HG13 . 11263 1 227 . 1 1 23 23 ILE HG21 H 1 0.766 0.030 . 1 . . . . 23 ILE HG2 . 11263 1 228 . 1 1 23 23 ILE HG22 H 1 0.766 0.030 . 1 . . . . 23 ILE HG2 . 11263 1 229 . 1 1 23 23 ILE HG23 H 1 0.766 0.030 . 1 . . . . 23 ILE HG2 . 11263 1 230 . 1 1 23 23 ILE C C 13 176.824 0.300 . 1 . . . . 23 ILE C . 11263 1 231 . 1 1 23 23 ILE CA C 13 60.418 0.300 . 1 . . . . 23 ILE CA . 11263 1 232 . 1 1 23 23 ILE CB C 13 37.788 0.300 . 1 . . . . 23 ILE CB . 11263 1 233 . 1 1 23 23 ILE CD1 C 13 12.690 0.300 . 1 . . . . 23 ILE CD1 . 11263 1 234 . 1 1 23 23 ILE CG1 C 13 27.652 0.300 . 1 . . . . 23 ILE CG1 . 11263 1 235 . 1 1 23 23 ILE CG2 C 13 17.540 0.300 . 1 . . . . 23 ILE CG2 . 11263 1 236 . 1 1 23 23 ILE N N 15 122.954 0.300 . 1 . . . . 23 ILE N . 11263 1 237 . 1 1 24 24 VAL H H 1 8.972 0.030 . 1 . . . . 24 VAL H . 11263 1 238 . 1 1 24 24 VAL HA H 1 4.736 0.030 . 1 . . . . 24 VAL HA . 11263 1 239 . 1 1 24 24 VAL HB H 1 2.364 0.030 . 1 . . . . 24 VAL HB . 11263 1 240 . 1 1 24 24 VAL HG11 H 1 0.666 0.030 . 1 . . . . 24 VAL HG1 . 11263 1 241 . 1 1 24 24 VAL HG12 H 1 0.666 0.030 . 1 . . . . 24 VAL HG1 . 11263 1 242 . 1 1 24 24 VAL HG13 H 1 0.666 0.030 . 1 . . . . 24 VAL HG1 . 11263 1 243 . 1 1 24 24 VAL HG21 H 1 0.693 0.030 . 1 . . . . 24 VAL HG2 . 11263 1 244 . 1 1 24 24 VAL HG22 H 1 0.693 0.030 . 1 . . . . 24 VAL HG2 . 11263 1 245 . 1 1 24 24 VAL HG23 H 1 0.693 0.030 . 1 . . . . 24 VAL HG2 . 11263 1 246 . 1 1 24 24 VAL C C 13 175.050 0.300 . 1 . . . . 24 VAL C . 11263 1 247 . 1 1 24 24 VAL CA C 13 58.641 0.300 . 1 . . . . 24 VAL CA . 11263 1 248 . 1 1 24 24 VAL CB C 13 36.301 0.300 . 1 . . . . 24 VAL CB . 11263 1 249 . 1 1 24 24 VAL CG1 C 13 21.815 0.300 . 2 . . . . 24 VAL CG1 . 11263 1 250 . 1 1 24 24 VAL CG2 C 13 17.638 0.300 . 2 . . . . 24 VAL CG2 . 11263 1 251 . 1 1 24 24 VAL N N 15 121.281 0.300 . 1 . . . . 24 VAL N . 11263 1 252 . 1 1 25 25 GLY H H 1 7.967 0.030 . 1 . . . . 25 GLY H . 11263 1 253 . 1 1 25 25 GLY HA2 H 1 3.782 0.030 . 2 . . . . 25 GLY HA2 . 11263 1 254 . 1 1 25 25 GLY HA3 H 1 4.123 0.030 . 2 . . . . 25 GLY HA3 . 11263 1 255 . 1 1 25 25 GLY C C 13 174.551 0.300 . 1 . . . . 25 GLY C . 11263 1 256 . 1 1 25 25 GLY CA C 13 45.707 0.300 . 1 . . . . 25 GLY CA . 11263 1 257 . 1 1 25 25 GLY N N 15 107.077 0.300 . 1 . . . . 25 GLY N . 11263 1 258 . 1 1 26 26 ALA H H 1 8.359 0.030 . 1 . . . . 26 ALA H . 11263 1 259 . 1 1 26 26 ALA HA H 1 3.944 0.030 . 1 . . . . 26 ALA HA . 11263 1 260 . 1 1 26 26 ALA HB1 H 1 1.394 0.030 . 1 . . . . 26 ALA HB . 11263 1 261 . 1 1 26 26 ALA HB2 H 1 1.394 0.030 . 1 . . . . 26 ALA HB . 11263 1 262 . 1 1 26 26 ALA HB3 H 1 1.394 0.030 . 1 . . . . 26 ALA HB . 11263 1 263 . 1 1 26 26 ALA C C 13 178.819 0.300 . 1 . . . . 26 ALA C . 11263 1 264 . 1 1 26 26 ALA CA C 13 54.400 0.300 . 1 . . . . 26 ALA CA . 11263 1 265 . 1 1 26 26 ALA CB C 13 18.758 0.300 . 1 . . . . 26 ALA CB . 11263 1 266 . 1 1 26 26 ALA N N 15 121.616 0.300 . 1 . . . . 26 ALA N . 11263 1 267 . 1 1 27 27 GLN H H 1 8.453 0.030 . 1 . . . . 27 GLN H . 11263 1 268 . 1 1 27 27 GLN HA H 1 4.423 0.030 . 1 . . . . 27 GLN HA . 11263 1 269 . 1 1 27 27 GLN HB2 H 1 2.323 0.030 . 2 . . . . 27 GLN HB2 . 11263 1 270 . 1 1 27 27 GLN HB3 H 1 1.968 0.030 . 2 . . . . 27 GLN HB3 . 11263 1 271 . 1 1 27 27 GLN HE21 H 1 7.526 0.030 . 2 . . . . 27 GLN HE21 . 11263 1 272 . 1 1 27 27 GLN HE22 H 1 6.882 0.030 . 2 . . . . 27 GLN HE22 . 11263 1 273 . 1 1 27 27 GLN HG2 H 1 2.289 0.030 . 2 . . . . 27 GLN HG2 . 11263 1 274 . 1 1 27 27 GLN HG3 H 1 2.430 0.030 . 2 . . . . 27 GLN HG3 . 11263 1 275 . 1 1 27 27 GLN C C 13 175.670 0.300 . 1 . . . . 27 GLN C . 11263 1 276 . 1 1 27 27 GLN CA C 13 54.858 0.300 . 1 . . . . 27 GLN CA . 11263 1 277 . 1 1 27 27 GLN CB C 13 27.872 0.300 . 1 . . . . 27 GLN CB . 11263 1 278 . 1 1 27 27 GLN CG C 13 33.407 0.300 . 1 . . . . 27 GLN CG . 11263 1 279 . 1 1 27 27 GLN N N 15 114.023 0.300 . 1 . . . . 27 GLN N . 11263 1 280 . 1 1 27 27 GLN NE2 N 15 112.764 0.300 . 1 . . . . 27 GLN NE2 . 11263 1 281 . 1 1 28 28 MET H H 1 7.390 0.030 . 1 . . . . 28 MET H . 11263 1 282 . 1 1 28 28 MET HA H 1 4.158 0.030 . 1 . . . . 28 MET HA . 11263 1 283 . 1 1 28 28 MET HB2 H 1 2.186 0.030 . 2 . . . . 28 MET HB2 . 11263 1 284 . 1 1 28 28 MET HB3 H 1 1.927 0.030 . 2 . . . . 28 MET HB3 . 11263 1 285 . 1 1 28 28 MET HE1 H 1 1.976 0.030 . 1 . . . . 28 MET HE . 11263 1 286 . 1 1 28 28 MET HE2 H 1 1.976 0.030 . 1 . . . . 28 MET HE . 11263 1 287 . 1 1 28 28 MET HE3 H 1 1.976 0.030 . 1 . . . . 28 MET HE . 11263 1 288 . 1 1 28 28 MET HG2 H 1 2.637 0.030 . 2 . . . . 28 MET HG2 . 11263 1 289 . 1 1 28 28 MET HG3 H 1 3.080 0.030 . 2 . . . . 28 MET HG3 . 11263 1 290 . 1 1 28 28 MET C C 13 176.791 0.300 . 1 . . . . 28 MET C . 11263 1 291 . 1 1 28 28 MET CA C 13 58.011 0.300 . 1 . . . . 28 MET CA . 11263 1 292 . 1 1 28 28 MET CB C 13 34.533 0.300 . 1 . . . . 28 MET CB . 11263 1 293 . 1 1 28 28 MET CE C 13 17.433 0.300 . 1 . . . . 28 MET CE . 11263 1 294 . 1 1 28 28 MET CG C 13 32.899 0.300 . 1 . . . . 28 MET CG . 11263 1 295 . 1 1 28 28 MET N N 15 121.043 0.300 . 1 . . . . 28 MET N . 11263 1 296 . 1 1 29 29 ASN H H 1 9.004 0.030 . 1 . . . . 29 ASN H . 11263 1 297 . 1 1 29 29 ASN HA H 1 5.347 0.030 . 1 . . . . 29 ASN HA . 11263 1 298 . 1 1 29 29 ASN HB2 H 1 3.115 0.030 . 2 . . . . 29 ASN HB2 . 11263 1 299 . 1 1 29 29 ASN HB3 H 1 2.683 0.030 . 2 . . . . 29 ASN HB3 . 11263 1 300 . 1 1 29 29 ASN HD21 H 1 6.737 0.030 . 2 . . . . 29 ASN HD21 . 11263 1 301 . 1 1 29 29 ASN HD22 H 1 7.378 0.030 . 2 . . . . 29 ASN HD22 . 11263 1 302 . 1 1 29 29 ASN C C 13 175.536 0.300 . 1 . . . . 29 ASN C . 11263 1 303 . 1 1 29 29 ASN CA C 13 51.532 0.300 . 1 . . . . 29 ASN CA . 11263 1 304 . 1 1 29 29 ASN CB C 13 39.070 0.300 . 1 . . . . 29 ASN CB . 11263 1 305 . 1 1 29 29 ASN N N 15 124.293 0.300 . 1 . . . . 29 ASN N . 11263 1 306 . 1 1 29 29 ASN ND2 N 15 110.207 0.300 . 1 . . . . 29 ASN ND2 . 11263 1 307 . 1 1 30 30 VAL H H 1 8.455 0.030 . 1 . . . . 30 VAL H . 11263 1 308 . 1 1 30 30 VAL HA H 1 3.463 0.030 . 1 . . . . 30 VAL HA . 11263 1 309 . 1 1 30 30 VAL HB H 1 2.614 0.030 . 1 . . . . 30 VAL HB . 11263 1 310 . 1 1 30 30 VAL HG11 H 1 0.836 0.030 . 1 . . . . 30 VAL HG1 . 11263 1 311 . 1 1 30 30 VAL HG12 H 1 0.836 0.030 . 1 . . . . 30 VAL HG1 . 11263 1 312 . 1 1 30 30 VAL HG13 H 1 0.836 0.030 . 1 . . . . 30 VAL HG1 . 11263 1 313 . 1 1 30 30 VAL HG21 H 1 0.990 0.030 . 1 . . . . 30 VAL HG2 . 11263 1 314 . 1 1 30 30 VAL HG22 H 1 0.990 0.030 . 1 . . . . 30 VAL HG2 . 11263 1 315 . 1 1 30 30 VAL HG23 H 1 0.990 0.030 . 1 . . . . 30 VAL HG2 . 11263 1 316 . 1 1 30 30 VAL C C 13 176.959 0.300 . 1 . . . . 30 VAL C . 11263 1 317 . 1 1 30 30 VAL CA C 13 67.686 0.300 . 1 . . . . 30 VAL CA . 11263 1 318 . 1 1 30 30 VAL CB C 13 31.520 0.300 . 1 . . . . 30 VAL CB . 11263 1 319 . 1 1 30 30 VAL CG1 C 13 21.404 0.300 . 2 . . . . 30 VAL CG1 . 11263 1 320 . 1 1 30 30 VAL CG2 C 13 24.496 0.300 . 2 . . . . 30 VAL CG2 . 11263 1 321 . 1 1 30 30 VAL N N 15 119.859 0.300 . 1 . . . . 30 VAL N . 11263 1 322 . 1 1 31 31 LYS H H 1 8.435 0.030 . 1 . . . . 31 LYS H . 11263 1 323 . 1 1 31 31 LYS HA H 1 3.855 0.030 . 1 . . . . 31 LYS HA . 11263 1 324 . 1 1 31 31 LYS HB2 H 1 1.963 0.030 . 2 . . . . 31 LYS HB2 . 11263 1 325 . 1 1 31 31 LYS HB3 H 1 1.757 0.030 . 2 . . . . 31 LYS HB3 . 11263 1 326 . 1 1 31 31 LYS HD2 H 1 1.668 0.030 . 2 . . . . 31 LYS HD2 . 11263 1 327 . 1 1 31 31 LYS HE2 H 1 2.950 0.030 . 1 . . . . 31 LYS HE2 . 11263 1 328 . 1 1 31 31 LYS HE3 H 1 2.950 0.030 . 1 . . . . 31 LYS HE3 . 11263 1 329 . 1 1 31 31 LYS HG2 H 1 1.434 0.030 . 1 . . . . 31 LYS HG2 . 11263 1 330 . 1 1 31 31 LYS HG3 H 1 1.434 0.030 . 1 . . . . 31 LYS HG3 . 11263 1 331 . 1 1 31 31 LYS C C 13 178.734 0.300 . 1 . . . . 31 LYS C . 11263 1 332 . 1 1 31 31 LYS CA C 13 60.442 0.300 . 1 . . . . 31 LYS CA . 11263 1 333 . 1 1 31 31 LYS CB C 13 32.691 0.300 . 1 . . . . 31 LYS CB . 11263 1 334 . 1 1 31 31 LYS CD C 13 29.625 0.300 . 1 . . . . 31 LYS CD . 11263 1 335 . 1 1 31 31 LYS CE C 13 42.285 0.300 . 1 . . . . 31 LYS CE . 11263 1 336 . 1 1 31 31 LYS CG C 13 24.692 0.300 . 1 . . . . 31 LYS CG . 11263 1 337 . 1 1 31 31 LYS N N 15 122.202 0.300 . 1 . . . . 31 LYS N . 11263 1 338 . 1 1 32 32 GLU H H 1 8.541 0.030 . 1 . . . . 32 GLU H . 11263 1 339 . 1 1 32 32 GLU HA H 1 4.014 0.030 . 1 . . . . 32 GLU HA . 11263 1 340 . 1 1 32 32 GLU HB2 H 1 2.423 0.030 . 2 . . . . 32 GLU HB2 . 11263 1 341 . 1 1 32 32 GLU HB3 H 1 1.951 0.030 . 2 . . . . 32 GLU HB3 . 11263 1 342 . 1 1 32 32 GLU HG2 H 1 2.593 0.030 . 2 . . . . 32 GLU HG2 . 11263 1 343 . 1 1 32 32 GLU HG3 H 1 2.334 0.030 . 2 . . . . 32 GLU HG3 . 11263 1 344 . 1 1 32 32 GLU C C 13 180.059 0.300 . 1 . . . . 32 GLU C . 11263 1 345 . 1 1 32 32 GLU CA C 13 58.904 0.300 . 1 . . . . 32 GLU CA . 11263 1 346 . 1 1 32 32 GLU CB C 13 30.302 0.300 . 1 . . . . 32 GLU CB . 11263 1 347 . 1 1 32 32 GLU CG C 13 37.078 0.300 . 1 . . . . 32 GLU CG . 11263 1 348 . 1 1 32 32 GLU N N 15 117.937 0.300 . 1 . . . . 32 GLU N . 11263 1 349 . 1 1 33 33 PHE H H 1 8.688 0.030 . 1 . . . . 33 PHE H . 11263 1 350 . 1 1 33 33 PHE HA H 1 4.465 0.030 . 1 . . . . 33 PHE HA . 11263 1 351 . 1 1 33 33 PHE HB2 H 1 3.240 0.030 . 2 . . . . 33 PHE HB2 . 11263 1 352 . 1 1 33 33 PHE HB3 H 1 3.022 0.030 . 2 . . . . 33 PHE HB3 . 11263 1 353 . 1 1 33 33 PHE HD1 H 1 7.056 0.030 . 1 . . . . 33 PHE HD1 . 11263 1 354 . 1 1 33 33 PHE HD2 H 1 7.056 0.030 . 1 . . . . 33 PHE HD2 . 11263 1 355 . 1 1 33 33 PHE HE1 H 1 6.822 0.030 . 1 . . . . 33 PHE HE1 . 11263 1 356 . 1 1 33 33 PHE HE2 H 1 6.822 0.030 . 1 . . . . 33 PHE HE2 . 11263 1 357 . 1 1 33 33 PHE C C 13 176.728 0.300 . 1 . . . . 33 PHE C . 11263 1 358 . 1 1 33 33 PHE CA C 13 61.932 0.300 . 1 . . . . 33 PHE CA . 11263 1 359 . 1 1 33 33 PHE CB C 13 39.376 0.300 . 1 . . . . 33 PHE CB . 11263 1 360 . 1 1 33 33 PHE CD1 C 13 131.519 0.300 . 1 . . . . 33 PHE CD1 . 11263 1 361 . 1 1 33 33 PHE CD2 C 13 131.519 0.300 . 1 . . . . 33 PHE CD2 . 11263 1 362 . 1 1 33 33 PHE CE1 C 13 129.916 0.300 . 1 . . . . 33 PHE CE1 . 11263 1 363 . 1 1 33 33 PHE CE2 C 13 129.916 0.300 . 1 . . . . 33 PHE CE2 . 11263 1 364 . 1 1 33 33 PHE N N 15 124.298 0.300 . 1 . . . . 33 PHE N . 11263 1 365 . 1 1 34 34 LYS H H 1 8.541 0.030 . 1 . . . . 34 LYS H . 11263 1 366 . 1 1 34 34 LYS HA H 1 4.134 0.030 . 1 . . . . 34 LYS HA . 11263 1 367 . 1 1 34 34 LYS HB2 H 1 2.063 0.030 . 2 . . . . 34 LYS HB2 . 11263 1 368 . 1 1 34 34 LYS HB3 H 1 1.321 0.030 . 2 . . . . 34 LYS HB3 . 11263 1 369 . 1 1 34 34 LYS HD2 H 1 1.641 0.030 . 2 . . . . 34 LYS HD2 . 11263 1 370 . 1 1 34 34 LYS HD3 H 1 1.784 0.030 . 2 . . . . 34 LYS HD3 . 11263 1 371 . 1 1 34 34 LYS HE2 H 1 2.595 0.030 . 1 . . . . 34 LYS HE2 . 11263 1 372 . 1 1 34 34 LYS HE3 H 1 2.595 0.030 . 1 . . . . 34 LYS HE3 . 11263 1 373 . 1 1 34 34 LYS HG2 H 1 1.712 0.030 . 2 . . . . 34 LYS HG2 . 11263 1 374 . 1 1 34 34 LYS HG3 H 1 1.555 0.030 . 2 . . . . 34 LYS HG3 . 11263 1 375 . 1 1 34 34 LYS C C 13 180.047 0.300 . 1 . . . . 34 LYS C . 11263 1 376 . 1 1 34 34 LYS CA C 13 59.232 0.300 . 1 . . . . 34 LYS CA . 11263 1 377 . 1 1 34 34 LYS CB C 13 34.471 0.300 . 1 . . . . 34 LYS CB . 11263 1 378 . 1 1 34 34 LYS CD C 13 30.529 0.300 . 1 . . . . 34 LYS CD . 11263 1 379 . 1 1 34 34 LYS CE C 13 42.943 0.300 . 1 . . . . 34 LYS CE . 11263 1 380 . 1 1 34 34 LYS CG C 13 25.748 0.300 . 1 . . . . 34 LYS CG . 11263 1 381 . 1 1 34 34 LYS N N 15 119.782 0.300 . 1 . . . . 34 LYS N . 11263 1 382 . 1 1 35 35 GLU H H 1 7.775 0.030 . 1 . . . . 35 GLU H . 11263 1 383 . 1 1 35 35 GLU HA H 1 3.932 0.030 . 1 . . . . 35 GLU HA . 11263 1 384 . 1 1 35 35 GLU HB2 H 1 2.050 0.030 . 2 . . . . 35 GLU HB2 . 11263 1 385 . 1 1 35 35 GLU HB3 H 1 2.200 0.030 . 2 . . . . 35 GLU HB3 . 11263 1 386 . 1 1 35 35 GLU HG2 H 1 2.536 0.030 . 2 . . . . 35 GLU HG2 . 11263 1 387 . 1 1 35 35 GLU HG3 H 1 2.324 0.030 . 2 . . . . 35 GLU HG3 . 11263 1 388 . 1 1 35 35 GLU C C 13 178.673 0.300 . 1 . . . . 35 GLU C . 11263 1 389 . 1 1 35 35 GLU CA C 13 59.151 0.300 . 1 . . . . 35 GLU CA . 11263 1 390 . 1 1 35 35 GLU CB C 13 29.224 0.300 . 1 . . . . 35 GLU CB . 11263 1 391 . 1 1 35 35 GLU CG C 13 36.366 0.300 . 1 . . . . 35 GLU CG . 11263 1 392 . 1 1 35 35 GLU N N 15 116.066 0.300 . 1 . . . . 35 GLU N . 11263 1 393 . 1 1 36 36 HIS H H 1 8.325 0.030 . 1 . . . . 36 HIS H . 11263 1 394 . 1 1 36 36 HIS HA H 1 4.198 0.030 . 1 . . . . 36 HIS HA . 11263 1 395 . 1 1 36 36 HIS HB2 H 1 3.116 0.030 . 2 . . . . 36 HIS HB2 . 11263 1 396 . 1 1 36 36 HIS HB3 H 1 3.308 0.030 . 2 . . . . 36 HIS HB3 . 11263 1 397 . 1 1 36 36 HIS HD2 H 1 6.216 0.030 . 1 . . . . 36 HIS HD2 . 11263 1 398 . 1 1 36 36 HIS HE1 H 1 7.868 0.030 . 1 . . . . 36 HIS HE1 . 11263 1 399 . 1 1 36 36 HIS C C 13 177.785 0.300 . 1 . . . . 36 HIS C . 11263 1 400 . 1 1 36 36 HIS CA C 13 59.737 0.300 . 1 . . . . 36 HIS CA . 11263 1 401 . 1 1 36 36 HIS CB C 13 30.730 0.300 . 1 . . . . 36 HIS CB . 11263 1 402 . 1 1 36 36 HIS CD2 C 13 120.325 0.300 . 1 . . . . 36 HIS CD2 . 11263 1 403 . 1 1 36 36 HIS CE1 C 13 139.557 0.300 . 1 . . . . 36 HIS CE1 . 11263 1 404 . 1 1 36 36 HIS N N 15 120.782 0.300 . 1 . . . . 36 HIS N . 11263 1 405 . 1 1 37 37 ILE H H 1 7.675 0.030 . 1 . . . . 37 ILE H . 11263 1 406 . 1 1 37 37 ILE HA H 1 3.662 0.030 . 1 . . . . 37 ILE HA . 11263 1 407 . 1 1 37 37 ILE HB H 1 1.278 0.030 . 1 . . . . 37 ILE HB . 11263 1 408 . 1 1 37 37 ILE HD11 H 1 0.361 0.030 . 1 . . . . 37 ILE HD1 . 11263 1 409 . 1 1 37 37 ILE HD12 H 1 0.361 0.030 . 1 . . . . 37 ILE HD1 . 11263 1 410 . 1 1 37 37 ILE HD13 H 1 0.361 0.030 . 1 . . . . 37 ILE HD1 . 11263 1 411 . 1 1 37 37 ILE HG12 H 1 1.237 0.030 . 2 . . . . 37 ILE HG12 . 11263 1 412 . 1 1 37 37 ILE HG13 H 1 0.778 0.030 . 2 . . . . 37 ILE HG13 . 11263 1 413 . 1 1 37 37 ILE HG21 H 1 -0.958 0.030 . 1 . . . . 37 ILE HG2 . 11263 1 414 . 1 1 37 37 ILE HG22 H 1 -0.958 0.030 . 1 . . . . 37 ILE HG2 . 11263 1 415 . 1 1 37 37 ILE HG23 H 1 -0.958 0.030 . 1 . . . . 37 ILE HG2 . 11263 1 416 . 1 1 37 37 ILE C C 13 177.360 0.300 . 1 . . . . 37 ILE C . 11263 1 417 . 1 1 37 37 ILE CA C 13 62.027 0.300 . 1 . . . . 37 ILE CA . 11263 1 418 . 1 1 37 37 ILE CB C 13 38.965 0.300 . 1 . . . . 37 ILE CB . 11263 1 419 . 1 1 37 37 ILE CD1 C 13 13.978 0.300 . 1 . . . . 37 ILE CD1 . 11263 1 420 . 1 1 37 37 ILE CG1 C 13 25.014 0.300 . 1 . . . . 37 ILE CG1 . 11263 1 421 . 1 1 37 37 ILE CG2 C 13 15.145 0.300 . 1 . . . . 37 ILE CG2 . 11263 1 422 . 1 1 37 37 ILE N N 15 109.324 0.300 . 1 . . . . 37 ILE N . 11263 1 423 . 1 1 38 38 ALA H H 1 7.125 0.030 . 1 . . . . 38 ALA H . 11263 1 424 . 1 1 38 38 ALA HA H 1 3.829 0.030 . 1 . . . . 38 ALA HA . 11263 1 425 . 1 1 38 38 ALA HB1 H 1 1.442 0.030 . 1 . . . . 38 ALA HB . 11263 1 426 . 1 1 38 38 ALA HB2 H 1 1.442 0.030 . 1 . . . . 38 ALA HB . 11263 1 427 . 1 1 38 38 ALA HB3 H 1 1.442 0.030 . 1 . . . . 38 ALA HB . 11263 1 428 . 1 1 38 38 ALA C C 13 179.742 0.300 . 1 . . . . 38 ALA C . 11263 1 429 . 1 1 38 38 ALA CA C 13 55.913 0.300 . 1 . . . . 38 ALA CA . 11263 1 430 . 1 1 38 38 ALA CB C 13 19.131 0.300 . 1 . . . . 38 ALA CB . 11263 1 431 . 1 1 38 38 ALA N N 15 123.963 0.300 . 1 . . . . 38 ALA N . 11263 1 432 . 1 1 39 39 ALA H H 1 8.689 0.030 . 1 . . . . 39 ALA H . 11263 1 433 . 1 1 39 39 ALA HA H 1 4.098 0.030 . 1 . . . . 39 ALA HA . 11263 1 434 . 1 1 39 39 ALA HB1 H 1 1.408 0.030 . 1 . . . . 39 ALA HB . 11263 1 435 . 1 1 39 39 ALA HB2 H 1 1.408 0.030 . 1 . . . . 39 ALA HB . 11263 1 436 . 1 1 39 39 ALA HB3 H 1 1.408 0.030 . 1 . . . . 39 ALA HB . 11263 1 437 . 1 1 39 39 ALA C C 13 180.046 0.300 . 1 . . . . 39 ALA C . 11263 1 438 . 1 1 39 39 ALA CA C 13 54.740 0.300 . 1 . . . . 39 ALA CA . 11263 1 439 . 1 1 39 39 ALA CB C 13 17.918 0.300 . 1 . . . . 39 ALA CB . 11263 1 440 . 1 1 39 39 ALA N N 15 118.823 0.300 . 1 . . . . 39 ALA N . 11263 1 441 . 1 1 40 40 SER H H 1 8.079 0.030 . 1 . . . . 40 SER H . 11263 1 442 . 1 1 40 40 SER HA H 1 4.369 0.030 . 1 . . . . 40 SER HA . 11263 1 443 . 1 1 40 40 SER HB2 H 1 4.150 0.030 . 2 . . . . 40 SER HB2 . 11263 1 444 . 1 1 40 40 SER HB3 H 1 3.982 0.030 . 2 . . . . 40 SER HB3 . 11263 1 445 . 1 1 40 40 SER C C 13 176.133 0.300 . 1 . . . . 40 SER C . 11263 1 446 . 1 1 40 40 SER CA C 13 61.650 0.300 . 1 . . . . 40 SER CA . 11263 1 447 . 1 1 40 40 SER CB C 13 63.783 0.300 . 1 . . . . 40 SER CB . 11263 1 448 . 1 1 40 40 SER N N 15 114.080 0.300 . 1 . . . . 40 SER N . 11263 1 449 . 1 1 41 41 VAL H H 1 7.734 0.030 . 1 . . . . 41 VAL H . 11263 1 450 . 1 1 41 41 VAL HA H 1 4.328 0.030 . 1 . . . . 41 VAL HA . 11263 1 451 . 1 1 41 41 VAL HB H 1 2.294 0.030 . 1 . . . . 41 VAL HB . 11263 1 452 . 1 1 41 41 VAL HG11 H 1 0.813 0.030 . 1 . . . . 41 VAL HG1 . 11263 1 453 . 1 1 41 41 VAL HG12 H 1 0.813 0.030 . 1 . . . . 41 VAL HG1 . 11263 1 454 . 1 1 41 41 VAL HG13 H 1 0.813 0.030 . 1 . . . . 41 VAL HG1 . 11263 1 455 . 1 1 41 41 VAL HG21 H 1 0.779 0.030 . 1 . . . . 41 VAL HG2 . 11263 1 456 . 1 1 41 41 VAL HG22 H 1 0.779 0.030 . 1 . . . . 41 VAL HG2 . 11263 1 457 . 1 1 41 41 VAL HG23 H 1 0.779 0.030 . 1 . . . . 41 VAL HG2 . 11263 1 458 . 1 1 41 41 VAL C C 13 174.807 0.300 . 1 . . . . 41 VAL C . 11263 1 459 . 1 1 41 41 VAL CA C 13 60.922 0.300 . 1 . . . . 41 VAL CA . 11263 1 460 . 1 1 41 41 VAL CB C 13 31.696 0.300 . 1 . . . . 41 VAL CB . 11263 1 461 . 1 1 41 41 VAL CG1 C 13 20.892 0.300 . 2 . . . . 41 VAL CG1 . 11263 1 462 . 1 1 41 41 VAL CG2 C 13 18.647 0.300 . 2 . . . . 41 VAL CG2 . 11263 1 463 . 1 1 41 41 VAL N N 15 109.992 0.300 . 1 . . . . 41 VAL N . 11263 1 464 . 1 1 42 42 SER H H 1 7.682 0.030 . 1 . . . . 42 SER H . 11263 1 465 . 1 1 42 42 SER HA H 1 3.897 0.030 . 1 . . . . 42 SER HA . 11263 1 466 . 1 1 42 42 SER HB2 H 1 4.014 0.030 . 2 . . . . 42 SER HB2 . 11263 1 467 . 1 1 42 42 SER HB3 H 1 4.121 0.030 . 2 . . . . 42 SER HB3 . 11263 1 468 . 1 1 42 42 SER C C 13 173.742 0.300 . 1 . . . . 42 SER C . 11263 1 469 . 1 1 42 42 SER CA C 13 59.169 0.300 . 1 . . . . 42 SER CA . 11263 1 470 . 1 1 42 42 SER CB C 13 61.357 0.300 . 1 . . . . 42 SER CB . 11263 1 471 . 1 1 42 42 SER N N 15 113.459 0.300 . 1 . . . . 42 SER N . 11263 1 472 . 1 1 43 43 ILE H H 1 7.019 0.030 . 1 . . . . 43 ILE H . 11263 1 473 . 1 1 43 43 ILE HA H 1 4.566 0.030 . 1 . . . . 43 ILE HA . 11263 1 474 . 1 1 43 43 ILE HB H 1 1.378 0.030 . 1 . . . . 43 ILE HB . 11263 1 475 . 1 1 43 43 ILE HD11 H 1 0.710 0.030 . 1 . . . . 43 ILE HD1 . 11263 1 476 . 1 1 43 43 ILE HD12 H 1 0.710 0.030 . 1 . . . . 43 ILE HD1 . 11263 1 477 . 1 1 43 43 ILE HD13 H 1 0.710 0.030 . 1 . . . . 43 ILE HD1 . 11263 1 478 . 1 1 43 43 ILE HG12 H 1 1.613 0.030 . 2 . . . . 43 ILE HG12 . 11263 1 479 . 1 1 43 43 ILE HG13 H 1 0.932 0.030 . 2 . . . . 43 ILE HG13 . 11263 1 480 . 1 1 43 43 ILE HG21 H 1 0.870 0.030 . 1 . . . . 43 ILE HG2 . 11263 1 481 . 1 1 43 43 ILE HG22 H 1 0.870 0.030 . 1 . . . . 43 ILE HG2 . 11263 1 482 . 1 1 43 43 ILE HG23 H 1 0.870 0.030 . 1 . . . . 43 ILE HG2 . 11263 1 483 . 1 1 43 43 ILE CA C 13 58.254 0.300 . 1 . . . . 43 ILE CA . 11263 1 484 . 1 1 43 43 ILE CB C 13 42.595 0.300 . 1 . . . . 43 ILE CB . 11263 1 485 . 1 1 43 43 ILE CD1 C 13 13.492 0.300 . 1 . . . . 43 ILE CD1 . 11263 1 486 . 1 1 43 43 ILE CG1 C 13 26.500 0.300 . 1 . . . . 43 ILE CG1 . 11263 1 487 . 1 1 43 43 ILE CG2 C 13 17.586 0.300 . 1 . . . . 43 ILE CG2 . 11263 1 488 . 1 1 43 43 ILE N N 15 118.402 0.300 . 1 . . . . 43 ILE N . 11263 1 489 . 1 1 44 44 PRO HA H 1 4.361 0.030 . 1 . . . . 44 PRO HA . 11263 1 490 . 1 1 44 44 PRO HB2 H 1 2.427 0.030 . 2 . . . . 44 PRO HB2 . 11263 1 491 . 1 1 44 44 PRO HB3 H 1 1.878 0.030 . 2 . . . . 44 PRO HB3 . 11263 1 492 . 1 1 44 44 PRO HD2 H 1 3.605 0.030 . 2 . . . . 44 PRO HD2 . 11263 1 493 . 1 1 44 44 PRO HD3 H 1 3.761 0.030 . 2 . . . . 44 PRO HD3 . 11263 1 494 . 1 1 44 44 PRO HG2 H 1 1.949 0.030 . 2 . . . . 44 PRO HG2 . 11263 1 495 . 1 1 44 44 PRO HG3 H 1 2.000 0.030 . 2 . . . . 44 PRO HG3 . 11263 1 496 . 1 1 44 44 PRO C C 13 178.621 0.300 . 1 . . . . 44 PRO C . 11263 1 497 . 1 1 44 44 PRO CA C 13 62.753 0.300 . 1 . . . . 44 PRO CA . 11263 1 498 . 1 1 44 44 PRO CB C 13 32.714 0.300 . 1 . . . . 44 PRO CB . 11263 1 499 . 1 1 44 44 PRO CD C 13 51.270 0.300 . 1 . . . . 44 PRO CD . 11263 1 500 . 1 1 44 44 PRO CG C 13 27.738 0.300 . 1 . . . . 44 PRO CG . 11263 1 501 . 1 1 45 45 SER H H 1 9.099 0.030 . 1 . . . . 45 SER H . 11263 1 502 . 1 1 45 45 SER HA H 1 3.812 0.030 . 1 . . . . 45 SER HA . 11263 1 503 . 1 1 45 45 SER HB2 H 1 3.572 0.030 . 2 . . . . 45 SER HB2 . 11263 1 504 . 1 1 45 45 SER HB3 H 1 3.788 0.030 . 2 . . . . 45 SER HB3 . 11263 1 505 . 1 1 45 45 SER C C 13 177.255 0.300 . 1 . . . . 45 SER C . 11263 1 506 . 1 1 45 45 SER CA C 13 62.488 0.300 . 1 . . . . 45 SER CA . 11263 1 507 . 1 1 45 45 SER CB C 13 61.892 0.300 . 1 . . . . 45 SER CB . 11263 1 508 . 1 1 45 45 SER N N 15 119.493 0.300 . 1 . . . . 45 SER N . 11263 1 509 . 1 1 46 46 GLU H H 1 9.388 0.030 . 1 . . . . 46 GLU H . 11263 1 510 . 1 1 46 46 GLU HA H 1 4.246 0.030 . 1 . . . . 46 GLU HA . 11263 1 511 . 1 1 46 46 GLU HB2 H 1 2.069 0.030 . 2 . . . . 46 GLU HB2 . 11263 1 512 . 1 1 46 46 GLU HB3 H 1 2.116 0.030 . 2 . . . . 46 GLU HB3 . 11263 1 513 . 1 1 46 46 GLU HG2 H 1 2.198 0.030 . 2 . . . . 46 GLU HG2 . 11263 1 514 . 1 1 46 46 GLU HG3 H 1 2.358 0.030 . 2 . . . . 46 GLU HG3 . 11263 1 515 . 1 1 46 46 GLU C C 13 176.812 0.300 . 1 . . . . 46 GLU C . 11263 1 516 . 1 1 46 46 GLU CA C 13 58.812 0.300 . 1 . . . . 46 GLU CA . 11263 1 517 . 1 1 46 46 GLU CB C 13 28.366 0.300 . 1 . . . . 46 GLU CB . 11263 1 518 . 1 1 46 46 GLU CG C 13 35.873 0.300 . 1 . . . . 46 GLU CG . 11263 1 519 . 1 1 46 46 GLU N N 15 120.050 0.300 . 1 . . . . 46 GLU N . 11263 1 520 . 1 1 47 47 LYS H H 1 8.036 0.030 . 1 . . . . 47 LYS H . 11263 1 521 . 1 1 47 47 LYS HA H 1 4.464 0.030 . 1 . . . . 47 LYS HA . 11263 1 522 . 1 1 47 47 LYS HB2 H 1 2.200 0.030 . 2 . . . . 47 LYS HB2 . 11263 1 523 . 1 1 47 47 LYS HB3 H 1 1.627 0.030 . 2 . . . . 47 LYS HB3 . 11263 1 524 . 1 1 47 47 LYS HD2 H 1 1.668 0.030 . 2 . . . . 47 LYS HD2 . 11263 1 525 . 1 1 47 47 LYS HD3 H 1 1.706 0.030 . 2 . . . . 47 LYS HD3 . 11263 1 526 . 1 1 47 47 LYS HE2 H 1 2.977 0.030 . 1 . . . . 47 LYS HE2 . 11263 1 527 . 1 1 47 47 LYS HE3 H 1 2.977 0.030 . 1 . . . . 47 LYS HE3 . 11263 1 528 . 1 1 47 47 LYS HG2 H 1 1.343 0.030 . 2 . . . . 47 LYS HG2 . 11263 1 529 . 1 1 47 47 LYS HG3 H 1 1.465 0.030 . 2 . . . . 47 LYS HG3 . 11263 1 530 . 1 1 47 47 LYS C C 13 175.195 0.300 . 1 . . . . 47 LYS C . 11263 1 531 . 1 1 47 47 LYS CA C 13 55.649 0.300 . 1 . . . . 47 LYS CA . 11263 1 532 . 1 1 47 47 LYS CB C 13 33.958 0.300 . 1 . . . . 47 LYS CB . 11263 1 533 . 1 1 47 47 LYS CD C 13 29.378 0.300 . 1 . . . . 47 LYS CD . 11263 1 534 . 1 1 47 47 LYS CE C 13 42.203 0.300 . 1 . . . . 47 LYS CE . 11263 1 535 . 1 1 47 47 LYS CG C 13 26.005 0.300 . 1 . . . . 47 LYS CG . 11263 1 536 . 1 1 47 47 LYS N N 15 117.482 0.300 . 1 . . . . 47 LYS N . 11263 1 537 . 1 1 48 48 GLN H H 1 7.195 0.030 . 1 . . . . 48 GLN H . 11263 1 538 . 1 1 48 48 GLN HA H 1 4.034 0.030 . 1 . . . . 48 GLN HA . 11263 1 539 . 1 1 48 48 GLN HB2 H 1 1.845 0.030 . 1 . . . . 48 GLN HB2 . 11263 1 540 . 1 1 48 48 GLN HB3 H 1 1.845 0.030 . 1 . . . . 48 GLN HB3 . 11263 1 541 . 1 1 48 48 GLN HE21 H 1 6.024 0.030 . 2 . . . . 48 GLN HE21 . 11263 1 542 . 1 1 48 48 GLN HE22 H 1 6.758 0.030 . 2 . . . . 48 GLN HE22 . 11263 1 543 . 1 1 48 48 GLN HG2 H 1 2.505 0.030 . 2 . . . . 48 GLN HG2 . 11263 1 544 . 1 1 48 48 GLN HG3 H 1 1.647 0.030 . 2 . . . . 48 GLN HG3 . 11263 1 545 . 1 1 48 48 GLN C C 13 176.180 0.300 . 1 . . . . 48 GLN C . 11263 1 546 . 1 1 48 48 GLN CA C 13 57.153 0.300 . 1 . . . . 48 GLN CA . 11263 1 547 . 1 1 48 48 GLN CB C 13 30.997 0.300 . 1 . . . . 48 GLN CB . 11263 1 548 . 1 1 48 48 GLN CG C 13 33.681 0.300 . 1 . . . . 48 GLN CG . 11263 1 549 . 1 1 48 48 GLN N N 15 118.968 0.300 . 1 . . . . 48 GLN N . 11263 1 550 . 1 1 48 48 GLN NE2 N 15 102.080 0.300 . 1 . . . . 48 GLN NE2 . 11263 1 551 . 1 1 49 49 ARG H H 1 8.613 0.030 . 1 . . . . 49 ARG H . 11263 1 552 . 1 1 49 49 ARG HA H 1 4.465 0.030 . 1 . . . . 49 ARG HA . 11263 1 553 . 1 1 49 49 ARG HB2 H 1 1.723 0.030 . 2 . . . . 49 ARG HB2 . 11263 1 554 . 1 1 49 49 ARG HB3 H 1 1.559 0.030 . 2 . . . . 49 ARG HB3 . 11263 1 555 . 1 1 49 49 ARG HD2 H 1 3.048 0.030 . 2 . . . . 49 ARG HD2 . 11263 1 556 . 1 1 49 49 ARG HD3 H 1 3.104 0.030 . 2 . . . . 49 ARG HD3 . 11263 1 557 . 1 1 49 49 ARG HG2 H 1 1.556 0.030 . 2 . . . . 49 ARG HG2 . 11263 1 558 . 1 1 49 49 ARG HG3 H 1 1.337 0.030 . 2 . . . . 49 ARG HG3 . 11263 1 559 . 1 1 49 49 ARG C C 13 173.529 0.300 . 1 . . . . 49 ARG C . 11263 1 560 . 1 1 49 49 ARG CA C 13 55.456 0.300 . 1 . . . . 49 ARG CA . 11263 1 561 . 1 1 49 49 ARG CB C 13 31.901 0.300 . 1 . . . . 49 ARG CB . 11263 1 562 . 1 1 49 49 ARG CD C 13 43.833 0.300 . 1 . . . . 49 ARG CD . 11263 1 563 . 1 1 49 49 ARG CG C 13 26.996 0.300 . 1 . . . . 49 ARG CG . 11263 1 564 . 1 1 49 49 ARG N N 15 123.963 0.300 . 1 . . . . 49 ARG N . 11263 1 565 . 1 1 50 50 LEU H H 1 8.395 0.030 . 1 . . . . 50 LEU H . 11263 1 566 . 1 1 50 50 LEU HA H 1 5.445 0.030 . 1 . . . . 50 LEU HA . 11263 1 567 . 1 1 50 50 LEU HB2 H 1 1.649 0.030 . 2 . . . . 50 LEU HB2 . 11263 1 568 . 1 1 50 50 LEU HB3 H 1 1.228 0.030 . 2 . . . . 50 LEU HB3 . 11263 1 569 . 1 1 50 50 LEU HD11 H 1 1.025 0.030 . 1 . . . . 50 LEU HD1 . 11263 1 570 . 1 1 50 50 LEU HD12 H 1 1.025 0.030 . 1 . . . . 50 LEU HD1 . 11263 1 571 . 1 1 50 50 LEU HD13 H 1 1.025 0.030 . 1 . . . . 50 LEU HD1 . 11263 1 572 . 1 1 50 50 LEU HD21 H 1 0.945 0.030 . 1 . . . . 50 LEU HD2 . 11263 1 573 . 1 1 50 50 LEU HD22 H 1 0.945 0.030 . 1 . . . . 50 LEU HD2 . 11263 1 574 . 1 1 50 50 LEU HD23 H 1 0.945 0.030 . 1 . . . . 50 LEU HD2 . 11263 1 575 . 1 1 50 50 LEU HG H 1 1.623 0.030 . 1 . . . . 50 LEU HG . 11263 1 576 . 1 1 50 50 LEU C C 13 175.609 0.300 . 1 . . . . 50 LEU C . 11263 1 577 . 1 1 50 50 LEU CA C 13 52.816 0.300 . 1 . . . . 50 LEU CA . 11263 1 578 . 1 1 50 50 LEU CB C 13 44.498 0.300 . 1 . . . . 50 LEU CB . 11263 1 579 . 1 1 50 50 LEU CD1 C 13 27.717 0.300 . 2 . . . . 50 LEU CD1 . 11263 1 580 . 1 1 50 50 LEU CD2 C 13 23.870 0.300 . 2 . . . . 50 LEU CD2 . 11263 1 581 . 1 1 50 50 LEU CG C 13 27.000 0.300 . 1 . . . . 50 LEU CG . 11263 1 582 . 1 1 50 50 LEU N N 15 126.131 0.300 . 1 . . . . 50 LEU N . 11263 1 583 . 1 1 51 51 ILE H H 1 9.378 0.030 . 1 . . . . 51 ILE H . 11263 1 584 . 1 1 51 51 ILE HA H 1 4.900 0.030 . 1 . . . . 51 ILE HA . 11263 1 585 . 1 1 51 51 ILE HB H 1 1.668 0.030 . 1 . . . . 51 ILE HB . 11263 1 586 . 1 1 51 51 ILE HD11 H 1 0.725 0.030 . 1 . . . . 51 ILE HD1 . 11263 1 587 . 1 1 51 51 ILE HD12 H 1 0.725 0.030 . 1 . . . . 51 ILE HD1 . 11263 1 588 . 1 1 51 51 ILE HD13 H 1 0.725 0.030 . 1 . . . . 51 ILE HD1 . 11263 1 589 . 1 1 51 51 ILE HG12 H 1 1.422 0.030 . 2 . . . . 51 ILE HG12 . 11263 1 590 . 1 1 51 51 ILE HG13 H 1 0.853 0.030 . 2 . . . . 51 ILE HG13 . 11263 1 591 . 1 1 51 51 ILE HG21 H 1 0.679 0.030 . 1 . . . . 51 ILE HG2 . 11263 1 592 . 1 1 51 51 ILE HG22 H 1 0.679 0.030 . 1 . . . . 51 ILE HG2 . 11263 1 593 . 1 1 51 51 ILE HG23 H 1 0.679 0.030 . 1 . . . . 51 ILE HG2 . 11263 1 594 . 1 1 51 51 ILE C C 13 175.026 0.300 . 1 . . . . 51 ILE C . 11263 1 595 . 1 1 51 51 ILE CA C 13 60.031 0.300 . 1 . . . . 51 ILE CA . 11263 1 596 . 1 1 51 51 ILE CB C 13 41.687 0.300 . 1 . . . . 51 ILE CB . 11263 1 597 . 1 1 51 51 ILE CD1 C 13 14.092 0.300 . 1 . . . . 51 ILE CD1 . 11263 1 598 . 1 1 51 51 ILE CG1 C 13 27.879 0.300 . 1 . . . . 51 ILE CG1 . 11263 1 599 . 1 1 51 51 ILE CG2 C 13 18.116 0.300 . 1 . . . . 51 ILE CG2 . 11263 1 600 . 1 1 51 51 ILE N N 15 122.704 0.300 . 1 . . . . 51 ILE N . 11263 1 601 . 1 1 52 52 TYR H H 1 9.008 0.030 . 1 . . . . 52 TYR H . 11263 1 602 . 1 1 52 52 TYR HA H 1 5.235 0.030 . 1 . . . . 52 TYR HA . 11263 1 603 . 1 1 52 52 TYR HB2 H 1 2.675 0.030 . 2 . . . . 52 TYR HB2 . 11263 1 604 . 1 1 52 52 TYR HB3 H 1 2.834 0.030 . 2 . . . . 52 TYR HB3 . 11263 1 605 . 1 1 52 52 TYR HD1 H 1 7.231 0.030 . 1 . . . . 52 TYR HD1 . 11263 1 606 . 1 1 52 52 TYR HD2 H 1 7.231 0.030 . 1 . . . . 52 TYR HD2 . 11263 1 607 . 1 1 52 52 TYR HE1 H 1 6.913 0.030 . 1 . . . . 52 TYR HE1 . 11263 1 608 . 1 1 52 52 TYR HE2 H 1 6.913 0.030 . 1 . . . . 52 TYR HE2 . 11263 1 609 . 1 1 52 52 TYR C C 13 175.072 0.300 . 1 . . . . 52 TYR C . 11263 1 610 . 1 1 52 52 TYR CA C 13 56.500 0.300 . 1 . . . . 52 TYR CA . 11263 1 611 . 1 1 52 52 TYR CB C 13 42.098 0.300 . 1 . . . . 52 TYR CB . 11263 1 612 . 1 1 52 52 TYR CD1 C 13 133.148 0.300 . 1 . . . . 52 TYR CD1 . 11263 1 613 . 1 1 52 52 TYR CD2 C 13 133.148 0.300 . 1 . . . . 52 TYR CD2 . 11263 1 614 . 1 1 52 52 TYR CE1 C 13 118.853 0.300 . 1 . . . . 52 TYR CE1 . 11263 1 615 . 1 1 52 52 TYR CE2 C 13 118.853 0.300 . 1 . . . . 52 TYR CE2 . 11263 1 616 . 1 1 52 52 TYR N N 15 126.198 0.300 . 1 . . . . 52 TYR N . 11263 1 617 . 1 1 53 53 GLN H H 1 9.280 0.030 . 1 . . . . 53 GLN H . 11263 1 618 . 1 1 53 53 GLN HA H 1 3.645 0.030 . 1 . . . . 53 GLN HA . 11263 1 619 . 1 1 53 53 GLN HB2 H 1 1.586 0.030 . 2 . . . . 53 GLN HB2 . 11263 1 620 . 1 1 53 53 GLN HB3 H 1 1.941 0.030 . 2 . . . . 53 GLN HB3 . 11263 1 621 . 1 1 53 53 GLN HE21 H 1 7.156 0.030 . 2 . . . . 53 GLN HE21 . 11263 1 622 . 1 1 53 53 GLN HE22 H 1 6.802 0.030 . 2 . . . . 53 GLN HE22 . 11263 1 623 . 1 1 53 53 GLN HG2 H 1 1.636 0.030 . 2 . . . . 53 GLN HG2 . 11263 1 624 . 1 1 53 53 GLN HG3 H 1 1.279 0.030 . 2 . . . . 53 GLN HG3 . 11263 1 625 . 1 1 53 53 GLN C C 13 176.156 0.300 . 1 . . . . 53 GLN C . 11263 1 626 . 1 1 53 53 GLN CA C 13 56.354 0.300 . 1 . . . . 53 GLN CA . 11263 1 627 . 1 1 53 53 GLN CB C 13 26.369 0.300 . 1 . . . . 53 GLN CB . 11263 1 628 . 1 1 53 53 GLN CG C 13 33.186 0.300 . 1 . . . . 53 GLN CG . 11263 1 629 . 1 1 53 53 GLN N N 15 128.075 0.300 . 1 . . . . 53 GLN N . 11263 1 630 . 1 1 53 53 GLN NE2 N 15 111.599 0.300 . 1 . . . . 53 GLN NE2 . 11263 1 631 . 1 1 54 54 GLY H H 1 8.191 0.030 . 1 . . . . 54 GLY H . 11263 1 632 . 1 1 54 54 GLY HA2 H 1 3.437 0.030 . 2 . . . . 54 GLY HA2 . 11263 1 633 . 1 1 54 54 GLY HA3 H 1 4.078 0.030 . 2 . . . . 54 GLY HA3 . 11263 1 634 . 1 1 54 54 GLY C C 13 173.563 0.300 . 1 . . . . 54 GLY C . 11263 1 635 . 1 1 54 54 GLY CA C 13 45.319 0.300 . 1 . . . . 54 GLY CA . 11263 1 636 . 1 1 54 54 GLY N N 15 103.045 0.300 . 1 . . . . 54 GLY N . 11263 1 637 . 1 1 55 55 ARG H H 1 7.869 0.030 . 1 . . . . 55 ARG H . 11263 1 638 . 1 1 55 55 ARG HA H 1 4.627 0.030 . 1 . . . . 55 ARG HA . 11263 1 639 . 1 1 55 55 ARG HB2 H 1 1.955 0.030 . 1 . . . . 55 ARG HB2 . 11263 1 640 . 1 1 55 55 ARG HB3 H 1 1.955 0.030 . 1 . . . . 55 ARG HB3 . 11263 1 641 . 1 1 55 55 ARG HD2 H 1 3.356 0.030 . 1 . . . . 55 ARG HD2 . 11263 1 642 . 1 1 55 55 ARG HD3 H 1 3.356 0.030 . 1 . . . . 55 ARG HD3 . 11263 1 643 . 1 1 55 55 ARG HG2 H 1 1.660 0.030 . 2 . . . . 55 ARG HG2 . 11263 1 644 . 1 1 55 55 ARG HG3 H 1 1.765 0.030 . 2 . . . . 55 ARG HG3 . 11263 1 645 . 1 1 55 55 ARG C C 13 174.526 0.300 . 1 . . . . 55 ARG C . 11263 1 646 . 1 1 55 55 ARG CA C 13 54.664 0.300 . 1 . . . . 55 ARG CA . 11263 1 647 . 1 1 55 55 ARG CB C 13 32.107 0.300 . 1 . . . . 55 ARG CB . 11263 1 648 . 1 1 55 55 ARG CD C 13 44.081 0.300 . 1 . . . . 55 ARG CD . 11263 1 649 . 1 1 55 55 ARG CG C 13 26.958 0.300 . 1 . . . . 55 ARG CG . 11263 1 650 . 1 1 55 55 ARG N N 15 121.616 0.300 . 1 . . . . 55 ARG N . 11263 1 651 . 1 1 56 56 VAL H H 1 8.563 0.030 . 1 . . . . 56 VAL H . 11263 1 652 . 1 1 56 56 VAL HA H 1 4.312 0.030 . 1 . . . . 56 VAL HA . 11263 1 653 . 1 1 56 56 VAL HB H 1 1.914 0.030 . 1 . . . . 56 VAL HB . 11263 1 654 . 1 1 56 56 VAL HG11 H 1 0.925 0.030 . 1 . . . . 56 VAL HG1 . 11263 1 655 . 1 1 56 56 VAL HG12 H 1 0.925 0.030 . 1 . . . . 56 VAL HG1 . 11263 1 656 . 1 1 56 56 VAL HG13 H 1 0.925 0.030 . 1 . . . . 56 VAL HG1 . 11263 1 657 . 1 1 56 56 VAL HG21 H 1 0.925 0.030 . 1 . . . . 56 VAL HG2 . 11263 1 658 . 1 1 56 56 VAL HG22 H 1 0.925 0.030 . 1 . . . . 56 VAL HG2 . 11263 1 659 . 1 1 56 56 VAL HG23 H 1 0.925 0.030 . 1 . . . . 56 VAL HG2 . 11263 1 660 . 1 1 56 56 VAL C C 13 177.117 0.300 . 1 . . . . 56 VAL C . 11263 1 661 . 1 1 56 56 VAL CA C 13 62.239 0.300 . 1 . . . . 56 VAL CA . 11263 1 662 . 1 1 56 56 VAL CB C 13 31.901 0.300 . 1 . . . . 56 VAL CB . 11263 1 663 . 1 1 56 56 VAL CG1 C 13 21.897 0.300 . 2 . . . . 56 VAL CG1 . 11263 1 664 . 1 1 56 56 VAL CG2 C 13 21.897 0.300 . 2 . . . . 56 VAL CG2 . 11263 1 665 . 1 1 56 56 VAL N N 15 124.445 0.300 . 1 . . . . 56 VAL N . 11263 1 666 . 1 1 57 57 LEU H H 1 8.743 0.030 . 1 . . . . 57 LEU H . 11263 1 667 . 1 1 57 57 LEU HA H 1 3.850 0.030 . 1 . . . . 57 LEU HA . 11263 1 668 . 1 1 57 57 LEU HB2 H 1 1.408 0.030 . 2 . . . . 57 LEU HB2 . 11263 1 669 . 1 1 57 57 LEU HB3 H 1 1.147 0.030 . 2 . . . . 57 LEU HB3 . 11263 1 670 . 1 1 57 57 LEU HD11 H 1 0.472 0.030 . 1 . . . . 57 LEU HD1 . 11263 1 671 . 1 1 57 57 LEU HD12 H 1 0.472 0.030 . 1 . . . . 57 LEU HD1 . 11263 1 672 . 1 1 57 57 LEU HD13 H 1 0.472 0.030 . 1 . . . . 57 LEU HD1 . 11263 1 673 . 1 1 57 57 LEU HD21 H 1 -0.038 0.030 . 1 . . . . 57 LEU HD2 . 11263 1 674 . 1 1 57 57 LEU HD22 H 1 -0.038 0.030 . 1 . . . . 57 LEU HD2 . 11263 1 675 . 1 1 57 57 LEU HD23 H 1 -0.038 0.030 . 1 . . . . 57 LEU HD2 . 11263 1 676 . 1 1 57 57 LEU HG H 1 0.784 0.030 . 1 . . . . 57 LEU HG . 11263 1 677 . 1 1 57 57 LEU C C 13 176.290 0.300 . 1 . . . . 57 LEU C . 11263 1 678 . 1 1 57 57 LEU CA C 13 56.001 0.300 . 1 . . . . 57 LEU CA . 11263 1 679 . 1 1 57 57 LEU CB C 13 40.872 0.300 . 1 . . . . 57 LEU CB . 11263 1 680 . 1 1 57 57 LEU CD1 C 13 25.021 0.300 . 2 . . . . 57 LEU CD1 . 11263 1 681 . 1 1 57 57 LEU CD2 C 13 21.897 0.300 . 2 . . . . 57 LEU CD2 . 11263 1 682 . 1 1 57 57 LEU CG C 13 27.331 0.300 . 1 . . . . 57 LEU CG . 11263 1 683 . 1 1 57 57 LEU N N 15 129.571 0.300 . 1 . . . . 57 LEU N . 11263 1 684 . 1 1 58 58 GLN H H 1 8.195 0.030 . 1 . . . . 58 GLN H . 11263 1 685 . 1 1 58 58 GLN HA H 1 4.423 0.030 . 1 . . . . 58 GLN HA . 11263 1 686 . 1 1 58 58 GLN HB2 H 1 2.045 0.030 . 2 . . . . 58 GLN HB2 . 11263 1 687 . 1 1 58 58 GLN HB3 H 1 2.291 0.030 . 2 . . . . 58 GLN HB3 . 11263 1 688 . 1 1 58 58 GLN HE21 H 1 7.023 0.030 . 2 . . . . 58 GLN HE21 . 11263 1 689 . 1 1 58 58 GLN HE22 H 1 7.867 0.030 . 2 . . . . 58 GLN HE22 . 11263 1 690 . 1 1 58 58 GLN HG2 H 1 2.541 0.030 . 1 . . . . 58 GLN HG2 . 11263 1 691 . 1 1 58 58 GLN HG3 H 1 2.541 0.030 . 1 . . . . 58 GLN HG3 . 11263 1 692 . 1 1 58 58 GLN C C 13 176.484 0.300 . 1 . . . . 58 GLN C . 11263 1 693 . 1 1 58 58 GLN CA C 13 55.439 0.300 . 1 . . . . 58 GLN CA . 11263 1 694 . 1 1 58 58 GLN CB C 13 30.705 0.300 . 1 . . . . 58 GLN CB . 11263 1 695 . 1 1 58 58 GLN CG C 13 34.064 0.300 . 1 . . . . 58 GLN CG . 11263 1 696 . 1 1 58 58 GLN N N 15 122.505 0.300 . 1 . . . . 58 GLN N . 11263 1 697 . 1 1 58 58 GLN NE2 N 15 114.434 0.300 . 1 . . . . 58 GLN NE2 . 11263 1 698 . 1 1 59 59 ASP H H 1 8.241 0.030 . 1 . . . . 59 ASP H . 11263 1 699 . 1 1 59 59 ASP HA H 1 4.364 0.030 . 1 . . . . 59 ASP HA . 11263 1 700 . 1 1 59 59 ASP HB2 H 1 2.589 0.030 . 2 . . . . 59 ASP HB2 . 11263 1 701 . 1 1 59 59 ASP C C 13 176.435 0.300 . 1 . . . . 59 ASP C . 11263 1 702 . 1 1 59 59 ASP CA C 13 57.706 0.300 . 1 . . . . 59 ASP CA . 11263 1 703 . 1 1 59 59 ASP CB C 13 42.057 0.300 . 1 . . . . 59 ASP CB . 11263 1 704 . 1 1 59 59 ASP N N 15 121.293 0.300 . 1 . . . . 59 ASP N . 11263 1 705 . 1 1 60 60 ASP H H 1 8.460 0.030 . 1 . . . . 60 ASP H . 11263 1 706 . 1 1 60 60 ASP HA H 1 4.600 0.030 . 1 . . . . 60 ASP HA . 11263 1 707 . 1 1 60 60 ASP HB2 H 1 2.842 0.030 . 2 . . . . 60 ASP HB2 . 11263 1 708 . 1 1 60 60 ASP HB3 H 1 2.657 0.030 . 2 . . . . 60 ASP HB3 . 11263 1 709 . 1 1 60 60 ASP C C 13 176.545 0.300 . 1 . . . . 60 ASP C . 11263 1 710 . 1 1 60 60 ASP CA C 13 53.820 0.300 . 1 . . . . 60 ASP CA . 11263 1 711 . 1 1 60 60 ASP CB C 13 40.158 0.300 . 1 . . . . 60 ASP CB . 11263 1 712 . 1 1 60 60 ASP N N 15 112.872 0.300 . 1 . . . . 60 ASP N . 11263 1 713 . 1 1 61 61 LYS H H 1 7.758 0.030 . 1 . . . . 61 LYS H . 11263 1 714 . 1 1 61 61 LYS HA H 1 4.505 0.030 . 1 . . . . 61 LYS HA . 11263 1 715 . 1 1 61 61 LYS HB2 H 1 2.227 0.030 . 2 . . . . 61 LYS HB2 . 11263 1 716 . 1 1 61 61 LYS HB3 H 1 1.650 0.030 . 2 . . . . 61 LYS HB3 . 11263 1 717 . 1 1 61 61 LYS HD2 H 1 1.551 0.030 . 2 . . . . 61 LYS HD2 . 11263 1 718 . 1 1 61 61 LYS HD3 H 1 1.636 0.030 . 2 . . . . 61 LYS HD3 . 11263 1 719 . 1 1 61 61 LYS HE2 H 1 2.868 0.030 . 2 . . . . 61 LYS HE2 . 11263 1 720 . 1 1 61 61 LYS HG2 H 1 1.417 0.030 . 2 . . . . 61 LYS HG2 . 11263 1 721 . 1 1 61 61 LYS HG3 H 1 1.560 0.030 . 2 . . . . 61 LYS HG3 . 11263 1 722 . 1 1 61 61 LYS C C 13 176.338 0.300 . 1 . . . . 61 LYS C . 11263 1 723 . 1 1 61 61 LYS CA C 13 54.892 0.300 . 1 . . . . 61 LYS CA . 11263 1 724 . 1 1 61 61 LYS CB C 13 34.176 0.300 . 1 . . . . 61 LYS CB . 11263 1 725 . 1 1 61 61 LYS CD C 13 28.234 0.300 . 1 . . . . 61 LYS CD . 11263 1 726 . 1 1 61 61 LYS CE C 13 42.450 0.300 . 1 . . . . 61 LYS CE . 11263 1 727 . 1 1 61 61 LYS CG C 13 25.499 0.300 . 1 . . . . 61 LYS CG . 11263 1 728 . 1 1 61 61 LYS N N 15 120.570 0.300 . 1 . . . . 61 LYS N . 11263 1 729 . 1 1 62 62 LYS H H 1 8.950 0.030 . 1 . . . . 62 LYS H . 11263 1 730 . 1 1 62 62 LYS HA H 1 4.377 0.030 . 1 . . . . 62 LYS HA . 11263 1 731 . 1 1 62 62 LYS HB2 H 1 2.111 0.030 . 2 . . . . 62 LYS HB2 . 11263 1 732 . 1 1 62 62 LYS HB3 H 1 1.750 0.030 . 2 . . . . 62 LYS HB3 . 11263 1 733 . 1 1 62 62 LYS HD2 H 1 1.682 0.030 . 1 . . . . 62 LYS HD2 . 11263 1 734 . 1 1 62 62 LYS HD3 H 1 1.682 0.030 . 1 . . . . 62 LYS HD3 . 11263 1 735 . 1 1 62 62 LYS HE2 H 1 3.097 0.030 . 1 . . . . 62 LYS HE2 . 11263 1 736 . 1 1 62 62 LYS HE3 H 1 3.097 0.030 . 1 . . . . 62 LYS HE3 . 11263 1 737 . 1 1 62 62 LYS HG2 H 1 1.458 0.030 . 2 . . . . 62 LYS HG2 . 11263 1 738 . 1 1 62 62 LYS HG3 H 1 1.683 0.030 . 2 . . . . 62 LYS HG3 . 11263 1 739 . 1 1 62 62 LYS C C 13 178.425 0.300 . 1 . . . . 62 LYS C . 11263 1 740 . 1 1 62 62 LYS CA C 13 56.423 0.300 . 1 . . . . 62 LYS CA . 11263 1 741 . 1 1 62 62 LYS CB C 13 32.691 0.300 . 1 . . . . 62 LYS CB . 11263 1 742 . 1 1 62 62 LYS CD C 13 29.224 0.300 . 1 . . . . 62 LYS CD . 11263 1 743 . 1 1 62 62 LYS CE C 13 42.367 0.300 . 1 . . . . 62 LYS CE . 11263 1 744 . 1 1 62 62 LYS CG C 13 25.925 0.300 . 1 . . . . 62 LYS CG . 11263 1 745 . 1 1 62 62 LYS N N 15 119.493 0.300 . 1 . . . . 62 LYS N . 11263 1 746 . 1 1 63 63 LEU H H 1 8.253 0.030 . 1 . . . . 63 LEU H . 11263 1 747 . 1 1 63 63 LEU HA H 1 3.836 0.030 . 1 . . . . 63 LEU HA . 11263 1 748 . 1 1 63 63 LEU HB2 H 1 1.003 0.030 . 2 . . . . 63 LEU HB2 . 11263 1 749 . 1 1 63 63 LEU HB3 H 1 1.581 0.030 . 2 . . . . 63 LEU HB3 . 11263 1 750 . 1 1 63 63 LEU HD11 H 1 0.192 0.030 . 1 . . . . 63 LEU HD1 . 11263 1 751 . 1 1 63 63 LEU HD12 H 1 0.192 0.030 . 1 . . . . 63 LEU HD1 . 11263 1 752 . 1 1 63 63 LEU HD13 H 1 0.192 0.030 . 1 . . . . 63 LEU HD1 . 11263 1 753 . 1 1 63 63 LEU HD21 H 1 0.318 0.030 . 1 . . . . 63 LEU HD2 . 11263 1 754 . 1 1 63 63 LEU HD22 H 1 0.318 0.030 . 1 . . . . 63 LEU HD2 . 11263 1 755 . 1 1 63 63 LEU HD23 H 1 0.318 0.030 . 1 . . . . 63 LEU HD2 . 11263 1 756 . 1 1 63 63 LEU HG H 1 1.256 0.030 . 1 . . . . 63 LEU HG . 11263 1 757 . 1 1 63 63 LEU C C 13 180.301 0.300 . 1 . . . . 63 LEU C . 11263 1 758 . 1 1 63 63 LEU CA C 13 58.631 0.300 . 1 . . . . 63 LEU CA . 11263 1 759 . 1 1 63 63 LEU CB C 13 41.769 0.300 . 1 . . . . 63 LEU CB . 11263 1 760 . 1 1 63 63 LEU CD1 C 13 22.705 0.300 . 2 . . . . 63 LEU CD1 . 11263 1 761 . 1 1 63 63 LEU CD2 C 13 25.745 0.300 . 2 . . . . 63 LEU CD2 . 11263 1 762 . 1 1 63 63 LEU CG C 13 26.752 0.300 . 1 . . . . 63 LEU CG . 11263 1 763 . 1 1 63 63 LEU N N 15 122.734 0.300 . 1 . . . . 63 LEU N . 11263 1 764 . 1 1 64 64 GLN H H 1 9.099 0.030 . 1 . . . . 64 GLN H . 11263 1 765 . 1 1 64 64 GLN HA H 1 4.066 0.030 . 1 . . . . 64 GLN HA . 11263 1 766 . 1 1 64 64 GLN HB2 H 1 1.980 0.030 . 2 . . . . 64 GLN HB2 . 11263 1 767 . 1 1 64 64 GLN HB3 H 1 2.138 0.030 . 2 . . . . 64 GLN HB3 . 11263 1 768 . 1 1 64 64 GLN HE21 H 1 7.398 0.030 . 2 . . . . 64 GLN HE21 . 11263 1 769 . 1 1 64 64 GLN HE22 H 1 6.796 0.030 . 2 . . . . 64 GLN HE22 . 11263 1 770 . 1 1 64 64 GLN HG2 H 1 2.381 0.030 . 1 . . . . 64 GLN HG2 . 11263 1 771 . 1 1 64 64 GLN HG3 H 1 2.381 0.030 . 1 . . . . 64 GLN HG3 . 11263 1 772 . 1 1 64 64 GLN C C 13 178.307 0.300 . 1 . . . . 64 GLN C . 11263 1 773 . 1 1 64 64 GLN CA C 13 58.250 0.300 . 1 . . . . 64 GLN CA . 11263 1 774 . 1 1 64 64 GLN CB C 13 28.743 0.300 . 1 . . . . 64 GLN CB . 11263 1 775 . 1 1 64 64 GLN CG C 13 33.433 0.300 . 1 . . . . 64 GLN CG . 11263 1 776 . 1 1 64 64 GLN N N 15 115.289 0.300 . 1 . . . . 64 GLN N . 11263 1 777 . 1 1 64 64 GLN NE2 N 15 111.068 0.300 . 1 . . . . 64 GLN NE2 . 11263 1 778 . 1 1 65 65 GLU H H 1 7.512 0.030 . 1 . . . . 65 GLU H . 11263 1 779 . 1 1 65 65 GLU HA H 1 4.000 0.030 . 1 . . . . 65 GLU HA . 11263 1 780 . 1 1 65 65 GLU HB2 H 1 1.983 0.030 . 2 . . . . 65 GLU HB2 . 11263 1 781 . 1 1 65 65 GLU HB3 H 1 1.819 0.030 . 2 . . . . 65 GLU HB3 . 11263 1 782 . 1 1 65 65 GLU HG2 H 1 2.139 0.030 . 1 . . . . 65 GLU HG2 . 11263 1 783 . 1 1 65 65 GLU HG3 H 1 2.139 0.030 . 1 . . . . 65 GLU HG3 . 11263 1 784 . 1 1 65 65 GLU C C 13 177.372 0.300 . 1 . . . . 65 GLU C . 11263 1 785 . 1 1 65 65 GLU CA C 13 58.676 0.300 . 1 . . . . 65 GLU CA . 11263 1 786 . 1 1 65 65 GLU CB C 13 29.245 0.300 . 1 . . . . 65 GLU CB . 11263 1 787 . 1 1 65 65 GLU CG C 13 37.678 0.300 . 1 . . . . 65 GLU CG . 11263 1 788 . 1 1 65 65 GLU N N 15 118.083 0.300 . 1 . . . . 65 GLU N . 11263 1 789 . 1 1 66 66 TYR H H 1 7.496 0.030 . 1 . . . . 66 TYR H . 11263 1 790 . 1 1 66 66 TYR HA H 1 4.459 0.030 . 1 . . . . 66 TYR HA . 11263 1 791 . 1 1 66 66 TYR HB2 H 1 3.126 0.030 . 2 . . . . 66 TYR HB2 . 11263 1 792 . 1 1 66 66 TYR HB3 H 1 2.613 0.030 . 2 . . . . 66 TYR HB3 . 11263 1 793 . 1 1 66 66 TYR HD1 H 1 7.132 0.030 . 1 . . . . 66 TYR HD1 . 11263 1 794 . 1 1 66 66 TYR HD2 H 1 7.132 0.030 . 1 . . . . 66 TYR HD2 . 11263 1 795 . 1 1 66 66 TYR HE1 H 1 6.797 0.030 . 1 . . . . 66 TYR HE1 . 11263 1 796 . 1 1 66 66 TYR HE2 H 1 6.797 0.030 . 1 . . . . 66 TYR HE2 . 11263 1 797 . 1 1 66 66 TYR C C 13 175.256 0.300 . 1 . . . . 66 TYR C . 11263 1 798 . 1 1 66 66 TYR CA C 13 58.904 0.300 . 1 . . . . 66 TYR CA . 11263 1 799 . 1 1 66 66 TYR CB C 13 39.871 0.300 . 1 . . . . 66 TYR CB . 11263 1 800 . 1 1 66 66 TYR CD1 C 13 133.123 0.300 . 1 . . . . 66 TYR CD1 . 11263 1 801 . 1 1 66 66 TYR CD2 C 13 133.123 0.300 . 1 . . . . 66 TYR CD2 . 11263 1 802 . 1 1 66 66 TYR CE1 C 13 118.728 0.300 . 1 . . . . 66 TYR CE1 . 11263 1 803 . 1 1 66 66 TYR CE2 C 13 118.728 0.300 . 1 . . . . 66 TYR CE2 . 11263 1 804 . 1 1 66 66 TYR N N 15 114.912 0.300 . 1 . . . . 66 TYR N . 11263 1 805 . 1 1 67 67 ASN H H 1 7.812 0.030 . 1 . . . . 67 ASN H . 11263 1 806 . 1 1 67 67 ASN HA H 1 4.505 0.030 . 1 . . . . 67 ASN HA . 11263 1 807 . 1 1 67 67 ASN HB2 H 1 2.759 0.030 . 2 . . . . 67 ASN HB2 . 11263 1 808 . 1 1 67 67 ASN HB3 H 1 3.236 0.030 . 2 . . . . 67 ASN HB3 . 11263 1 809 . 1 1 67 67 ASN HD21 H 1 6.867 0.030 . 2 . . . . 67 ASN HD21 . 11263 1 810 . 1 1 67 67 ASN HD22 H 1 7.582 0.030 . 2 . . . . 67 ASN HD22 . 11263 1 811 . 1 1 67 67 ASN C C 13 175.646 0.300 . 1 . . . . 67 ASN C . 11263 1 812 . 1 1 67 67 ASN CA C 13 54.329 0.300 . 1 . . . . 67 ASN CA . 11263 1 813 . 1 1 67 67 ASN CB C 13 36.835 0.300 . 1 . . . . 67 ASN CB . 11263 1 814 . 1 1 67 67 ASN N N 15 115.736 0.300 . 1 . . . . 67 ASN N . 11263 1 815 . 1 1 67 67 ASN ND2 N 15 112.080 0.300 . 1 . . . . 67 ASN ND2 . 11263 1 816 . 1 1 68 68 VAL H H 1 7.003 0.030 . 1 . . . . 68 VAL H . 11263 1 817 . 1 1 68 68 VAL HA H 1 3.671 0.030 . 1 . . . . 68 VAL HA . 11263 1 818 . 1 1 68 68 VAL HB H 1 2.087 0.030 . 1 . . . . 68 VAL HB . 11263 1 819 . 1 1 68 68 VAL HG11 H 1 0.027 0.030 . 1 . . . . 68 VAL HG1 . 11263 1 820 . 1 1 68 68 VAL HG12 H 1 0.027 0.030 . 1 . . . . 68 VAL HG1 . 11263 1 821 . 1 1 68 68 VAL HG13 H 1 0.027 0.030 . 1 . . . . 68 VAL HG1 . 11263 1 822 . 1 1 68 68 VAL HG21 H 1 0.409 0.030 . 1 . . . . 68 VAL HG2 . 11263 1 823 . 1 1 68 68 VAL HG22 H 1 0.409 0.030 . 1 . . . . 68 VAL HG2 . 11263 1 824 . 1 1 68 68 VAL HG23 H 1 0.409 0.030 . 1 . . . . 68 VAL HG2 . 11263 1 825 . 1 1 68 68 VAL C C 13 175.293 0.300 . 1 . . . . 68 VAL C . 11263 1 826 . 1 1 68 68 VAL CA C 13 61.223 0.300 . 1 . . . . 68 VAL CA . 11263 1 827 . 1 1 68 68 VAL CB C 13 31.326 0.300 . 1 . . . . 68 VAL CB . 11263 1 828 . 1 1 68 68 VAL CG1 C 13 21.093 0.300 . 2 . . . . 68 VAL CG1 . 11263 1 829 . 1 1 68 68 VAL CG2 C 13 18.867 0.300 . 2 . . . . 68 VAL CG2 . 11263 1 830 . 1 1 68 68 VAL N N 15 107.313 0.300 . 1 . . . . 68 VAL N . 11263 1 831 . 1 1 69 69 GLY H H 1 8.436 0.030 . 1 . . . . 69 GLY H . 11263 1 832 . 1 1 69 69 GLY HA2 H 1 3.905 0.030 . 2 . . . . 69 GLY HA2 . 11263 1 833 . 1 1 69 69 GLY HA3 H 1 3.632 0.030 . 2 . . . . 69 GLY HA3 . 11263 1 834 . 1 1 69 69 GLY C C 13 176.386 0.300 . 1 . . . . 69 GLY C . 11263 1 835 . 1 1 69 69 GLY CA C 13 47.397 0.300 . 1 . . . . 69 GLY CA . 11263 1 836 . 1 1 69 69 GLY N N 15 109.213 0.300 . 1 . . . . 69 GLY N . 11263 1 837 . 1 1 70 70 GLY H H 1 9.966 0.030 . 1 . . . . 70 GLY H . 11263 1 838 . 1 1 70 70 GLY HA2 H 1 4.082 0.030 . 2 . . . . 70 GLY HA2 . 11263 1 839 . 1 1 70 70 GLY HA3 H 1 3.673 0.030 . 2 . . . . 70 GLY HA3 . 11263 1 840 . 1 1 70 70 GLY C C 13 173.955 0.300 . 1 . . . . 70 GLY C . 11263 1 841 . 1 1 70 70 GLY CA C 13 45.901 0.300 . 1 . . . . 70 GLY CA . 11263 1 842 . 1 1 70 70 GLY N N 15 116.026 0.300 . 1 . . . . 70 GLY N . 11263 1 843 . 1 1 71 71 LYS H H 1 8.306 0.030 . 1 . . . . 71 LYS H . 11263 1 844 . 1 1 71 71 LYS HA H 1 4.709 0.030 . 1 . . . . 71 LYS HA . 11263 1 845 . 1 1 71 71 LYS HB2 H 1 1.982 0.030 . 2 . . . . 71 LYS HB2 . 11263 1 846 . 1 1 71 71 LYS HB3 H 1 1.654 0.030 . 2 . . . . 71 LYS HB3 . 11263 1 847 . 1 1 71 71 LYS HD2 H 1 1.714 0.030 . 1 . . . . 71 LYS HD2 . 11263 1 848 . 1 1 71 71 LYS HD3 H 1 1.714 0.030 . 1 . . . . 71 LYS HD3 . 11263 1 849 . 1 1 71 71 LYS HE2 H 1 3.086 0.030 . 1 . . . . 71 LYS HE2 . 11263 1 850 . 1 1 71 71 LYS HE3 H 1 3.086 0.030 . 1 . . . . 71 LYS HE3 . 11263 1 851 . 1 1 71 71 LYS HG2 H 1 1.232 0.030 . 2 . . . . 71 LYS HG2 . 11263 1 852 . 1 1 71 71 LYS HG3 H 1 1.510 0.030 . 2 . . . . 71 LYS HG3 . 11263 1 853 . 1 1 71 71 LYS C C 13 173.578 0.300 . 1 . . . . 71 LYS C . 11263 1 854 . 1 1 71 71 LYS CA C 13 53.291 0.300 . 1 . . . . 71 LYS CA . 11263 1 855 . 1 1 71 71 LYS CB C 13 34.204 0.300 . 1 . . . . 71 LYS CB . 11263 1 856 . 1 1 71 71 LYS CD C 13 28.063 0.300 . 1 . . . . 71 LYS CD . 11263 1 857 . 1 1 71 71 LYS CE C 13 43.025 0.300 . 1 . . . . 71 LYS CE . 11263 1 858 . 1 1 71 71 LYS CG C 13 24.024 0.300 . 1 . . . . 71 LYS CG . 11263 1 859 . 1 1 71 71 LYS N N 15 120.373 0.300 . 1 . . . . 71 LYS N . 11263 1 860 . 1 1 72 72 VAL H H 1 7.849 0.030 . 1 . . . . 72 VAL H . 11263 1 861 . 1 1 72 72 VAL HA H 1 4.423 0.030 . 1 . . . . 72 VAL HA . 11263 1 862 . 1 1 72 72 VAL HB H 1 1.995 0.030 . 1 . . . . 72 VAL HB . 11263 1 863 . 1 1 72 72 VAL HG11 H 1 0.612 0.030 . 1 . . . . 72 VAL HG1 . 11263 1 864 . 1 1 72 72 VAL HG12 H 1 0.612 0.030 . 1 . . . . 72 VAL HG1 . 11263 1 865 . 1 1 72 72 VAL HG13 H 1 0.612 0.030 . 1 . . . . 72 VAL HG1 . 11263 1 866 . 1 1 72 72 VAL HG21 H 1 0.973 0.030 . 1 . . . . 72 VAL HG2 . 11263 1 867 . 1 1 72 72 VAL HG22 H 1 0.973 0.030 . 1 . . . . 72 VAL HG2 . 11263 1 868 . 1 1 72 72 VAL HG23 H 1 0.973 0.030 . 1 . . . . 72 VAL HG2 . 11263 1 869 . 1 1 72 72 VAL C C 13 175.997 0.300 . 1 . . . . 72 VAL C . 11263 1 870 . 1 1 72 72 VAL CA C 13 61.843 0.300 . 1 . . . . 72 VAL CA . 11263 1 871 . 1 1 72 72 VAL CB C 13 32.889 0.300 . 1 . . . . 72 VAL CB . 11263 1 872 . 1 1 72 72 VAL CG1 C 13 22.448 0.300 . 2 . . . . 72 VAL CG1 . 11263 1 873 . 1 1 72 72 VAL CG2 C 13 22.043 0.300 . 2 . . . . 72 VAL CG2 . 11263 1 874 . 1 1 72 72 VAL N N 15 117.171 0.300 . 1 . . . . 72 VAL N . 11263 1 875 . 1 1 73 73 ILE H H 1 9.203 0.030 . 1 . . . . 73 ILE H . 11263 1 876 . 1 1 73 73 ILE HA H 1 4.655 0.030 . 1 . . . . 73 ILE HA . 11263 1 877 . 1 1 73 73 ILE HB H 1 1.875 0.030 . 1 . . . . 73 ILE HB . 11263 1 878 . 1 1 73 73 ILE HD11 H 1 0.552 0.030 . 1 . . . . 73 ILE HD1 . 11263 1 879 . 1 1 73 73 ILE HD12 H 1 0.552 0.030 . 1 . . . . 73 ILE HD1 . 11263 1 880 . 1 1 73 73 ILE HD13 H 1 0.552 0.030 . 1 . . . . 73 ILE HD1 . 11263 1 881 . 1 1 73 73 ILE HG12 H 1 1.545 0.030 . 2 . . . . 73 ILE HG12 . 11263 1 882 . 1 1 73 73 ILE HG13 H 1 0.975 0.030 . 2 . . . . 73 ILE HG13 . 11263 1 883 . 1 1 73 73 ILE HG21 H 1 0.830 0.030 . 1 . . . . 73 ILE HG2 . 11263 1 884 . 1 1 73 73 ILE HG22 H 1 0.830 0.030 . 1 . . . . 73 ILE HG2 . 11263 1 885 . 1 1 73 73 ILE HG23 H 1 0.830 0.030 . 1 . . . . 73 ILE HG2 . 11263 1 886 . 1 1 73 73 ILE C C 13 174.810 0.300 . 1 . . . . 73 ILE C . 11263 1 887 . 1 1 73 73 ILE CA C 13 60.295 0.300 . 1 . . . . 73 ILE CA . 11263 1 888 . 1 1 73 73 ILE CB C 13 40.119 0.300 . 1 . . . . 73 ILE CB . 11263 1 889 . 1 1 73 73 ILE CD1 C 13 14.514 0.300 . 1 . . . . 73 ILE CD1 . 11263 1 890 . 1 1 73 73 ILE CG1 C 13 26.830 0.300 . 1 . . . . 73 ILE CG1 . 11263 1 891 . 1 1 73 73 ILE CG2 C 13 18.856 0.300 . 1 . . . . 73 ILE CG2 . 11263 1 892 . 1 1 73 73 ILE N N 15 125.980 0.300 . 1 . . . . 73 ILE N . 11263 1 893 . 1 1 74 74 HIS H H 1 9.191 0.030 . 1 . . . . 74 HIS H . 11263 1 894 . 1 1 74 74 HIS HA H 1 5.110 0.030 . 1 . . . . 74 HIS HA . 11263 1 895 . 1 1 74 74 HIS HB2 H 1 3.092 0.030 . 1 . . . . 74 HIS HB2 . 11263 1 896 . 1 1 74 74 HIS HB3 H 1 3.092 0.030 . 1 . . . . 74 HIS HB3 . 11263 1 897 . 1 1 74 74 HIS HD2 H 1 6.997 0.030 . 1 . . . . 74 HIS HD2 . 11263 1 898 . 1 1 74 74 HIS HE1 H 1 7.700 0.030 . 1 . . . . 74 HIS HE1 . 11263 1 899 . 1 1 74 74 HIS C C 13 174.064 0.300 . 1 . . . . 74 HIS C . 11263 1 900 . 1 1 74 74 HIS CA C 13 56.828 0.300 . 1 . . . . 74 HIS CA . 11263 1 901 . 1 1 74 74 HIS CB C 13 32.102 0.300 . 1 . . . . 74 HIS CB . 11263 1 902 . 1 1 74 74 HIS CD2 C 13 119.451 0.300 . 1 . . . . 74 HIS CD2 . 11263 1 903 . 1 1 74 74 HIS CE1 C 13 138.334 0.300 . 1 . . . . 74 HIS CE1 . 11263 1 904 . 1 1 74 74 HIS N N 15 124.919 0.300 . 1 . . . . 74 HIS N . 11263 1 905 . 1 1 75 75 LEU H H 1 8.283 0.030 . 1 . . . . 75 LEU H . 11263 1 906 . 1 1 75 75 LEU HA H 1 5.392 0.030 . 1 . . . . 75 LEU HA . 11263 1 907 . 1 1 75 75 LEU HB2 H 1 1.580 0.030 . 2 . . . . 75 LEU HB2 . 11263 1 908 . 1 1 75 75 LEU HB3 H 1 1.155 0.030 . 2 . . . . 75 LEU HB3 . 11263 1 909 . 1 1 75 75 LEU HD11 H 1 0.806 0.030 . 1 . . . . 75 LEU HD1 . 11263 1 910 . 1 1 75 75 LEU HD12 H 1 0.806 0.030 . 1 . . . . 75 LEU HD1 . 11263 1 911 . 1 1 75 75 LEU HD13 H 1 0.806 0.030 . 1 . . . . 75 LEU HD1 . 11263 1 912 . 1 1 75 75 LEU HD21 H 1 0.702 0.030 . 1 . . . . 75 LEU HD2 . 11263 1 913 . 1 1 75 75 LEU HD22 H 1 0.702 0.030 . 1 . . . . 75 LEU HD2 . 11263 1 914 . 1 1 75 75 LEU HD23 H 1 0.702 0.030 . 1 . . . . 75 LEU HD2 . 11263 1 915 . 1 1 75 75 LEU HG H 1 1.296 0.030 . 1 . . . . 75 LEU HG . 11263 1 916 . 1 1 75 75 LEU C C 13 175.584 0.300 . 1 . . . . 75 LEU C . 11263 1 917 . 1 1 75 75 LEU CA C 13 53.715 0.300 . 1 . . . . 75 LEU CA . 11263 1 918 . 1 1 75 75 LEU CB C 13 44.065 0.300 . 1 . . . . 75 LEU CB . 11263 1 919 . 1 1 75 75 LEU CD1 C 13 23.776 0.300 . 2 . . . . 75 LEU CD1 . 11263 1 920 . 1 1 75 75 LEU CD2 C 13 26.985 0.300 . 2 . . . . 75 LEU CD2 . 11263 1 921 . 1 1 75 75 LEU CG C 13 27.523 0.300 . 1 . . . . 75 LEU CG . 11263 1 922 . 1 1 75 75 LEU N N 15 124.298 0.300 . 1 . . . . 75 LEU N . 11263 1 923 . 1 1 76 76 VAL H H 1 9.090 0.030 . 1 . . . . 76 VAL H . 11263 1 924 . 1 1 76 76 VAL HA H 1 4.544 0.030 . 1 . . . . 76 VAL HA . 11263 1 925 . 1 1 76 76 VAL HB H 1 2.218 0.030 . 1 . . . . 76 VAL HB . 11263 1 926 . 1 1 76 76 VAL HG11 H 1 0.947 0.030 . 1 . . . . 76 VAL HG1 . 11263 1 927 . 1 1 76 76 VAL HG12 H 1 0.947 0.030 . 1 . . . . 76 VAL HG1 . 11263 1 928 . 1 1 76 76 VAL HG13 H 1 0.947 0.030 . 1 . . . . 76 VAL HG1 . 11263 1 929 . 1 1 76 76 VAL HG21 H 1 0.850 0.030 . 1 . . . . 76 VAL HG2 . 11263 1 930 . 1 1 76 76 VAL HG22 H 1 0.850 0.030 . 1 . . . . 76 VAL HG2 . 11263 1 931 . 1 1 76 76 VAL HG23 H 1 0.850 0.030 . 1 . . . . 76 VAL HG2 . 11263 1 932 . 1 1 76 76 VAL C C 13 173.505 0.300 . 1 . . . . 76 VAL C . 11263 1 933 . 1 1 76 76 VAL CA C 13 59.644 0.300 . 1 . . . . 76 VAL CA . 11263 1 934 . 1 1 76 76 VAL CB C 13 35.314 0.300 . 1 . . . . 76 VAL CB . 11263 1 935 . 1 1 76 76 VAL CG1 C 13 21.530 0.300 . 2 . . . . 76 VAL CG1 . 11263 1 936 . 1 1 76 76 VAL CG2 C 13 19.813 0.300 . 2 . . . . 76 VAL CG2 . 11263 1 937 . 1 1 76 76 VAL N N 15 124.410 0.300 . 1 . . . . 76 VAL N . 11263 1 938 . 1 1 77 77 GLU H H 1 8.437 0.030 . 1 . . . . 77 GLU H . 11263 1 939 . 1 1 77 77 GLU HA H 1 4.791 0.030 . 1 . . . . 77 GLU HA . 11263 1 940 . 1 1 77 77 GLU HB2 H 1 1.898 0.030 . 2 . . . . 77 GLU HB2 . 11263 1 941 . 1 1 77 77 GLU HB3 H 1 2.008 0.030 . 2 . . . . 77 GLU HB3 . 11263 1 942 . 1 1 77 77 GLU HG2 H 1 2.233 0.030 . 1 . . . . 77 GLU HG2 . 11263 1 943 . 1 1 77 77 GLU HG3 H 1 2.233 0.030 . 1 . . . . 77 GLU HG3 . 11263 1 944 . 1 1 77 77 GLU C C 13 176.861 0.300 . 1 . . . . 77 GLU C . 11263 1 945 . 1 1 77 77 GLU CA C 13 55.755 0.300 . 1 . . . . 77 GLU CA . 11263 1 946 . 1 1 77 77 GLU CB C 13 31.205 0.300 . 1 . . . . 77 GLU CB . 11263 1 947 . 1 1 77 77 GLU CG C 13 37.188 0.300 . 1 . . . . 77 GLU CG . 11263 1 948 . 1 1 77 77 GLU N N 15 122.376 0.300 . 1 . . . . 77 GLU N . 11263 1 949 . 1 1 78 78 ARG H H 1 8.893 0.030 . 1 . . . . 78 ARG H . 11263 1 950 . 1 1 78 78 ARG HA H 1 4.250 0.030 . 1 . . . . 78 ARG HA . 11263 1 951 . 1 1 78 78 ARG HB2 H 1 1.615 0.030 . 2 . . . . 78 ARG HB2 . 11263 1 952 . 1 1 78 78 ARG HB3 H 1 1.709 0.030 . 2 . . . . 78 ARG HB3 . 11263 1 953 . 1 1 78 78 ARG HD2 H 1 3.168 0.030 . 1 . . . . 78 ARG HD2 . 11263 1 954 . 1 1 78 78 ARG HD3 H 1 3.168 0.030 . 1 . . . . 78 ARG HD3 . 11263 1 955 . 1 1 78 78 ARG HG2 H 1 1.526 0.030 . 1 . . . . 78 ARG HG2 . 11263 1 956 . 1 1 78 78 ARG HG3 H 1 1.526 0.030 . 1 . . . . 78 ARG HG3 . 11263 1 957 . 1 1 78 78 ARG C C 13 174.822 0.300 . 1 . . . . 78 ARG C . 11263 1 958 . 1 1 78 78 ARG CA C 13 55.797 0.300 . 1 . . . . 78 ARG CA . 11263 1 959 . 1 1 78 78 ARG CB C 13 31.737 0.300 . 1 . . . . 78 ARG CB . 11263 1 960 . 1 1 78 78 ARG CD C 13 43.518 0.300 . 1 . . . . 78 ARG CD . 11263 1 961 . 1 1 78 78 ARG CG C 13 26.996 0.300 . 1 . . . . 78 ARG CG . 11263 1 962 . 1 1 78 78 ARG N N 15 125.679 0.300 . 1 . . . . 78 ARG N . 11263 1 963 . 1 1 79 79 ALA H H 1 8.459 0.030 . 1 . . . . 79 ALA H . 11263 1 964 . 1 1 79 79 ALA HA H 1 4.599 0.030 . 1 . . . . 79 ALA HA . 11263 1 965 . 1 1 79 79 ALA HB1 H 1 1.388 0.030 . 1 . . . . 79 ALA HB . 11263 1 966 . 1 1 79 79 ALA HB2 H 1 1.388 0.030 . 1 . . . . 79 ALA HB . 11263 1 967 . 1 1 79 79 ALA HB3 H 1 1.388 0.030 . 1 . . . . 79 ALA HB . 11263 1 968 . 1 1 79 79 ALA C C 13 175.718 0.300 . 1 . . . . 79 ALA C . 11263 1 969 . 1 1 79 79 ALA CA C 13 50.476 0.300 . 1 . . . . 79 ALA CA . 11263 1 970 . 1 1 79 79 ALA CB C 13 18.081 0.300 . 1 . . . . 79 ALA CB . 11263 1 971 . 1 1 79 79 ALA N N 15 127.744 0.300 . 1 . . . . 79 ALA N . 11263 1 972 . 1 1 80 80 PRO HA H 1 4.477 0.030 . 1 . . . . 80 PRO HA . 11263 1 973 . 1 1 80 80 PRO HB2 H 1 2.295 0.030 . 2 . . . . 80 PRO HB2 . 11263 1 974 . 1 1 80 80 PRO HB3 H 1 2.009 0.030 . 2 . . . . 80 PRO HB3 . 11263 1 975 . 1 1 80 80 PRO HD2 H 1 3.710 0.030 . 2 . . . . 80 PRO HD2 . 11263 1 976 . 1 1 80 80 PRO HD3 H 1 3.816 0.030 . 2 . . . . 80 PRO HD3 . 11263 1 977 . 1 1 80 80 PRO HG2 H 1 1.995 0.030 . 2 . . . . 80 PRO HG2 . 11263 1 978 . 1 1 80 80 PRO C C 13 176.938 0.300 . 1 . . . . 80 PRO C . 11263 1 979 . 1 1 80 80 PRO CA C 13 63.321 0.300 . 1 . . . . 80 PRO CA . 11263 1 980 . 1 1 80 80 PRO CB C 13 32.005 0.300 . 1 . . . . 80 PRO CB . 11263 1 981 . 1 1 80 80 PRO CD C 13 50.506 0.300 . 1 . . . . 80 PRO CD . 11263 1 982 . 1 1 80 80 PRO CG C 13 27.734 0.300 . 1 . . . . 80 PRO CG . 11263 1 983 . 1 1 81 81 SER H H 1 8.397 0.030 . 1 . . . . 81 SER H . 11263 1 984 . 1 1 81 81 SER HA H 1 4.518 0.030 . 1 . . . . 81 SER HA . 11263 1 985 . 1 1 81 81 SER HB2 H 1 3.877 0.030 . 1 . . . . 81 SER HB2 . 11263 1 986 . 1 1 81 81 SER HB3 H 1 3.877 0.030 . 1 . . . . 81 SER HB3 . 11263 1 987 . 1 1 81 81 SER C C 13 174.575 0.300 . 1 . . . . 81 SER C . 11263 1 988 . 1 1 81 81 SER CA C 13 58.254 0.300 . 1 . . . . 81 SER CA . 11263 1 989 . 1 1 81 81 SER CB C 13 64.095 0.300 . 1 . . . . 81 SER CB . 11263 1 990 . 1 1 81 81 SER N N 15 115.869 0.300 . 1 . . . . 81 SER N . 11263 1 991 . 1 1 82 82 GLY H H 1 8.261 0.030 . 1 . . . . 82 GLY H . 11263 1 992 . 1 1 82 82 GLY C C 13 171.889 0.300 . 1 . . . . 82 GLY C . 11263 1 993 . 1 1 82 82 GLY CA C 13 44.704 0.300 . 1 . . . . 82 GLY CA . 11263 1 994 . 1 1 82 82 GLY N N 15 110.567 0.300 . 1 . . . . 82 GLY N . 11263 1 995 . 1 1 83 83 PRO HD2 H 1 3.665 0.030 . 1 . . . . 83 PRO HD2 . 11263 1 996 . 1 1 83 83 PRO HD3 H 1 3.665 0.030 . 1 . . . . 83 PRO HD3 . 11263 1 997 . 1 1 83 83 PRO HG2 H 1 2.042 0.030 . 2 . . . . 83 PRO HG2 . 11263 1 998 . 1 1 83 83 PRO CD C 13 49.857 0.300 . 1 . . . . 83 PRO CD . 11263 1 stop_ save_