data_11261 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11261 _Entry.Title ; Solution Structure of the N-terminal Ubiquitin-like Domain in the Human Ubiquilin 3 (UBQLN3) ; _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 . . . 11261 2 K. Saito . . . 11261 3 S. Koshiba . . . 11261 4 M. Inoue . . . 11261 5 T. Kigawa . . . 11261 6 S. Yokoyama . . . 11261 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)' . 11261 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11261 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 434 11261 '15N chemical shifts' 97 11261 '1H chemical shifts' 681 11261 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 . 11261 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WX7 'BMRB Entry Tracking System' 11261 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11261 _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 Ubiquilin 3 (UBQLN3) ; _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 . . . 11261 1 2 K. Saito . . . 11261 1 3 S. Koshiba . . . 11261 1 4 M. Inoue . . . 11261 1 5 T. Kigawa . . . 11261 1 6 S. Yokoyama . . . 11261 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11261 _Assembly.ID 1 _Assembly.Name 'Ubiquilin 3' _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 fold' 1 $entity_1 A . yes native no no . . . 11261 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 1wx7 . . . . . . 11261 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11261 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquitin-like fold' _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 ; GSSGSSGSPAPVQDPHLIKV TVKTPKDKEDFSVTDTCTIQ QLKEEISQRFKAHPDQLVLI FAGKILKDPDSLAQCGVRDG LTVHLVIKRQHRAMGNECPA 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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 1WX7 . "Solution Structure Of The N-Terminal Ubiquitin-Like Domain In The Human Ubiquilin 3 (Ubqln3)" . . . . . 100.00 106 100.00 100.00 6.62e-70 . . . . 11261 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin-like fold' . 11261 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 . 11261 1 2 . SER . 11261 1 3 . SER . 11261 1 4 . GLY . 11261 1 5 . SER . 11261 1 6 . SER . 11261 1 7 . GLY . 11261 1 8 . SER . 11261 1 9 . PRO . 11261 1 10 . ALA . 11261 1 11 . PRO . 11261 1 12 . VAL . 11261 1 13 . GLN . 11261 1 14 . ASP . 11261 1 15 . PRO . 11261 1 16 . HIS . 11261 1 17 . LEU . 11261 1 18 . ILE . 11261 1 19 . LYS . 11261 1 20 . VAL . 11261 1 21 . THR . 11261 1 22 . VAL . 11261 1 23 . LYS . 11261 1 24 . THR . 11261 1 25 . PRO . 11261 1 26 . LYS . 11261 1 27 . ASP . 11261 1 28 . LYS . 11261 1 29 . GLU . 11261 1 30 . ASP . 11261 1 31 . PHE . 11261 1 32 . SER . 11261 1 33 . VAL . 11261 1 34 . THR . 11261 1 35 . ASP . 11261 1 36 . THR . 11261 1 37 . CYS . 11261 1 38 . THR . 11261 1 39 . ILE . 11261 1 40 . GLN . 11261 1 41 . GLN . 11261 1 42 . LEU . 11261 1 43 . LYS . 11261 1 44 . GLU . 11261 1 45 . GLU . 11261 1 46 . ILE . 11261 1 47 . SER . 11261 1 48 . GLN . 11261 1 49 . ARG . 11261 1 50 . PHE . 11261 1 51 . LYS . 11261 1 52 . ALA . 11261 1 53 . HIS . 11261 1 54 . PRO . 11261 1 55 . ASP . 11261 1 56 . GLN . 11261 1 57 . LEU . 11261 1 58 . VAL . 11261 1 59 . LEU . 11261 1 60 . ILE . 11261 1 61 . PHE . 11261 1 62 . ALA . 11261 1 63 . GLY . 11261 1 64 . LYS . 11261 1 65 . ILE . 11261 1 66 . LEU . 11261 1 67 . LYS . 11261 1 68 . ASP . 11261 1 69 . PRO . 11261 1 70 . ASP . 11261 1 71 . SER . 11261 1 72 . LEU . 11261 1 73 . ALA . 11261 1 74 . GLN . 11261 1 75 . CYS . 11261 1 76 . GLY . 11261 1 77 . VAL . 11261 1 78 . ARG . 11261 1 79 . ASP . 11261 1 80 . GLY . 11261 1 81 . LEU . 11261 1 82 . THR . 11261 1 83 . VAL . 11261 1 84 . HIS . 11261 1 85 . LEU . 11261 1 86 . VAL . 11261 1 87 . ILE . 11261 1 88 . LYS . 11261 1 89 . ARG . 11261 1 90 . GLN . 11261 1 91 . HIS . 11261 1 92 . ARG . 11261 1 93 . ALA . 11261 1 94 . MET . 11261 1 95 . GLY . 11261 1 96 . ASN . 11261 1 97 . GLU . 11261 1 98 . CYS . 11261 1 99 . PRO . 11261 1 100 . ALA . 11261 1 101 . SER . 11261 1 102 . GLY . 11261 1 103 . PRO . 11261 1 104 . SER . 11261 1 105 . SER . 11261 1 106 . GLY . 11261 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 11261 1 . SER 2 2 11261 1 . SER 3 3 11261 1 . GLY 4 4 11261 1 . SER 5 5 11261 1 . SER 6 6 11261 1 . GLY 7 7 11261 1 . SER 8 8 11261 1 . PRO 9 9 11261 1 . ALA 10 10 11261 1 . PRO 11 11 11261 1 . VAL 12 12 11261 1 . GLN 13 13 11261 1 . ASP 14 14 11261 1 . PRO 15 15 11261 1 . HIS 16 16 11261 1 . LEU 17 17 11261 1 . ILE 18 18 11261 1 . LYS 19 19 11261 1 . VAL 20 20 11261 1 . THR 21 21 11261 1 . VAL 22 22 11261 1 . LYS 23 23 11261 1 . THR 24 24 11261 1 . PRO 25 25 11261 1 . LYS 26 26 11261 1 . ASP 27 27 11261 1 . LYS 28 28 11261 1 . GLU 29 29 11261 1 . ASP 30 30 11261 1 . PHE 31 31 11261 1 . SER 32 32 11261 1 . VAL 33 33 11261 1 . THR 34 34 11261 1 . ASP 35 35 11261 1 . THR 36 36 11261 1 . CYS 37 37 11261 1 . THR 38 38 11261 1 . ILE 39 39 11261 1 . GLN 40 40 11261 1 . GLN 41 41 11261 1 . LEU 42 42 11261 1 . LYS 43 43 11261 1 . GLU 44 44 11261 1 . GLU 45 45 11261 1 . ILE 46 46 11261 1 . SER 47 47 11261 1 . GLN 48 48 11261 1 . ARG 49 49 11261 1 . PHE 50 50 11261 1 . LYS 51 51 11261 1 . ALA 52 52 11261 1 . HIS 53 53 11261 1 . PRO 54 54 11261 1 . ASP 55 55 11261 1 . GLN 56 56 11261 1 . LEU 57 57 11261 1 . VAL 58 58 11261 1 . LEU 59 59 11261 1 . ILE 60 60 11261 1 . PHE 61 61 11261 1 . ALA 62 62 11261 1 . GLY 63 63 11261 1 . LYS 64 64 11261 1 . ILE 65 65 11261 1 . LEU 66 66 11261 1 . LYS 67 67 11261 1 . ASP 68 68 11261 1 . PRO 69 69 11261 1 . ASP 70 70 11261 1 . SER 71 71 11261 1 . LEU 72 72 11261 1 . ALA 73 73 11261 1 . GLN 74 74 11261 1 . CYS 75 75 11261 1 . GLY 76 76 11261 1 . VAL 77 77 11261 1 . ARG 78 78 11261 1 . ASP 79 79 11261 1 . GLY 80 80 11261 1 . LEU 81 81 11261 1 . THR 82 82 11261 1 . VAL 83 83 11261 1 . HIS 84 84 11261 1 . LEU 85 85 11261 1 . VAL 86 86 11261 1 . ILE 87 87 11261 1 . LYS 88 88 11261 1 . ARG 89 89 11261 1 . GLN 90 90 11261 1 . HIS 91 91 11261 1 . ARG 92 92 11261 1 . ALA 93 93 11261 1 . MET 94 94 11261 1 . GLY 95 95 11261 1 . ASN 96 96 11261 1 . GLU 97 97 11261 1 . CYS 98 98 11261 1 . PRO 99 99 11261 1 . ALA 100 100 11261 1 . SER 101 101 11261 1 . GLY 102 102 11261 1 . PRO 103 103 11261 1 . SER 104 104 11261 1 . SER 105 105 11261 1 . GLY 106 106 11261 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 11261 _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 . . . . . . . . . . . . . . . . . . . . . 11261 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 11261 _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 . . P040517-10 . . . . . . 11261 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11261 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2.0mM protein U-15N, 13C/20mM d-Tris-HCl (pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ubiquitin-like fold' '[U-13C; U-15N]' . . 1 $entity_1 . protein 2.0 . . mM . . . . 11261 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11261 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11261 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11261 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11261 1 6 H2O . . . . . . solvent 90 . . % . . . . 11261 1 7 D2O . . . . . . solvent 10 . . % . . . . 11261 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 11261 _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 11261 1 pH 7.0 0.05 pH 11261 1 pressure 1 0.001 atm 11261 1 temperature 298.0 0.1 K 11261 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11261 _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 . . 11261 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11261 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11261 _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.' . . 11261 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11261 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11261 _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.' . . 11261 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11261 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11261 _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.' . . 11261 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11261 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11261 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11261 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11261 5 'structure solution' 11261 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 11261 _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 11261 _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 . . . 11261 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 11261 _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 . . . . . . . . . . . . . . . . 11261 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11261 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 11261 _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 . . . . . . . . . 11261 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11261 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11261 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 11261 _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 11261 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11261 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 . . 11261 1 2 $NMRPipe . . 11261 1 3 $NMRview . . 11261 1 4 $Kujira . . 11261 1 5 $CYANA . . 11261 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 9 9 PRO HA H 1 4.439 0.030 . 1 . . . . 9 PRO HA . 11261 1 2 . 1 1 9 9 PRO HB2 H 1 2.280 0.030 . 2 . . . . 9 PRO HB2 . 11261 1 3 . 1 1 9 9 PRO HB3 H 1 1.914 0.030 . 2 . . . . 9 PRO HB3 . 11261 1 4 . 1 1 9 9 PRO HD2 H 1 3.705 0.030 . 2 . . . . 9 PRO HD2 . 11261 1 5 . 1 1 9 9 PRO HD3 H 1 3.778 0.030 . 2 . . . . 9 PRO HD3 . 11261 1 6 . 1 1 9 9 PRO HG2 H 1 2.008 0.030 . 2 . . . . 9 PRO HG2 . 11261 1 7 . 1 1 9 9 PRO HG3 H 1 2.048 0.030 . 2 . . . . 9 PRO HG3 . 11261 1 8 . 1 1 9 9 PRO C C 13 176.296 0.300 . 1 . . . . 9 PRO C . 11261 1 9 . 1 1 9 9 PRO CA C 13 62.901 0.300 . 1 . . . . 9 PRO CA . 11261 1 10 . 1 1 9 9 PRO CB C 13 32.121 0.300 . 1 . . . . 9 PRO CB . 11261 1 11 . 1 1 9 9 PRO CD C 13 50.717 0.300 . 1 . . . . 9 PRO CD . 11261 1 12 . 1 1 9 9 PRO CG C 13 27.358 0.300 . 1 . . . . 9 PRO CG . 11261 1 13 . 1 1 10 10 ALA H H 1 8.357 0.030 . 1 . . . . 10 ALA H . 11261 1 14 . 1 1 10 10 ALA HA H 1 4.562 0.030 . 1 . . . . 10 ALA HA . 11261 1 15 . 1 1 10 10 ALA HB1 H 1 1.359 0.030 . 1 . . . . 10 ALA HB . 11261 1 16 . 1 1 10 10 ALA HB2 H 1 1.359 0.030 . 1 . . . . 10 ALA HB . 11261 1 17 . 1 1 10 10 ALA HB3 H 1 1.359 0.030 . 1 . . . . 10 ALA HB . 11261 1 18 . 1 1 10 10 ALA C C 13 175.599 0.300 . 1 . . . . 10 ALA C . 11261 1 19 . 1 1 10 10 ALA CA C 13 50.462 0.300 . 1 . . . . 10 ALA CA . 11261 1 20 . 1 1 10 10 ALA CB C 13 18.081 0.300 . 1 . . . . 10 ALA CB . 11261 1 21 . 1 1 10 10 ALA N N 15 125.967 0.300 . 1 . . . . 10 ALA N . 11261 1 22 . 1 1 11 11 PRO HA H 1 4.449 0.030 . 1 . . . . 11 PRO HA . 11261 1 23 . 1 1 11 11 PRO HB2 H 1 1.877 0.030 . 2 . . . . 11 PRO HB2 . 11261 1 24 . 1 1 11 11 PRO HB3 H 1 2.280 0.030 . 2 . . . . 11 PRO HB3 . 11261 1 25 . 1 1 11 11 PRO HD2 H 1 3.644 0.030 . 2 . . . . 11 PRO HD2 . 11261 1 26 . 1 1 11 11 PRO HD3 H 1 3.790 0.030 . 2 . . . . 11 PRO HD3 . 11261 1 27 . 1 1 11 11 PRO HG2 H 1 2.054 0.030 . 2 . . . . 11 PRO HG2 . 11261 1 28 . 1 1 11 11 PRO HG3 H 1 1.978 0.030 . 2 . . . . 11 PRO HG3 . 11261 1 29 . 1 1 11 11 PRO C C 13 176.870 0.300 . 1 . . . . 11 PRO C . 11261 1 30 . 1 1 11 11 PRO CA C 13 63.015 0.300 . 1 . . . . 11 PRO CA . 11261 1 31 . 1 1 11 11 PRO CB C 13 32.037 0.300 . 1 . . . . 11 PRO CB . 11261 1 32 . 1 1 11 11 PRO CD C 13 50.471 0.300 . 1 . . . . 11 PRO CD . 11261 1 33 . 1 1 11 11 PRO CG C 13 27.358 0.300 . 1 . . . . 11 PRO CG . 11261 1 34 . 1 1 12 12 VAL H H 1 8.219 0.030 . 1 . . . . 12 VAL H . 11261 1 35 . 1 1 12 12 VAL HA H 1 4.059 0.030 . 1 . . . . 12 VAL HA . 11261 1 36 . 1 1 12 12 VAL HB H 1 2.024 0.030 . 1 . . . . 12 VAL HB . 11261 1 37 . 1 1 12 12 VAL HG11 H 1 0.962 0.030 . 1 . . . . 12 VAL HG1 . 11261 1 38 . 1 1 12 12 VAL HG12 H 1 0.962 0.030 . 1 . . . . 12 VAL HG1 . 11261 1 39 . 1 1 12 12 VAL HG13 H 1 0.962 0.030 . 1 . . . . 12 VAL HG1 . 11261 1 40 . 1 1 12 12 VAL HG21 H 1 0.933 0.030 . 1 . . . . 12 VAL HG2 . 11261 1 41 . 1 1 12 12 VAL HG22 H 1 0.933 0.030 . 1 . . . . 12 VAL HG2 . 11261 1 42 . 1 1 12 12 VAL HG23 H 1 0.933 0.030 . 1 . . . . 12 VAL HG2 . 11261 1 43 . 1 1 12 12 VAL C C 13 176.122 0.300 . 1 . . . . 12 VAL C . 11261 1 44 . 1 1 12 12 VAL CA C 13 62.282 0.300 . 1 . . . . 12 VAL CA . 11261 1 45 . 1 1 12 12 VAL CB C 13 32.773 0.300 . 1 . . . . 12 VAL CB . 11261 1 46 . 1 1 12 12 VAL CG1 C 13 20.632 0.300 . 2 . . . . 12 VAL CG1 . 11261 1 47 . 1 1 12 12 VAL CG2 C 13 21.205 0.300 . 2 . . . . 12 VAL CG2 . 11261 1 48 . 1 1 12 12 VAL N N 15 120.745 0.300 . 1 . . . . 12 VAL N . 11261 1 49 . 1 1 13 13 GLN H H 1 8.434 0.030 . 1 . . . . 13 GLN H . 11261 1 50 . 1 1 13 13 GLN HA H 1 4.334 0.030 . 1 . . . . 13 GLN HA . 11261 1 51 . 1 1 13 13 GLN HB2 H 1 1.931 0.030 . 2 . . . . 13 GLN HB2 . 11261 1 52 . 1 1 13 13 GLN HB3 H 1 2.011 0.030 . 2 . . . . 13 GLN HB3 . 11261 1 53 . 1 1 13 13 GLN HE21 H 1 6.834 0.030 . 2 . . . . 13 GLN HE21 . 11261 1 54 . 1 1 13 13 GLN HE22 H 1 7.541 0.030 . 2 . . . . 13 GLN HE22 . 11261 1 55 . 1 1 13 13 GLN HG2 H 1 2.267 0.030 . 2 . . . . 13 GLN HG2 . 11261 1 56 . 1 1 13 13 GLN HG3 H 1 2.333 0.030 . 2 . . . . 13 GLN HG3 . 11261 1 57 . 1 1 13 13 GLN C C 13 175.098 0.300 . 1 . . . . 13 GLN C . 11261 1 58 . 1 1 13 13 GLN CA C 13 55.400 0.300 . 1 . . . . 13 GLN CA . 11261 1 59 . 1 1 13 13 GLN CB C 13 29.758 0.300 . 1 . . . . 13 GLN CB . 11261 1 60 . 1 1 13 13 GLN CG C 13 33.692 0.300 . 1 . . . . 13 GLN CG . 11261 1 61 . 1 1 13 13 GLN N N 15 124.473 0.300 . 1 . . . . 13 GLN N . 11261 1 62 . 1 1 13 13 GLN NE2 N 15 112.151 0.300 . 1 . . . . 13 GLN NE2 . 11261 1 63 . 1 1 14 14 ASP H H 1 8.412 0.030 . 1 . . . . 14 ASP H . 11261 1 64 . 1 1 14 14 ASP HA H 1 4.803 0.030 . 1 . . . . 14 ASP HA . 11261 1 65 . 1 1 14 14 ASP HB2 H 1 2.501 0.030 . 2 . . . . 14 ASP HB2 . 11261 1 66 . 1 1 14 14 ASP HB3 H 1 2.724 0.030 . 2 . . . . 14 ASP HB3 . 11261 1 67 . 1 1 14 14 ASP C C 13 174.701 0.300 . 1 . . . . 14 ASP C . 11261 1 68 . 1 1 14 14 ASP CA C 13 52.275 0.300 . 1 . . . . 14 ASP CA . 11261 1 69 . 1 1 14 14 ASP CB C 13 41.180 0.300 . 1 . . . . 14 ASP CB . 11261 1 70 . 1 1 14 14 ASP N N 15 123.932 0.300 . 1 . . . . 14 ASP N . 11261 1 71 . 1 1 15 15 PRO HA H 1 4.425 0.030 . 1 . . . . 15 PRO HA . 11261 1 72 . 1 1 15 15 PRO HB2 H 1 2.267 0.030 . 2 . . . . 15 PRO HB2 . 11261 1 73 . 1 1 15 15 PRO HB3 H 1 1.731 0.030 . 2 . . . . 15 PRO HB3 . 11261 1 74 . 1 1 15 15 PRO HD2 H 1 3.759 0.030 . 2 . . . . 15 PRO HD2 . 11261 1 75 . 1 1 15 15 PRO HD3 H 1 3.805 0.030 . 2 . . . . 15 PRO HD3 . 11261 1 76 . 1 1 15 15 PRO HG2 H 1 1.856 0.030 . 2 . . . . 15 PRO HG2 . 11261 1 77 . 1 1 15 15 PRO HG3 H 1 1.991 0.030 . 2 . . . . 15 PRO HG3 . 11261 1 78 . 1 1 15 15 PRO C C 13 176.695 0.300 . 1 . . . . 15 PRO C . 11261 1 79 . 1 1 15 15 PRO CA C 13 63.339 0.300 . 1 . . . . 15 PRO CA . 11261 1 80 . 1 1 15 15 PRO CB C 13 32.350 0.300 . 1 . . . . 15 PRO CB . 11261 1 81 . 1 1 15 15 PRO CD C 13 50.635 0.300 . 1 . . . . 15 PRO CD . 11261 1 82 . 1 1 15 15 PRO CG C 13 27.029 0.300 . 1 . . . . 15 PRO CG . 11261 1 83 . 1 1 16 16 HIS H H 1 8.709 0.030 . 1 . . . . 16 HIS H . 11261 1 84 . 1 1 16 16 HIS HA H 1 4.631 0.030 . 1 . . . . 16 HIS HA . 11261 1 85 . 1 1 16 16 HIS HB2 H 1 3.119 0.030 . 2 . . . . 16 HIS HB2 . 11261 1 86 . 1 1 16 16 HIS HB3 H 1 3.362 0.030 . 2 . . . . 16 HIS HB3 . 11261 1 87 . 1 1 16 16 HIS HD2 H 1 7.254 0.030 . 1 . . . . 16 HIS HD2 . 11261 1 88 . 1 1 16 16 HIS HE1 H 1 8.341 0.030 . 1 . . . . 16 HIS HE1 . 11261 1 89 . 1 1 16 16 HIS C C 13 173.680 0.300 . 1 . . . . 16 HIS C . 11261 1 90 . 1 1 16 16 HIS CA C 13 55.599 0.300 . 1 . . . . 16 HIS CA . 11261 1 91 . 1 1 16 16 HIS CB C 13 29.297 0.300 . 1 . . . . 16 HIS CB . 11261 1 92 . 1 1 16 16 HIS CD2 C 13 120.446 0.300 . 1 . . . . 16 HIS CD2 . 11261 1 93 . 1 1 16 16 HIS CE1 C 13 136.739 0.300 . 1 . . . . 16 HIS CE1 . 11261 1 94 . 1 1 16 16 HIS N N 15 118.247 0.300 . 1 . . . . 16 HIS N . 11261 1 95 . 1 1 17 17 LEU H H 1 7.895 0.030 . 1 . . . . 17 LEU H . 11261 1 96 . 1 1 17 17 LEU HA H 1 4.522 0.030 . 1 . . . . 17 LEU HA . 11261 1 97 . 1 1 17 17 LEU HB2 H 1 1.517 0.030 . 1 . . . . 17 LEU HB2 . 11261 1 98 . 1 1 17 17 LEU HB3 H 1 1.517 0.030 . 1 . . . . 17 LEU HB3 . 11261 1 99 . 1 1 17 17 LEU HD11 H 1 0.805 0.030 . 1 . . . . 17 LEU HD1 . 11261 1 100 . 1 1 17 17 LEU HD12 H 1 0.805 0.030 . 1 . . . . 17 LEU HD1 . 11261 1 101 . 1 1 17 17 LEU HD13 H 1 0.805 0.030 . 1 . . . . 17 LEU HD1 . 11261 1 102 . 1 1 17 17 LEU HD21 H 1 0.741 0.030 . 1 . . . . 17 LEU HD2 . 11261 1 103 . 1 1 17 17 LEU HD22 H 1 0.741 0.030 . 1 . . . . 17 LEU HD2 . 11261 1 104 . 1 1 17 17 LEU HD23 H 1 0.741 0.030 . 1 . . . . 17 LEU HD2 . 11261 1 105 . 1 1 17 17 LEU HG H 1 1.477 0.030 . 1 . . . . 17 LEU HG . 11261 1 106 . 1 1 17 17 LEU C C 13 176.583 0.300 . 1 . . . . 17 LEU C . 11261 1 107 . 1 1 17 17 LEU CA C 13 54.984 0.300 . 1 . . . . 17 LEU CA . 11261 1 108 . 1 1 17 17 LEU CB C 13 42.816 0.300 . 1 . . . . 17 LEU CB . 11261 1 109 . 1 1 17 17 LEU CD1 C 13 24.655 0.300 . 2 . . . . 17 LEU CD1 . 11261 1 110 . 1 1 17 17 LEU CD2 C 13 24.068 0.300 . 2 . . . . 17 LEU CD2 . 11261 1 111 . 1 1 17 17 LEU CG C 13 26.881 0.300 . 1 . . . . 17 LEU CG . 11261 1 112 . 1 1 17 17 LEU N N 15 123.185 0.300 . 1 . . . . 17 LEU N . 11261 1 113 . 1 1 18 18 ILE H H 1 9.237 0.030 . 1 . . . . 18 ILE H . 11261 1 114 . 1 1 18 18 ILE HA H 1 4.561 0.030 . 1 . . . . 18 ILE HA . 11261 1 115 . 1 1 18 18 ILE HB H 1 1.583 0.030 . 1 . . . . 18 ILE HB . 11261 1 116 . 1 1 18 18 ILE HD11 H 1 0.539 0.030 . 1 . . . . 18 ILE HD1 . 11261 1 117 . 1 1 18 18 ILE HD12 H 1 0.539 0.030 . 1 . . . . 18 ILE HD1 . 11261 1 118 . 1 1 18 18 ILE HD13 H 1 0.539 0.030 . 1 . . . . 18 ILE HD1 . 11261 1 119 . 1 1 18 18 ILE HG12 H 1 1.297 0.030 . 2 . . . . 18 ILE HG12 . 11261 1 120 . 1 1 18 18 ILE HG13 H 1 0.907 0.030 . 2 . . . . 18 ILE HG13 . 11261 1 121 . 1 1 18 18 ILE HG21 H 1 0.907 0.030 . 1 . . . . 18 ILE HG2 . 11261 1 122 . 1 1 18 18 ILE HG22 H 1 0.907 0.030 . 1 . . . . 18 ILE HG2 . 11261 1 123 . 1 1 18 18 ILE HG23 H 1 0.907 0.030 . 1 . . . . 18 ILE HG2 . 11261 1 124 . 1 1 18 18 ILE C C 13 173.106 0.300 . 1 . . . . 18 ILE C . 11261 1 125 . 1 1 18 18 ILE CA C 13 59.789 0.300 . 1 . . . . 18 ILE CA . 11261 1 126 . 1 1 18 18 ILE CB C 13 42.437 0.300 . 1 . . . . 18 ILE CB . 11261 1 127 . 1 1 18 18 ILE CD1 C 13 14.171 0.300 . 1 . . . . 18 ILE CD1 . 11261 1 128 . 1 1 18 18 ILE CG1 C 13 25.751 0.300 . 1 . . . . 18 ILE CG1 . 11261 1 129 . 1 1 18 18 ILE CG2 C 13 18.887 0.300 . 1 . . . . 18 ILE CG2 . 11261 1 130 . 1 1 18 18 ILE N N 15 120.621 0.300 . 1 . . . . 18 ILE N . 11261 1 131 . 1 1 19 19 LYS H H 1 8.993 0.030 . 1 . . . . 19 LYS H . 11261 1 132 . 1 1 19 19 LYS HA H 1 5.267 0.030 . 1 . . . . 19 LYS HA . 11261 1 133 . 1 1 19 19 LYS HB2 H 1 1.613 0.030 . 2 . . . . 19 LYS HB2 . 11261 1 134 . 1 1 19 19 LYS HB3 H 1 1.814 0.030 . 2 . . . . 19 LYS HB3 . 11261 1 135 . 1 1 19 19 LYS HD2 H 1 1.617 0.030 . 1 . . . . 19 LYS HD2 . 11261 1 136 . 1 1 19 19 LYS HD3 H 1 1.617 0.030 . 1 . . . . 19 LYS HD3 . 11261 1 137 . 1 1 19 19 LYS HE2 H 1 2.897 0.030 . 1 . . . . 19 LYS HE2 . 11261 1 138 . 1 1 19 19 LYS HE3 H 1 2.897 0.030 . 1 . . . . 19 LYS HE3 . 11261 1 139 . 1 1 19 19 LYS HG2 H 1 1.198 0.030 . 2 . . . . 19 LYS HG2 . 11261 1 140 . 1 1 19 19 LYS HG3 H 1 1.329 0.030 . 2 . . . . 19 LYS HG3 . 11261 1 141 . 1 1 19 19 LYS C C 13 176.172 0.300 . 1 . . . . 19 LYS C . 11261 1 142 . 1 1 19 19 LYS CA C 13 54.948 0.300 . 1 . . . . 19 LYS CA . 11261 1 143 . 1 1 19 19 LYS CB C 13 33.469 0.300 . 1 . . . . 19 LYS CB . 11261 1 144 . 1 1 19 19 LYS CD C 13 29.086 0.300 . 1 . . . . 19 LYS CD . 11261 1 145 . 1 1 19 19 LYS CE C 13 41.670 0.300 . 1 . . . . 19 LYS CE . 11261 1 146 . 1 1 19 19 LYS CG C 13 24.533 0.300 . 1 . . . . 19 LYS CG . 11261 1 147 . 1 1 19 19 LYS N N 15 123.260 0.300 . 1 . . . . 19 LYS N . 11261 1 148 . 1 1 20 20 VAL H H 1 9.119 0.030 . 1 . . . . 20 VAL H . 11261 1 149 . 1 1 20 20 VAL HA H 1 4.681 0.030 . 1 . . . . 20 VAL HA . 11261 1 150 . 1 1 20 20 VAL HB H 1 1.844 0.030 . 1 . . . . 20 VAL HB . 11261 1 151 . 1 1 20 20 VAL HG11 H 1 0.744 0.030 . 1 . . . . 20 VAL HG1 . 11261 1 152 . 1 1 20 20 VAL HG12 H 1 0.744 0.030 . 1 . . . . 20 VAL HG1 . 11261 1 153 . 1 1 20 20 VAL HG13 H 1 0.744 0.030 . 1 . . . . 20 VAL HG1 . 11261 1 154 . 1 1 20 20 VAL HG21 H 1 0.761 0.030 . 1 . . . . 20 VAL HG2 . 11261 1 155 . 1 1 20 20 VAL HG22 H 1 0.761 0.030 . 1 . . . . 20 VAL HG2 . 11261 1 156 . 1 1 20 20 VAL HG23 H 1 0.761 0.030 . 1 . . . . 20 VAL HG2 . 11261 1 157 . 1 1 20 20 VAL C C 13 174.988 0.300 . 1 . . . . 20 VAL C . 11261 1 158 . 1 1 20 20 VAL CA C 13 59.953 0.300 . 1 . . . . 20 VAL CA . 11261 1 159 . 1 1 20 20 VAL CB C 13 35.362 0.300 . 1 . . . . 20 VAL CB . 11261 1 160 . 1 1 20 20 VAL CG1 C 13 21.210 0.300 . 2 . . . . 20 VAL CG1 . 11261 1 161 . 1 1 20 20 VAL CG2 C 13 21.437 0.300 . 2 . . . . 20 VAL CG2 . 11261 1 162 . 1 1 20 20 VAL N N 15 125.116 0.300 . 1 . . . . 20 VAL N . 11261 1 163 . 1 1 21 21 THR H H 1 8.531 0.030 . 1 . . . . 21 THR H . 11261 1 164 . 1 1 21 21 THR HA H 1 5.209 0.030 . 1 . . . . 21 THR HA . 11261 1 165 . 1 1 21 21 THR HB H 1 4.010 0.030 . 1 . . . . 21 THR HB . 11261 1 166 . 1 1 21 21 THR HG21 H 1 1.182 0.030 . 1 . . . . 21 THR HG2 . 11261 1 167 . 1 1 21 21 THR HG22 H 1 1.182 0.030 . 1 . . . . 21 THR HG2 . 11261 1 168 . 1 1 21 21 THR HG23 H 1 1.182 0.030 . 1 . . . . 21 THR HG2 . 11261 1 169 . 1 1 21 21 THR C C 13 173.007 0.300 . 1 . . . . 21 THR C . 11261 1 170 . 1 1 21 21 THR CA C 13 62.301 0.300 . 1 . . . . 21 THR CA . 11261 1 171 . 1 1 21 21 THR CB C 13 70.221 0.300 . 1 . . . . 21 THR CB . 11261 1 172 . 1 1 21 21 THR CG2 C 13 22.506 0.300 . 1 . . . . 21 THR CG2 . 11261 1 173 . 1 1 21 21 THR N N 15 124.910 0.300 . 1 . . . . 21 THR N . 11261 1 174 . 1 1 22 22 VAL H H 1 9.687 0.030 . 1 . . . . 22 VAL H . 11261 1 175 . 1 1 22 22 VAL HA H 1 5.021 0.030 . 1 . . . . 22 VAL HA . 11261 1 176 . 1 1 22 22 VAL HB H 1 2.362 0.030 . 1 . . . . 22 VAL HB . 11261 1 177 . 1 1 22 22 VAL HG11 H 1 0.699 0.030 . 1 . . . . 22 VAL HG1 . 11261 1 178 . 1 1 22 22 VAL HG12 H 1 0.699 0.030 . 1 . . . . 22 VAL HG1 . 11261 1 179 . 1 1 22 22 VAL HG13 H 1 0.699 0.030 . 1 . . . . 22 VAL HG1 . 11261 1 180 . 1 1 22 22 VAL HG21 H 1 0.841 0.030 . 1 . . . . 22 VAL HG2 . 11261 1 181 . 1 1 22 22 VAL HG22 H 1 0.841 0.030 . 1 . . . . 22 VAL HG2 . 11261 1 182 . 1 1 22 22 VAL HG23 H 1 0.841 0.030 . 1 . . . . 22 VAL HG2 . 11261 1 183 . 1 1 22 22 VAL C C 13 174.477 0.300 . 1 . . . . 22 VAL C . 11261 1 184 . 1 1 22 22 VAL CA C 13 61.019 0.300 . 1 . . . . 22 VAL CA . 11261 1 185 . 1 1 22 22 VAL CB C 13 33.197 0.300 . 1 . . . . 22 VAL CB . 11261 1 186 . 1 1 22 22 VAL CG1 C 13 23.534 0.300 . 2 . . . . 22 VAL CG1 . 11261 1 187 . 1 1 22 22 VAL CG2 C 13 21.437 0.300 . 2 . . . . 22 VAL CG2 . 11261 1 188 . 1 1 22 22 VAL N N 15 128.571 0.300 . 1 . . . . 22 VAL N . 11261 1 189 . 1 1 23 23 LYS H H 1 8.540 0.030 . 1 . . . . 23 LYS H . 11261 1 190 . 1 1 23 23 LYS HA H 1 5.324 0.030 . 1 . . . . 23 LYS HA . 11261 1 191 . 1 1 23 23 LYS HB2 H 1 1.685 0.030 . 2 . . . . 23 LYS HB2 . 11261 1 192 . 1 1 23 23 LYS HB3 H 1 1.469 0.030 . 2 . . . . 23 LYS HB3 . 11261 1 193 . 1 1 23 23 LYS HD2 H 1 1.730 0.030 . 2 . . . . 23 LYS HD2 . 11261 1 194 . 1 1 23 23 LYS HD3 H 1 1.618 0.030 . 2 . . . . 23 LYS HD3 . 11261 1 195 . 1 1 23 23 LYS HE2 H 1 3.010 0.030 . 1 . . . . 23 LYS HE2 . 11261 1 196 . 1 1 23 23 LYS HE3 H 1 3.010 0.030 . 1 . . . . 23 LYS HE3 . 11261 1 197 . 1 1 23 23 LYS HG2 H 1 1.460 0.030 . 1 . . . . 23 LYS HG2 . 11261 1 198 . 1 1 23 23 LYS HG3 H 1 1.460 0.030 . 1 . . . . 23 LYS HG3 . 11261 1 199 . 1 1 23 23 LYS C C 13 175.798 0.300 . 1 . . . . 23 LYS C . 11261 1 200 . 1 1 23 23 LYS CA C 13 55.002 0.300 . 1 . . . . 23 LYS CA . 11261 1 201 . 1 1 23 23 LYS CB C 13 37.579 0.300 . 1 . . . . 23 LYS CB . 11261 1 202 . 1 1 23 23 LYS CD C 13 29.837 0.300 . 1 . . . . 23 LYS CD . 11261 1 203 . 1 1 23 23 LYS CE C 13 42.328 0.300 . 1 . . . . 23 LYS CE . 11261 1 204 . 1 1 23 23 LYS CG C 13 25.325 0.300 . 1 . . . . 23 LYS CG . 11261 1 205 . 1 1 23 23 LYS N N 15 126.671 0.300 . 1 . . . . 23 LYS N . 11261 1 206 . 1 1 24 24 THR H H 1 8.973 0.030 . 1 . . . . 24 THR H . 11261 1 207 . 1 1 24 24 THR HA H 1 5.268 0.030 . 1 . . . . 24 THR HA . 11261 1 208 . 1 1 24 24 THR HB H 1 4.848 0.030 . 1 . . . . 24 THR HB . 11261 1 209 . 1 1 24 24 THR HG21 H 1 1.086 0.030 . 1 . . . . 24 THR HG2 . 11261 1 210 . 1 1 24 24 THR HG22 H 1 1.086 0.030 . 1 . . . . 24 THR HG2 . 11261 1 211 . 1 1 24 24 THR HG23 H 1 1.086 0.030 . 1 . . . . 24 THR HG2 . 11261 1 212 . 1 1 24 24 THR C C 13 173.405 0.300 . 1 . . . . 24 THR C . 11261 1 213 . 1 1 24 24 THR CA C 13 59.695 0.300 . 1 . . . . 24 THR CA . 11261 1 214 . 1 1 24 24 THR CB C 13 68.384 0.300 . 1 . . . . 24 THR CB . 11261 1 215 . 1 1 24 24 THR CG2 C 13 22.572 0.300 . 1 . . . . 24 THR CG2 . 11261 1 216 . 1 1 24 24 THR N N 15 118.991 0.300 . 1 . . . . 24 THR N . 11261 1 217 . 1 1 25 25 PRO HA H 1 4.437 0.030 . 1 . . . . 25 PRO HA . 11261 1 218 . 1 1 25 25 PRO HB2 H 1 2.537 0.030 . 2 . . . . 25 PRO HB2 . 11261 1 219 . 1 1 25 25 PRO HB3 H 1 1.877 0.030 . 2 . . . . 25 PRO HB3 . 11261 1 220 . 1 1 25 25 PRO HD2 H 1 4.148 0.030 . 2 . . . . 25 PRO HD2 . 11261 1 221 . 1 1 25 25 PRO HD3 H 1 3.881 0.030 . 2 . . . . 25 PRO HD3 . 11261 1 222 . 1 1 25 25 PRO HG2 H 1 2.053 0.030 . 2 . . . . 25 PRO HG2 . 11261 1 223 . 1 1 25 25 PRO HG3 H 1 2.257 0.030 . 2 . . . . 25 PRO HG3 . 11261 1 224 . 1 1 25 25 PRO C C 13 177.243 0.300 . 1 . . . . 25 PRO C . 11261 1 225 . 1 1 25 25 PRO CA C 13 65.786 0.300 . 1 . . . . 25 PRO CA . 11261 1 226 . 1 1 25 25 PRO CB C 13 32.121 0.300 . 1 . . . . 25 PRO CB . 11261 1 227 . 1 1 25 25 PRO CD C 13 51.044 0.300 . 1 . . . . 25 PRO CD . 11261 1 228 . 1 1 25 25 PRO CG C 13 28.702 0.300 . 1 . . . . 25 PRO CG . 11261 1 229 . 1 1 26 26 LYS H H 1 7.758 0.030 . 1 . . . . 26 LYS H . 11261 1 230 . 1 1 26 26 LYS HA H 1 4.627 0.030 . 1 . . . . 26 LYS HA . 11261 1 231 . 1 1 26 26 LYS HB2 H 1 1.951 0.030 . 2 . . . . 26 LYS HB2 . 11261 1 232 . 1 1 26 26 LYS HB3 H 1 1.753 0.030 . 2 . . . . 26 LYS HB3 . 11261 1 233 . 1 1 26 26 LYS HD2 H 1 1.757 0.030 . 1 . . . . 26 LYS HD2 . 11261 1 234 . 1 1 26 26 LYS HD3 H 1 1.757 0.030 . 1 . . . . 26 LYS HD3 . 11261 1 235 . 1 1 26 26 LYS HE2 H 1 3.059 0.030 . 1 . . . . 26 LYS HE2 . 11261 1 236 . 1 1 26 26 LYS HE3 H 1 3.059 0.030 . 1 . . . . 26 LYS HE3 . 11261 1 237 . 1 1 26 26 LYS HG2 H 1 1.425 0.030 . 1 . . . . 26 LYS HG2 . 11261 1 238 . 1 1 26 26 LYS HG3 H 1 1.425 0.030 . 1 . . . . 26 LYS HG3 . 11261 1 239 . 1 1 26 26 LYS C C 13 175.112 0.300 . 1 . . . . 26 LYS C . 11261 1 240 . 1 1 26 26 LYS CA C 13 55.563 0.300 . 1 . . . . 26 LYS CA . 11261 1 241 . 1 1 26 26 LYS CB C 13 35.180 0.300 . 1 . . . . 26 LYS CB . 11261 1 242 . 1 1 26 26 LYS CD C 13 29.152 0.300 . 1 . . . . 26 LYS CD . 11261 1 243 . 1 1 26 26 LYS CE C 13 42.163 0.300 . 1 . . . . 26 LYS CE . 11261 1 244 . 1 1 26 26 LYS CG C 13 24.891 0.300 . 1 . . . . 26 LYS CG . 11261 1 245 . 1 1 26 26 LYS N N 15 111.550 0.300 . 1 . . . . 26 LYS N . 11261 1 246 . 1 1 27 27 ASP H H 1 8.024 0.030 . 1 . . . . 27 ASP H . 11261 1 247 . 1 1 27 27 ASP HA H 1 5.079 0.030 . 1 . . . . 27 ASP HA . 11261 1 248 . 1 1 27 27 ASP HB2 H 1 2.666 0.030 . 2 . . . . 27 ASP HB2 . 11261 1 249 . 1 1 27 27 ASP HB3 H 1 2.749 0.030 . 2 . . . . 27 ASP HB3 . 11261 1 250 . 1 1 27 27 ASP C C 13 173.917 0.300 . 1 . . . . 27 ASP C . 11261 1 251 . 1 1 27 27 ASP CA C 13 53.341 0.300 . 1 . . . . 27 ASP CA . 11261 1 252 . 1 1 27 27 ASP CB C 13 45.376 0.300 . 1 . . . . 27 ASP CB . 11261 1 253 . 1 1 27 27 ASP N N 15 120.441 0.300 . 1 . . . . 27 ASP N . 11261 1 254 . 1 1 28 28 LYS H H 1 8.831 0.030 . 1 . . . . 28 LYS H . 11261 1 255 . 1 1 28 28 LYS HA H 1 5.418 0.030 . 1 . . . . 28 LYS HA . 11261 1 256 . 1 1 28 28 LYS HB2 H 1 1.730 0.030 . 2 . . . . 28 LYS HB2 . 11261 1 257 . 1 1 28 28 LYS HB3 H 1 1.951 0.030 . 2 . . . . 28 LYS HB3 . 11261 1 258 . 1 1 28 28 LYS HD2 H 1 1.616 0.030 . 2 . . . . 28 LYS HD2 . 11261 1 259 . 1 1 28 28 LYS HD3 H 1 1.734 0.030 . 2 . . . . 28 LYS HD3 . 11261 1 260 . 1 1 28 28 LYS HE2 H 1 2.956 0.030 . 1 . . . . 28 LYS HE2 . 11261 1 261 . 1 1 28 28 LYS HE3 H 1 2.956 0.030 . 1 . . . . 28 LYS HE3 . 11261 1 262 . 1 1 28 28 LYS HG2 H 1 1.350 0.030 . 1 . . . . 28 LYS HG2 . 11261 1 263 . 1 1 28 28 LYS HG3 H 1 1.350 0.030 . 1 . . . . 28 LYS HG3 . 11261 1 264 . 1 1 28 28 LYS C C 13 174.128 0.300 . 1 . . . . 28 LYS C . 11261 1 265 . 1 1 28 28 LYS CA C 13 55.869 0.300 . 1 . . . . 28 LYS CA . 11261 1 266 . 1 1 28 28 LYS CB C 13 35.320 0.300 . 1 . . . . 28 LYS CB . 11261 1 267 . 1 1 28 28 LYS CD C 13 29.837 0.300 . 1 . . . . 28 LYS CD . 11261 1 268 . 1 1 28 28 LYS CE C 13 42.081 0.300 . 1 . . . . 28 LYS CE . 11261 1 269 . 1 1 28 28 LYS CG C 13 23.618 0.300 . 1 . . . . 28 LYS CG . 11261 1 270 . 1 1 28 28 LYS N N 15 119.614 0.300 . 1 . . . . 28 LYS N . 11261 1 271 . 1 1 29 29 GLU H H 1 8.973 0.030 . 1 . . . . 29 GLU H . 11261 1 272 . 1 1 29 29 GLU HA H 1 4.510 0.030 . 1 . . . . 29 GLU HA . 11261 1 273 . 1 1 29 29 GLU HB2 H 1 1.799 0.030 . 2 . . . . 29 GLU HB2 . 11261 1 274 . 1 1 29 29 GLU HB3 H 1 1.837 0.030 . 2 . . . . 29 GLU HB3 . 11261 1 275 . 1 1 29 29 GLU HG2 H 1 1.810 0.030 . 2 . . . . 29 GLU HG2 . 11261 1 276 . 1 1 29 29 GLU HG3 H 1 1.693 0.030 . 2 . . . . 29 GLU HG3 . 11261 1 277 . 1 1 29 29 GLU C C 13 173.081 0.300 . 1 . . . . 29 GLU C . 11261 1 278 . 1 1 29 29 GLU CA C 13 54.659 0.300 . 1 . . . . 29 GLU CA . 11261 1 279 . 1 1 29 29 GLU CB C 13 34.683 0.300 . 1 . . . . 29 GLU CB . 11261 1 280 . 1 1 29 29 GLU CG C 13 35.858 0.300 . 1 . . . . 29 GLU CG . 11261 1 281 . 1 1 29 29 GLU N N 15 122.093 0.300 . 1 . . . . 29 GLU N . 11261 1 282 . 1 1 30 30 ASP H H 1 8.619 0.030 . 1 . . . . 30 ASP H . 11261 1 283 . 1 1 30 30 ASP HA H 1 5.644 0.030 . 1 . . . . 30 ASP HA . 11261 1 284 . 1 1 30 30 ASP HB2 H 1 2.280 0.030 . 2 . . . . 30 ASP HB2 . 11261 1 285 . 1 1 30 30 ASP HB3 H 1 2.450 0.030 . 2 . . . . 30 ASP HB3 . 11261 1 286 . 1 1 30 30 ASP C C 13 175.848 0.300 . 1 . . . . 30 ASP C . 11261 1 287 . 1 1 30 30 ASP CA C 13 53.179 0.300 . 1 . . . . 30 ASP CA . 11261 1 288 . 1 1 30 30 ASP CB C 13 42.659 0.300 . 1 . . . . 30 ASP CB . 11261 1 289 . 1 1 30 30 ASP N N 15 123.672 0.300 . 1 . . . . 30 ASP N . 11261 1 290 . 1 1 31 31 PHE H H 1 9.348 0.030 . 1 . . . . 31 PHE H . 11261 1 291 . 1 1 31 31 PHE HA H 1 4.681 0.030 . 1 . . . . 31 PHE HA . 11261 1 292 . 1 1 31 31 PHE HB2 H 1 2.890 0.030 . 2 . . . . 31 PHE HB2 . 11261 1 293 . 1 1 31 31 PHE HB3 H 1 2.664 0.030 . 2 . . . . 31 PHE HB3 . 11261 1 294 . 1 1 31 31 PHE HD1 H 1 7.335 0.030 . 1 . . . . 31 PHE HD1 . 11261 1 295 . 1 1 31 31 PHE HD2 H 1 7.335 0.030 . 1 . . . . 31 PHE HD2 . 11261 1 296 . 1 1 31 31 PHE HE1 H 1 7.205 0.030 . 1 . . . . 31 PHE HE1 . 11261 1 297 . 1 1 31 31 PHE HE2 H 1 7.205 0.030 . 1 . . . . 31 PHE HE2 . 11261 1 298 . 1 1 31 31 PHE HZ H 1 6.927 0.030 . 1 . . . . 31 PHE HZ . 11261 1 299 . 1 1 31 31 PHE C C 13 174.266 0.300 . 1 . . . . 31 PHE C . 11261 1 300 . 1 1 31 31 PHE CA C 13 57.261 0.300 . 1 . . . . 31 PHE CA . 11261 1 301 . 1 1 31 31 PHE CB C 13 42.323 0.300 . 1 . . . . 31 PHE CB . 11261 1 302 . 1 1 31 31 PHE CD1 C 13 132.740 0.300 . 1 . . . . 31 PHE CD1 . 11261 1 303 . 1 1 31 31 PHE CD2 C 13 132.740 0.300 . 1 . . . . 31 PHE CD2 . 11261 1 304 . 1 1 31 31 PHE CE1 C 13 130.693 0.300 . 1 . . . . 31 PHE CE1 . 11261 1 305 . 1 1 31 31 PHE CE2 C 13 130.693 0.300 . 1 . . . . 31 PHE CE2 . 11261 1 306 . 1 1 31 31 PHE CZ C 13 127.972 0.300 . 1 . . . . 31 PHE CZ . 11261 1 307 . 1 1 31 31 PHE N N 15 120.507 0.300 . 1 . . . . 31 PHE N . 11261 1 308 . 1 1 32 32 SER H H 1 8.720 0.030 . 1 . . . . 32 SER H . 11261 1 309 . 1 1 32 32 SER HA H 1 5.477 0.030 . 1 . . . . 32 SER HA . 11261 1 310 . 1 1 32 32 SER HB2 H 1 3.706 0.030 . 1 . . . . 32 SER HB2 . 11261 1 311 . 1 1 32 32 SER HB3 H 1 3.706 0.030 . 1 . . . . 32 SER HB3 . 11261 1 312 . 1 1 32 32 SER C C 13 174.290 0.300 . 1 . . . . 32 SER C . 11261 1 313 . 1 1 32 32 SER CA C 13 57.368 0.300 . 1 . . . . 32 SER CA . 11261 1 314 . 1 1 32 32 SER CB C 13 63.172 0.300 . 1 . . . . 32 SER CB . 11261 1 315 . 1 1 32 32 SER N N 15 119.728 0.300 . 1 . . . . 32 SER N . 11261 1 316 . 1 1 33 33 VAL H H 1 8.883 0.030 . 1 . . . . 33 VAL H . 11261 1 317 . 1 1 33 33 VAL HA H 1 4.827 0.030 . 1 . . . . 33 VAL HA . 11261 1 318 . 1 1 33 33 VAL HB H 1 2.294 0.030 . 1 . . . . 33 VAL HB . 11261 1 319 . 1 1 33 33 VAL HG11 H 1 0.872 0.030 . 1 . . . . 33 VAL HG1 . 11261 1 320 . 1 1 33 33 VAL HG12 H 1 0.872 0.030 . 1 . . . . 33 VAL HG1 . 11261 1 321 . 1 1 33 33 VAL HG13 H 1 0.872 0.030 . 1 . . . . 33 VAL HG1 . 11261 1 322 . 1 1 33 33 VAL HG21 H 1 0.653 0.030 . 1 . . . . 33 VAL HG2 . 11261 1 323 . 1 1 33 33 VAL HG22 H 1 0.653 0.030 . 1 . . . . 33 VAL HG2 . 11261 1 324 . 1 1 33 33 VAL HG23 H 1 0.653 0.030 . 1 . . . . 33 VAL HG2 . 11261 1 325 . 1 1 33 33 VAL C C 13 174.328 0.300 . 1 . . . . 33 VAL C . 11261 1 326 . 1 1 33 33 VAL CA C 13 58.615 0.300 . 1 . . . . 33 VAL CA . 11261 1 327 . 1 1 33 33 VAL CB C 13 36.422 0.300 . 1 . . . . 33 VAL CB . 11261 1 328 . 1 1 33 33 VAL CG1 C 13 22.423 0.300 . 2 . . . . 33 VAL CG1 . 11261 1 329 . 1 1 33 33 VAL CG2 C 13 18.640 0.300 . 2 . . . . 33 VAL CG2 . 11261 1 330 . 1 1 33 33 VAL N N 15 120.418 0.300 . 1 . . . . 33 VAL N . 11261 1 331 . 1 1 34 34 THR H H 1 8.232 0.030 . 1 . . . . 34 THR H . 11261 1 332 . 1 1 34 34 THR HA H 1 4.969 0.030 . 1 . . . . 34 THR HA . 11261 1 333 . 1 1 34 34 THR HB H 1 4.317 0.030 . 1 . . . . 34 THR HB . 11261 1 334 . 1 1 34 34 THR HG21 H 1 1.263 0.030 . 1 . . . . 34 THR HG2 . 11261 1 335 . 1 1 34 34 THR HG22 H 1 1.263 0.030 . 1 . . . . 34 THR HG2 . 11261 1 336 . 1 1 34 34 THR HG23 H 1 1.263 0.030 . 1 . . . . 34 THR HG2 . 11261 1 337 . 1 1 34 34 THR C C 13 176.085 0.300 . 1 . . . . 34 THR C . 11261 1 338 . 1 1 34 34 THR CA C 13 61.145 0.300 . 1 . . . . 34 THR CA . 11261 1 339 . 1 1 34 34 THR CB C 13 70.097 0.300 . 1 . . . . 34 THR CB . 11261 1 340 . 1 1 34 34 THR CG2 C 13 22.588 0.300 . 1 . . . . 34 THR CG2 . 11261 1 341 . 1 1 34 34 THR N N 15 112.952 0.300 . 1 . . . . 34 THR N . 11261 1 342 . 1 1 35 35 ASP H H 1 9.025 0.030 . 1 . . . . 35 ASP H . 11261 1 343 . 1 1 35 35 ASP HA H 1 4.169 0.030 . 1 . . . . 35 ASP HA . 11261 1 344 . 1 1 35 35 ASP HB2 H 1 2.922 0.030 . 2 . . . . 35 ASP HB2 . 11261 1 345 . 1 1 35 35 ASP HB3 H 1 2.642 0.030 . 2 . . . . 35 ASP HB3 . 11261 1 346 . 1 1 35 35 ASP C C 13 176.147 0.300 . 1 . . . . 35 ASP C . 11261 1 347 . 1 1 35 35 ASP CA C 13 56.071 0.300 . 1 . . . . 35 ASP CA . 11261 1 348 . 1 1 35 35 ASP CB C 13 39.406 0.300 . 1 . . . . 35 ASP CB . 11261 1 349 . 1 1 35 35 ASP N N 15 121.897 0.300 . 1 . . . . 35 ASP N . 11261 1 350 . 1 1 36 36 THR H H 1 7.351 0.030 . 1 . . . . 36 THR H . 11261 1 351 . 1 1 36 36 THR HA H 1 4.286 0.030 . 1 . . . . 36 THR HA . 11261 1 352 . 1 1 36 36 THR HB H 1 4.514 0.030 . 1 . . . . 36 THR HB . 11261 1 353 . 1 1 36 36 THR HG21 H 1 1.218 0.030 . 1 . . . . 36 THR HG2 . 11261 1 354 . 1 1 36 36 THR HG22 H 1 1.218 0.030 . 1 . . . . 36 THR HG2 . 11261 1 355 . 1 1 36 36 THR HG23 H 1 1.218 0.030 . 1 . . . . 36 THR HG2 . 11261 1 356 . 1 1 36 36 THR C C 13 174.801 0.300 . 1 . . . . 36 THR C . 11261 1 357 . 1 1 36 36 THR CA C 13 61.072 0.300 . 1 . . . . 36 THR CA . 11261 1 358 . 1 1 36 36 THR CB C 13 69.073 0.300 . 1 . . . . 36 THR CB . 11261 1 359 . 1 1 36 36 THR CG2 C 13 22.259 0.300 . 1 . . . . 36 THR CG2 . 11261 1 360 . 1 1 36 36 THR N N 15 106.156 0.300 . 1 . . . . 36 THR N . 11261 1 361 . 1 1 37 37 CYS H H 1 7.843 0.030 . 1 . . . . 37 CYS H . 11261 1 362 . 1 1 37 37 CYS HA H 1 4.302 0.030 . 1 . . . . 37 CYS HA . 11261 1 363 . 1 1 37 37 CYS HB2 H 1 2.989 0.030 . 2 . . . . 37 CYS HB2 . 11261 1 364 . 1 1 37 37 CYS HB3 H 1 3.097 0.030 . 2 . . . . 37 CYS HB3 . 11261 1 365 . 1 1 37 37 CYS C C 13 174.139 0.300 . 1 . . . . 37 CYS C . 11261 1 366 . 1 1 37 37 CYS CA C 13 60.061 0.300 . 1 . . . . 37 CYS CA . 11261 1 367 . 1 1 37 37 CYS CB C 13 27.923 0.300 . 1 . . . . 37 CYS CB . 11261 1 368 . 1 1 37 37 CYS N N 15 125.005 0.300 . 1 . . . . 37 CYS N . 11261 1 369 . 1 1 38 38 THR H H 1 8.411 0.030 . 1 . . . . 38 THR H . 11261 1 370 . 1 1 38 38 THR HA H 1 5.022 0.030 . 1 . . . . 38 THR HA . 11261 1 371 . 1 1 38 38 THR HB H 1 4.730 0.030 . 1 . . . . 38 THR HB . 11261 1 372 . 1 1 38 38 THR HG21 H 1 1.218 0.030 . 1 . . . . 38 THR HG2 . 11261 1 373 . 1 1 38 38 THR HG22 H 1 1.218 0.030 . 1 . . . . 38 THR HG2 . 11261 1 374 . 1 1 38 38 THR HG23 H 1 1.218 0.030 . 1 . . . . 38 THR HG2 . 11261 1 375 . 1 1 38 38 THR C C 13 176.271 0.300 . 1 . . . . 38 THR C . 11261 1 376 . 1 1 38 38 THR CA C 13 60.495 0.300 . 1 . . . . 38 THR CA . 11261 1 377 . 1 1 38 38 THR CB C 13 71.495 0.300 . 1 . . . . 38 THR CB . 11261 1 378 . 1 1 38 38 THR CG2 C 13 22.094 0.300 . 1 . . . . 38 THR CG2 . 11261 1 379 . 1 1 38 38 THR N N 15 116.695 0.300 . 1 . . . . 38 THR N . 11261 1 380 . 1 1 39 39 ILE H H 1 8.566 0.030 . 1 . . . . 39 ILE H . 11261 1 381 . 1 1 39 39 ILE HA H 1 3.670 0.030 . 1 . . . . 39 ILE HA . 11261 1 382 . 1 1 39 39 ILE HB H 1 2.694 0.030 . 1 . . . . 39 ILE HB . 11261 1 383 . 1 1 39 39 ILE HD11 H 1 0.572 0.030 . 1 . . . . 39 ILE HD1 . 11261 1 384 . 1 1 39 39 ILE HD12 H 1 0.572 0.030 . 1 . . . . 39 ILE HD1 . 11261 1 385 . 1 1 39 39 ILE HD13 H 1 0.572 0.030 . 1 . . . . 39 ILE HD1 . 11261 1 386 . 1 1 39 39 ILE HG12 H 1 1.186 0.030 . 2 . . . . 39 ILE HG12 . 11261 1 387 . 1 1 39 39 ILE HG13 H 1 1.737 0.030 . 2 . . . . 39 ILE HG13 . 11261 1 388 . 1 1 39 39 ILE HG21 H 1 0.743 0.030 . 1 . . . . 39 ILE HG2 . 11261 1 389 . 1 1 39 39 ILE HG22 H 1 0.743 0.030 . 1 . . . . 39 ILE HG2 . 11261 1 390 . 1 1 39 39 ILE HG23 H 1 0.743 0.030 . 1 . . . . 39 ILE HG2 . 11261 1 391 . 1 1 39 39 ILE C C 13 178.564 0.300 . 1 . . . . 39 ILE C . 11261 1 392 . 1 1 39 39 ILE CA C 13 62.012 0.300 . 1 . . . . 39 ILE CA . 11261 1 393 . 1 1 39 39 ILE CB C 13 33.707 0.300 . 1 . . . . 39 ILE CB . 11261 1 394 . 1 1 39 39 ILE CD1 C 13 9.787 0.300 . 1 . . . . 39 ILE CD1 . 11261 1 395 . 1 1 39 39 ILE CG1 C 13 26.865 0.300 . 1 . . . . 39 ILE CG1 . 11261 1 396 . 1 1 39 39 ILE CG2 C 13 17.324 0.300 . 1 . . . . 39 ILE CG2 . 11261 1 397 . 1 1 39 39 ILE N N 15 123.740 0.300 . 1 . . . . 39 ILE N . 11261 1 398 . 1 1 40 40 GLN H H 1 9.187 0.030 . 1 . . . . 40 GLN H . 11261 1 399 . 1 1 40 40 GLN HA H 1 3.742 0.030 . 1 . . . . 40 GLN HA . 11261 1 400 . 1 1 40 40 GLN HB2 H 1 1.958 0.030 . 1 . . . . 40 GLN HB2 . 11261 1 401 . 1 1 40 40 GLN HB3 H 1 1.958 0.030 . 1 . . . . 40 GLN HB3 . 11261 1 402 . 1 1 40 40 GLN HE21 H 1 6.773 0.030 . 2 . . . . 40 GLN HE21 . 11261 1 403 . 1 1 40 40 GLN HE22 H 1 7.593 0.030 . 2 . . . . 40 GLN HE22 . 11261 1 404 . 1 1 40 40 GLN HG2 H 1 2.285 0.030 . 2 . . . . 40 GLN HG2 . 11261 1 405 . 1 1 40 40 GLN HG3 H 1 2.350 0.030 . 2 . . . . 40 GLN HG3 . 11261 1 406 . 1 1 40 40 GLN C C 13 178.191 0.300 . 1 . . . . 40 GLN C . 11261 1 407 . 1 1 40 40 GLN CA C 13 60.025 0.300 . 1 . . . . 40 GLN CA . 11261 1 408 . 1 1 40 40 GLN CB C 13 28.603 0.300 . 1 . . . . 40 GLN CB . 11261 1 409 . 1 1 40 40 GLN CG C 13 33.198 0.300 . 1 . . . . 40 GLN CG . 11261 1 410 . 1 1 40 40 GLN N N 15 121.292 0.300 . 1 . . . . 40 GLN N . 11261 1 411 . 1 1 40 40 GLN NE2 N 15 111.785 0.300 . 1 . . . . 40 GLN NE2 . 11261 1 412 . 1 1 41 41 GLN H H 1 7.734 0.030 . 1 . . . . 41 GLN H . 11261 1 413 . 1 1 41 41 GLN HA H 1 3.977 0.030 . 1 . . . . 41 GLN HA . 11261 1 414 . 1 1 41 41 GLN HB2 H 1 2.012 0.030 . 2 . . . . 41 GLN HB2 . 11261 1 415 . 1 1 41 41 GLN HB3 H 1 2.450 0.030 . 2 . . . . 41 GLN HB3 . 11261 1 416 . 1 1 41 41 GLN HE21 H 1 6.803 0.030 . 2 . . . . 41 GLN HE21 . 11261 1 417 . 1 1 41 41 GLN HE22 H 1 7.679 0.030 . 2 . . . . 41 GLN HE22 . 11261 1 418 . 1 1 41 41 GLN HG2 H 1 2.425 0.030 . 1 . . . . 41 GLN HG2 . 11261 1 419 . 1 1 41 41 GLN HG3 H 1 2.425 0.030 . 1 . . . . 41 GLN HG3 . 11261 1 420 . 1 1 41 41 GLN C C 13 179.474 0.300 . 1 . . . . 41 GLN C . 11261 1 421 . 1 1 41 41 GLN CA C 13 58.670 0.300 . 1 . . . . 41 GLN CA . 11261 1 422 . 1 1 41 41 GLN CB C 13 28.702 0.300 . 1 . . . . 41 GLN CB . 11261 1 423 . 1 1 41 41 GLN CG C 13 34.604 0.300 . 1 . . . . 41 GLN CG . 11261 1 424 . 1 1 41 41 GLN N N 15 118.820 0.300 . 1 . . . . 41 GLN N . 11261 1 425 . 1 1 41 41 GLN NE2 N 15 111.915 0.300 . 1 . . . . 41 GLN NE2 . 11261 1 426 . 1 1 42 42 LEU H H 1 8.699 0.030 . 1 . . . . 42 LEU H . 11261 1 427 . 1 1 42 42 LEU HA H 1 3.954 0.030 . 1 . . . . 42 LEU HA . 11261 1 428 . 1 1 42 42 LEU HB2 H 1 1.906 0.030 . 2 . . . . 42 LEU HB2 . 11261 1 429 . 1 1 42 42 LEU HB3 H 1 1.392 0.030 . 2 . . . . 42 LEU HB3 . 11261 1 430 . 1 1 42 42 LEU HD11 H 1 0.577 0.030 . 1 . . . . 42 LEU HD1 . 11261 1 431 . 1 1 42 42 LEU HD12 H 1 0.577 0.030 . 1 . . . . 42 LEU HD1 . 11261 1 432 . 1 1 42 42 LEU HD13 H 1 0.577 0.030 . 1 . . . . 42 LEU HD1 . 11261 1 433 . 1 1 42 42 LEU HD21 H 1 0.657 0.030 . 1 . . . . 42 LEU HD2 . 11261 1 434 . 1 1 42 42 LEU HD22 H 1 0.657 0.030 . 1 . . . . 42 LEU HD2 . 11261 1 435 . 1 1 42 42 LEU HD23 H 1 0.657 0.030 . 1 . . . . 42 LEU HD2 . 11261 1 436 . 1 1 42 42 LEU HG H 1 1.307 0.030 . 1 . . . . 42 LEU HG . 11261 1 437 . 1 1 42 42 LEU C C 13 178.888 0.300 . 1 . . . . 42 LEU C . 11261 1 438 . 1 1 42 42 LEU CA C 13 57.784 0.300 . 1 . . . . 42 LEU CA . 11261 1 439 . 1 1 42 42 LEU CB C 13 41.205 0.300 . 1 . . . . 42 LEU CB . 11261 1 440 . 1 1 42 42 LEU CD1 C 13 22.670 0.300 . 2 . . . . 42 LEU CD1 . 11261 1 441 . 1 1 42 42 LEU CD2 C 13 26.137 0.300 . 2 . . . . 42 LEU CD2 . 11261 1 442 . 1 1 42 42 LEU CG C 13 26.658 0.300 . 1 . . . . 42 LEU CG . 11261 1 443 . 1 1 42 42 LEU N N 15 122.938 0.300 . 1 . . . . 42 LEU N . 11261 1 444 . 1 1 43 43 LYS H H 1 8.766 0.030 . 1 . . . . 43 LYS H . 11261 1 445 . 1 1 43 43 LYS HA H 1 3.563 0.030 . 1 . . . . 43 LYS HA . 11261 1 446 . 1 1 43 43 LYS HB2 H 1 1.613 0.030 . 2 . . . . 43 LYS HB2 . 11261 1 447 . 1 1 43 43 LYS HB3 H 1 2.201 0.030 . 2 . . . . 43 LYS HB3 . 11261 1 448 . 1 1 43 43 LYS HD2 H 1 1.691 0.030 . 2 . . . . 43 LYS HD2 . 11261 1 449 . 1 1 43 43 LYS HD3 H 1 1.774 0.030 . 2 . . . . 43 LYS HD3 . 11261 1 450 . 1 1 43 43 LYS HE2 H 1 2.624 0.030 . 2 . . . . 43 LYS HE2 . 11261 1 451 . 1 1 43 43 LYS HE3 H 1 2.701 0.030 . 2 . . . . 43 LYS HE3 . 11261 1 452 . 1 1 43 43 LYS HG2 H 1 0.888 0.030 . 2 . . . . 43 LYS HG2 . 11261 1 453 . 1 1 43 43 LYS HG3 H 1 1.713 0.030 . 2 . . . . 43 LYS HG3 . 11261 1 454 . 1 1 43 43 LYS C C 13 178.427 0.300 . 1 . . . . 43 LYS C . 11261 1 455 . 1 1 43 43 LYS CA C 13 60.856 0.300 . 1 . . . . 43 LYS CA . 11261 1 456 . 1 1 43 43 LYS CB C 13 33.526 0.300 . 1 . . . . 43 LYS CB . 11261 1 457 . 1 1 43 43 LYS CD C 13 30.319 0.300 . 1 . . . . 43 LYS CD . 11261 1 458 . 1 1 43 43 LYS CG C 13 27.934 0.300 . 1 . . . . 43 LYS CG . 11261 1 459 . 1 1 43 43 LYS N N 15 117.738 0.300 . 1 . . . . 43 LYS N . 11261 1 460 . 1 1 44 44 GLU H H 1 7.552 0.030 . 1 . . . . 44 GLU H . 11261 1 461 . 1 1 44 44 GLU HA H 1 3.886 0.030 . 1 . . . . 44 GLU HA . 11261 1 462 . 1 1 44 44 GLU HB2 H 1 2.141 0.030 . 2 . . . . 44 GLU HB2 . 11261 1 463 . 1 1 44 44 GLU HB3 H 1 2.250 0.030 . 2 . . . . 44 GLU HB3 . 11261 1 464 . 1 1 44 44 GLU HG2 H 1 2.258 0.030 . 2 . . . . 44 GLU HG2 . 11261 1 465 . 1 1 44 44 GLU HG3 H 1 2.436 0.030 . 2 . . . . 44 GLU HG3 . 11261 1 466 . 1 1 44 44 GLU C C 13 179.437 0.300 . 1 . . . . 44 GLU C . 11261 1 467 . 1 1 44 44 GLU CA C 13 60.022 0.300 . 1 . . . . 44 GLU CA . 11261 1 468 . 1 1 44 44 GLU CB C 13 28.929 0.300 . 1 . . . . 44 GLU CB . 11261 1 469 . 1 1 44 44 GLU CG C 13 35.995 0.300 . 1 . . . . 44 GLU CG . 11261 1 470 . 1 1 44 44 GLU N N 15 118.550 0.300 . 1 . . . . 44 GLU N . 11261 1 471 . 1 1 45 45 GLU H H 1 7.646 0.030 . 1 . . . . 45 GLU H . 11261 1 472 . 1 1 45 45 GLU HA H 1 4.193 0.030 . 1 . . . . 45 GLU HA . 11261 1 473 . 1 1 45 45 GLU HB2 H 1 2.072 0.030 . 2 . . . . 45 GLU HB2 . 11261 1 474 . 1 1 45 45 GLU HB3 H 1 2.182 0.030 . 2 . . . . 45 GLU HB3 . 11261 1 475 . 1 1 45 45 GLU HG2 H 1 2.340 0.030 . 1 . . . . 45 GLU HG2 . 11261 1 476 . 1 1 45 45 GLU HG3 H 1 2.340 0.030 . 1 . . . . 45 GLU HG3 . 11261 1 477 . 1 1 45 45 GLU C C 13 179.798 0.300 . 1 . . . . 45 GLU C . 11261 1 478 . 1 1 45 45 GLU CA C 13 59.356 0.300 . 1 . . . . 45 GLU CA . 11261 1 479 . 1 1 45 45 GLU CB C 13 29.593 0.300 . 1 . . . . 45 GLU CB . 11261 1 480 . 1 1 45 45 GLU CG C 13 35.583 0.300 . 1 . . . . 45 GLU CG . 11261 1 481 . 1 1 45 45 GLU N N 15 119.974 0.300 . 1 . . . . 45 GLU N . 11261 1 482 . 1 1 46 46 ILE H H 1 8.385 0.030 . 1 . . . . 46 ILE H . 11261 1 483 . 1 1 46 46 ILE HA H 1 3.896 0.030 . 1 . . . . 46 ILE HA . 11261 1 484 . 1 1 46 46 ILE HB H 1 1.771 0.030 . 1 . . . . 46 ILE HB . 11261 1 485 . 1 1 46 46 ILE HD11 H 1 0.550 0.030 . 1 . . . . 46 ILE HD1 . 11261 1 486 . 1 1 46 46 ILE HD12 H 1 0.550 0.030 . 1 . . . . 46 ILE HD1 . 11261 1 487 . 1 1 46 46 ILE HD13 H 1 0.550 0.030 . 1 . . . . 46 ILE HD1 . 11261 1 488 . 1 1 46 46 ILE HG12 H 1 0.805 0.030 . 2 . . . . 46 ILE HG12 . 11261 1 489 . 1 1 46 46 ILE HG13 H 1 1.137 0.030 . 2 . . . . 46 ILE HG13 . 11261 1 490 . 1 1 46 46 ILE HG21 H 1 0.374 0.030 . 1 . . . . 46 ILE HG2 . 11261 1 491 . 1 1 46 46 ILE HG22 H 1 0.374 0.030 . 1 . . . . 46 ILE HG2 . 11261 1 492 . 1 1 46 46 ILE HG23 H 1 0.374 0.030 . 1 . . . . 46 ILE HG2 . 11261 1 493 . 1 1 46 46 ILE C C 13 177.716 0.300 . 1 . . . . 46 ILE C . 11261 1 494 . 1 1 46 46 ILE CA C 13 64.072 0.300 . 1 . . . . 46 ILE CA . 11261 1 495 . 1 1 46 46 ILE CB C 13 37.787 0.300 . 1 . . . . 46 ILE CB . 11261 1 496 . 1 1 46 46 ILE CD1 C 13 16.085 0.300 . 1 . . . . 46 ILE CD1 . 11261 1 497 . 1 1 46 46 ILE CG1 C 13 27.068 0.300 . 1 . . . . 46 ILE CG1 . 11261 1 498 . 1 1 46 46 ILE CG2 C 13 17.817 0.300 . 1 . . . . 46 ILE CG2 . 11261 1 499 . 1 1 46 46 ILE N N 15 116.631 0.300 . 1 . . . . 46 ILE N . 11261 1 500 . 1 1 47 47 SER H H 1 8.141 0.030 . 1 . . . . 47 SER H . 11261 1 501 . 1 1 47 47 SER HA H 1 4.016 0.030 . 1 . . . . 47 SER HA . 11261 1 502 . 1 1 47 47 SER HB2 H 1 4.144 0.030 . 1 . . . . 47 SER HB2 . 11261 1 503 . 1 1 47 47 SER HB3 H 1 4.144 0.030 . 1 . . . . 47 SER HB3 . 11261 1 504 . 1 1 47 47 SER C C 13 176.446 0.300 . 1 . . . . 47 SER C . 11261 1 505 . 1 1 47 47 SER CA C 13 62.485 0.300 . 1 . . . . 47 SER CA . 11261 1 506 . 1 1 47 47 SER CB C 13 62.590 0.300 . 1 . . . . 47 SER CB . 11261 1 507 . 1 1 47 47 SER N N 15 116.561 0.300 . 1 . . . . 47 SER N . 11261 1 508 . 1 1 48 48 GLN H H 1 7.588 0.030 . 1 . . . . 48 GLN H . 11261 1 509 . 1 1 48 48 GLN HA H 1 4.205 0.030 . 1 . . . . 48 GLN HA . 11261 1 510 . 1 1 48 48 GLN HB2 H 1 2.252 0.030 . 2 . . . . 48 GLN HB2 . 11261 1 511 . 1 1 48 48 GLN HB3 H 1 2.213 0.030 . 2 . . . . 48 GLN HB3 . 11261 1 512 . 1 1 48 48 GLN HE21 H 1 6.885 0.030 . 2 . . . . 48 GLN HE21 . 11261 1 513 . 1 1 48 48 GLN HE22 H 1 7.563 0.030 . 2 . . . . 48 GLN HE22 . 11261 1 514 . 1 1 48 48 GLN HG2 H 1 2.474 0.030 . 2 . . . . 48 GLN HG2 . 11261 1 515 . 1 1 48 48 GLN HG3 H 1 2.583 0.030 . 2 . . . . 48 GLN HG3 . 11261 1 516 . 1 1 48 48 GLN C C 13 178.490 0.300 . 1 . . . . 48 GLN C . 11261 1 517 . 1 1 48 48 GLN CA C 13 58.634 0.300 . 1 . . . . 48 GLN CA . 11261 1 518 . 1 1 48 48 GLN CB C 13 28.475 0.300 . 1 . . . . 48 GLN CB . 11261 1 519 . 1 1 48 48 GLN CG C 13 33.938 0.300 . 1 . . . . 48 GLN CG . 11261 1 520 . 1 1 48 48 GLN N N 15 118.888 0.300 . 1 . . . . 48 GLN N . 11261 1 521 . 1 1 48 48 GLN NE2 N 15 112.413 0.300 . 1 . . . . 48 GLN NE2 . 11261 1 522 . 1 1 49 49 ARG H H 1 7.948 0.030 . 1 . . . . 49 ARG H . 11261 1 523 . 1 1 49 49 ARG HA H 1 4.202 0.030 . 1 . . . . 49 ARG HA . 11261 1 524 . 1 1 49 49 ARG HB2 H 1 2.123 0.030 . 2 . . . . 49 ARG HB2 . 11261 1 525 . 1 1 49 49 ARG HB3 H 1 1.963 0.030 . 2 . . . . 49 ARG HB3 . 11261 1 526 . 1 1 49 49 ARG HD2 H 1 3.025 0.030 . 2 . . . . 49 ARG HD2 . 11261 1 527 . 1 1 49 49 ARG HD3 H 1 3.137 0.030 . 2 . . . . 49 ARG HD3 . 11261 1 528 . 1 1 49 49 ARG HE H 1 7.909 0.030 . 1 . . . . 49 ARG HE . 11261 1 529 . 1 1 49 49 ARG HG2 H 1 1.307 0.030 . 2 . . . . 49 ARG HG2 . 11261 1 530 . 1 1 49 49 ARG HG3 H 1 0.816 0.030 . 2 . . . . 49 ARG HG3 . 11261 1 531 . 1 1 49 49 ARG C C 13 177.692 0.300 . 1 . . . . 49 ARG C . 11261 1 532 . 1 1 49 49 ARG CA C 13 57.170 0.300 . 1 . . . . 49 ARG CA . 11261 1 533 . 1 1 49 49 ARG CB C 13 29.631 0.300 . 1 . . . . 49 ARG CB . 11261 1 534 . 1 1 49 49 ARG CD C 13 41.107 0.300 . 1 . . . . 49 ARG CD . 11261 1 535 . 1 1 49 49 ARG CG C 13 25.972 0.300 . 1 . . . . 49 ARG CG . 11261 1 536 . 1 1 49 49 ARG N N 15 120.234 0.300 . 1 . . . . 49 ARG N . 11261 1 537 . 1 1 49 49 ARG NE N 15 82.726 0.300 . 1 . . . . 49 ARG NE . 11261 1 538 . 1 1 50 50 PHE H H 1 8.244 0.030 . 1 . . . . 50 PHE H . 11261 1 539 . 1 1 50 50 PHE HA H 1 4.510 0.030 . 1 . . . . 50 PHE HA . 11261 1 540 . 1 1 50 50 PHE HB2 H 1 3.287 0.030 . 2 . . . . 50 PHE HB2 . 11261 1 541 . 1 1 50 50 PHE HB3 H 1 2.462 0.030 . 2 . . . . 50 PHE HB3 . 11261 1 542 . 1 1 50 50 PHE HD1 H 1 7.430 0.030 . 1 . . . . 50 PHE HD1 . 11261 1 543 . 1 1 50 50 PHE HD2 H 1 7.430 0.030 . 1 . . . . 50 PHE HD2 . 11261 1 544 . 1 1 50 50 PHE HE1 H 1 7.157 0.030 . 1 . . . . 50 PHE HE1 . 11261 1 545 . 1 1 50 50 PHE HE2 H 1 7.157 0.030 . 1 . . . . 50 PHE HE2 . 11261 1 546 . 1 1 50 50 PHE HZ H 1 7.150 0.030 . 1 . . . . 50 PHE HZ . 11261 1 547 . 1 1 50 50 PHE C C 13 173.829 0.300 . 1 . . . . 50 PHE C . 11261 1 548 . 1 1 50 50 PHE CA C 13 58.597 0.300 . 1 . . . . 50 PHE CA . 11261 1 549 . 1 1 50 50 PHE CB C 13 38.535 0.300 . 1 . . . . 50 PHE CB . 11261 1 550 . 1 1 50 50 PHE CD1 C 13 132.221 0.300 . 1 . . . . 50 PHE CD1 . 11261 1 551 . 1 1 50 50 PHE CD2 C 13 132.221 0.300 . 1 . . . . 50 PHE CD2 . 11261 1 552 . 1 1 50 50 PHE CE1 C 13 130.412 0.300 . 1 . . . . 50 PHE CE1 . 11261 1 553 . 1 1 50 50 PHE CE2 C 13 130.412 0.300 . 1 . . . . 50 PHE CE2 . 11261 1 554 . 1 1 50 50 PHE CZ C 13 128.851 0.300 . 1 . . . . 50 PHE CZ . 11261 1 555 . 1 1 50 50 PHE N N 15 114.596 0.300 . 1 . . . . 50 PHE N . 11261 1 556 . 1 1 51 51 LYS H H 1 7.751 0.030 . 1 . . . . 51 LYS H . 11261 1 557 . 1 1 51 51 LYS HA H 1 3.987 0.030 . 1 . . . . 51 LYS HA . 11261 1 558 . 1 1 51 51 LYS HB2 H 1 2.109 0.030 . 2 . . . . 51 LYS HB2 . 11261 1 559 . 1 1 51 51 LYS HB3 H 1 1.841 0.030 . 2 . . . . 51 LYS HB3 . 11261 1 560 . 1 1 51 51 LYS HD2 H 1 1.739 0.030 . 2 . . . . 51 LYS HD2 . 11261 1 561 . 1 1 51 51 LYS HD3 H 1 1.668 0.030 . 2 . . . . 51 LYS HD3 . 11261 1 562 . 1 1 51 51 LYS HE2 H 1 3.034 0.030 . 1 . . . . 51 LYS HE2 . 11261 1 563 . 1 1 51 51 LYS HE3 H 1 3.034 0.030 . 1 . . . . 51 LYS HE3 . 11261 1 564 . 1 1 51 51 LYS HG2 H 1 1.369 0.030 . 1 . . . . 51 LYS HG2 . 11261 1 565 . 1 1 51 51 LYS HG3 H 1 1.369 0.030 . 1 . . . . 51 LYS HG3 . 11261 1 566 . 1 1 51 51 LYS C C 13 174.639 0.300 . 1 . . . . 51 LYS C . 11261 1 567 . 1 1 51 51 LYS CA C 13 56.753 0.300 . 1 . . . . 51 LYS CA . 11261 1 568 . 1 1 51 51 LYS CB C 13 28.739 0.300 . 1 . . . . 51 LYS CB . 11261 1 569 . 1 1 51 51 LYS CD C 13 29.156 0.300 . 1 . . . . 51 LYS CD . 11261 1 570 . 1 1 51 51 LYS CE C 13 42.492 0.300 . 1 . . . . 51 LYS CE . 11261 1 571 . 1 1 51 51 LYS CG C 13 24.809 0.300 . 1 . . . . 51 LYS CG . 11261 1 572 . 1 1 51 51 LYS N N 15 117.086 0.300 . 1 . . . . 51 LYS N . 11261 1 573 . 1 1 52 52 ALA H H 1 7.922 0.030 . 1 . . . . 52 ALA H . 11261 1 574 . 1 1 52 52 ALA HA H 1 4.728 0.030 . 1 . . . . 52 ALA HA . 11261 1 575 . 1 1 52 52 ALA HB1 H 1 1.195 0.030 . 1 . . . . 52 ALA HB . 11261 1 576 . 1 1 52 52 ALA HB2 H 1 1.195 0.030 . 1 . . . . 52 ALA HB . 11261 1 577 . 1 1 52 52 ALA HB3 H 1 1.195 0.030 . 1 . . . . 52 ALA HB . 11261 1 578 . 1 1 52 52 ALA C C 13 175.175 0.300 . 1 . . . . 52 ALA C . 11261 1 579 . 1 1 52 52 ALA CA C 13 50.411 0.300 . 1 . . . . 52 ALA CA . 11261 1 580 . 1 1 52 52 ALA CB C 13 22.965 0.300 . 1 . . . . 52 ALA CB . 11261 1 581 . 1 1 52 52 ALA N N 15 120.990 0.300 . 1 . . . . 52 ALA N . 11261 1 582 . 1 1 53 53 HIS H H 1 8.427 0.030 . 1 . . . . 53 HIS H . 11261 1 583 . 1 1 53 53 HIS HA H 1 4.729 0.030 . 1 . . . . 53 HIS HA . 11261 1 584 . 1 1 53 53 HIS HB2 H 1 3.096 0.030 . 2 . . . . 53 HIS HB2 . 11261 1 585 . 1 1 53 53 HIS HB3 H 1 3.038 0.030 . 2 . . . . 53 HIS HB3 . 11261 1 586 . 1 1 53 53 HIS HD2 H 1 7.118 0.030 . 1 . . . . 53 HIS HD2 . 11261 1 587 . 1 1 53 53 HIS HE1 H 1 7.779 0.030 . 1 . . . . 53 HIS HE1 . 11261 1 588 . 1 1 53 53 HIS C C 13 175.300 0.300 . 1 . . . . 53 HIS C . 11261 1 589 . 1 1 53 53 HIS CA C 13 55.279 0.300 . 1 . . . . 53 HIS CA . 11261 1 590 . 1 1 53 53 HIS CB C 13 32.107 0.300 . 1 . . . . 53 HIS CB . 11261 1 591 . 1 1 53 53 HIS CD2 C 13 118.889 0.300 . 1 . . . . 53 HIS CD2 . 11261 1 592 . 1 1 53 53 HIS CE1 C 13 138.661 0.300 . 1 . . . . 53 HIS CE1 . 11261 1 593 . 1 1 53 53 HIS N N 15 122.342 0.300 . 1 . . . . 53 HIS N . 11261 1 594 . 1 1 54 54 PRO HA H 1 3.985 0.030 . 1 . . . . 54 PRO HA . 11261 1 595 . 1 1 54 54 PRO HB2 H 1 2.166 0.030 . 2 . . . . 54 PRO HB2 . 11261 1 596 . 1 1 54 54 PRO HB3 H 1 1.990 0.030 . 2 . . . . 54 PRO HB3 . 11261 1 597 . 1 1 54 54 PRO HD2 H 1 2.600 0.030 . 2 . . . . 54 PRO HD2 . 11261 1 598 . 1 1 54 54 PRO HD3 H 1 3.684 0.030 . 2 . . . . 54 PRO HD3 . 11261 1 599 . 1 1 54 54 PRO HG2 H 1 2.060 0.030 . 2 . . . . 54 PRO HG2 . 11261 1 600 . 1 1 54 54 PRO HG3 H 1 1.751 0.030 . 2 . . . . 54 PRO HG3 . 11261 1 601 . 1 1 54 54 PRO C C 13 178.016 0.300 . 1 . . . . 54 PRO C . 11261 1 602 . 1 1 54 54 PRO CA C 13 66.398 0.300 . 1 . . . . 54 PRO CA . 11261 1 603 . 1 1 54 54 PRO CB C 13 32.291 0.300 . 1 . . . . 54 PRO CB . 11261 1 604 . 1 1 54 54 PRO CD C 13 50.305 0.300 . 1 . . . . 54 PRO CD . 11261 1 605 . 1 1 54 54 PRO CG C 13 27.970 0.300 . 1 . . . . 54 PRO CG . 11261 1 606 . 1 1 55 55 ASP H H 1 10.452 0.030 . 1 . . . . 55 ASP H . 11261 1 607 . 1 1 55 55 ASP HA H 1 4.520 0.030 . 1 . . . . 55 ASP HA . 11261 1 608 . 1 1 55 55 ASP HB2 H 1 2.731 0.030 . 2 . . . . 55 ASP HB2 . 11261 1 609 . 1 1 55 55 ASP HB3 H 1 2.840 0.030 . 2 . . . . 55 ASP HB3 . 11261 1 610 . 1 1 55 55 ASP C C 13 177.904 0.300 . 1 . . . . 55 ASP C . 11261 1 611 . 1 1 55 55 ASP CA C 13 56.394 0.300 . 1 . . . . 55 ASP CA . 11261 1 612 . 1 1 55 55 ASP CB C 13 40.164 0.300 . 1 . . . . 55 ASP CB . 11261 1 613 . 1 1 55 55 ASP N N 15 118.206 0.300 . 1 . . . . 55 ASP N . 11261 1 614 . 1 1 56 56 GLN H H 1 8.439 0.030 . 1 . . . . 56 GLN H . 11261 1 615 . 1 1 56 56 GLN HA H 1 4.343 0.030 . 1 . . . . 56 GLN HA . 11261 1 616 . 1 1 56 56 GLN HB2 H 1 2.515 0.030 . 2 . . . . 56 GLN HB2 . 11261 1 617 . 1 1 56 56 GLN HB3 H 1 2.310 0.030 . 2 . . . . 56 GLN HB3 . 11261 1 618 . 1 1 56 56 GLN HE21 H 1 7.735 0.030 . 2 . . . . 56 GLN HE21 . 11261 1 619 . 1 1 56 56 GLN HE22 H 1 6.957 0.030 . 2 . . . . 56 GLN HE22 . 11261 1 620 . 1 1 56 56 GLN HG2 H 1 2.480 0.030 . 2 . . . . 56 GLN HG2 . 11261 1 621 . 1 1 56 56 GLN HG3 H 1 2.346 0.030 . 2 . . . . 56 GLN HG3 . 11261 1 622 . 1 1 56 56 GLN C C 13 175.075 0.300 . 1 . . . . 56 GLN C . 11261 1 623 . 1 1 56 56 GLN CA C 13 55.834 0.300 . 1 . . . . 56 GLN CA . 11261 1 624 . 1 1 56 56 GLN CB C 13 30.805 0.300 . 1 . . . . 56 GLN CB . 11261 1 625 . 1 1 56 56 GLN CG C 13 35.739 0.300 . 1 . . . . 56 GLN CG . 11261 1 626 . 1 1 56 56 GLN N N 15 116.560 0.300 . 1 . . . . 56 GLN N . 11261 1 627 . 1 1 56 56 GLN NE2 N 15 111.471 0.300 . 1 . . . . 56 GLN NE2 . 11261 1 628 . 1 1 57 57 LEU H H 1 7.415 0.030 . 1 . . . . 57 LEU H . 11261 1 629 . 1 1 57 57 LEU HA H 1 4.595 0.030 . 1 . . . . 57 LEU HA . 11261 1 630 . 1 1 57 57 LEU HB2 H 1 1.926 0.030 . 2 . . . . 57 LEU HB2 . 11261 1 631 . 1 1 57 57 LEU HB3 H 1 0.951 0.030 . 2 . . . . 57 LEU HB3 . 11261 1 632 . 1 1 57 57 LEU HD11 H 1 0.730 0.030 . 1 . . . . 57 LEU HD1 . 11261 1 633 . 1 1 57 57 LEU HD12 H 1 0.730 0.030 . 1 . . . . 57 LEU HD1 . 11261 1 634 . 1 1 57 57 LEU HD13 H 1 0.730 0.030 . 1 . . . . 57 LEU HD1 . 11261 1 635 . 1 1 57 57 LEU HD21 H 1 0.610 0.030 . 1 . . . . 57 LEU HD2 . 11261 1 636 . 1 1 57 57 LEU HD22 H 1 0.610 0.030 . 1 . . . . 57 LEU HD2 . 11261 1 637 . 1 1 57 57 LEU HD23 H 1 0.610 0.030 . 1 . . . . 57 LEU HD2 . 11261 1 638 . 1 1 57 57 LEU HG H 1 2.061 0.030 . 1 . . . . 57 LEU HG . 11261 1 639 . 1 1 57 57 LEU C C 13 176.197 0.300 . 1 . . . . 57 LEU C . 11261 1 640 . 1 1 57 57 LEU CA C 13 54.768 0.300 . 1 . . . . 57 LEU CA . 11261 1 641 . 1 1 57 57 LEU CB C 13 41.901 0.300 . 1 . . . . 57 LEU CB . 11261 1 642 . 1 1 57 57 LEU CD1 C 13 26.865 0.300 . 2 . . . . 57 LEU CD1 . 11261 1 643 . 1 1 57 57 LEU CD2 C 13 22.917 0.300 . 2 . . . . 57 LEU CD2 . 11261 1 644 . 1 1 57 57 LEU CG C 13 25.383 0.300 . 1 . . . . 57 LEU CG . 11261 1 645 . 1 1 57 57 LEU N N 15 116.654 0.300 . 1 . . . . 57 LEU N . 11261 1 646 . 1 1 58 58 VAL H H 1 8.767 0.030 . 1 . . . . 58 VAL H . 11261 1 647 . 1 1 58 58 VAL HA H 1 4.057 0.030 . 1 . . . . 58 VAL HA . 11261 1 648 . 1 1 58 58 VAL HB H 1 2.085 0.030 . 1 . . . . 58 VAL HB . 11261 1 649 . 1 1 58 58 VAL HG11 H 1 0.912 0.030 . 1 . . . . 58 VAL HG1 . 11261 1 650 . 1 1 58 58 VAL HG12 H 1 0.912 0.030 . 1 . . . . 58 VAL HG1 . 11261 1 651 . 1 1 58 58 VAL HG13 H 1 0.912 0.030 . 1 . . . . 58 VAL HG1 . 11261 1 652 . 1 1 58 58 VAL HG21 H 1 0.855 0.030 . 1 . . . . 58 VAL HG2 . 11261 1 653 . 1 1 58 58 VAL HG22 H 1 0.855 0.030 . 1 . . . . 58 VAL HG2 . 11261 1 654 . 1 1 58 58 VAL HG23 H 1 0.855 0.030 . 1 . . . . 58 VAL HG2 . 11261 1 655 . 1 1 58 58 VAL C C 13 174.115 0.300 . 1 . . . . 58 VAL C . 11261 1 656 . 1 1 58 58 VAL CA C 13 62.138 0.300 . 1 . . . . 58 VAL CA . 11261 1 657 . 1 1 58 58 VAL CB C 13 34.048 0.300 . 1 . . . . 58 VAL CB . 11261 1 658 . 1 1 58 58 VAL CG1 C 13 21.210 0.300 . 2 . . . . 58 VAL CG1 . 11261 1 659 . 1 1 58 58 VAL CG2 C 13 20.756 0.300 . 2 . . . . 58 VAL CG2 . 11261 1 660 . 1 1 58 58 VAL N N 15 124.572 0.300 . 1 . . . . 58 VAL N . 11261 1 661 . 1 1 59 59 LEU H H 1 8.685 0.030 . 1 . . . . 59 LEU H . 11261 1 662 . 1 1 59 59 LEU HA H 1 5.332 0.030 . 1 . . . . 59 LEU HA . 11261 1 663 . 1 1 59 59 LEU HB2 H 1 1.572 0.030 . 2 . . . . 59 LEU HB2 . 11261 1 664 . 1 1 59 59 LEU HB3 H 1 1.176 0.030 . 2 . . . . 59 LEU HB3 . 11261 1 665 . 1 1 59 59 LEU HD11 H 1 0.735 0.030 . 1 . . . . 59 LEU HD1 . 11261 1 666 . 1 1 59 59 LEU HD12 H 1 0.735 0.030 . 1 . . . . 59 LEU HD1 . 11261 1 667 . 1 1 59 59 LEU HD13 H 1 0.735 0.030 . 1 . . . . 59 LEU HD1 . 11261 1 668 . 1 1 59 59 LEU HD21 H 1 0.726 0.030 . 1 . . . . 59 LEU HD2 . 11261 1 669 . 1 1 59 59 LEU HD22 H 1 0.726 0.030 . 1 . . . . 59 LEU HD2 . 11261 1 670 . 1 1 59 59 LEU HD23 H 1 0.726 0.030 . 1 . . . . 59 LEU HD2 . 11261 1 671 . 1 1 59 59 LEU HG H 1 1.391 0.030 . 1 . . . . 59 LEU HG . 11261 1 672 . 1 1 59 59 LEU C C 13 175.163 0.300 . 1 . . . . 59 LEU C . 11261 1 673 . 1 1 59 59 LEU CA C 13 53.197 0.300 . 1 . . . . 59 LEU CA . 11261 1 674 . 1 1 59 59 LEU CB C 13 44.576 0.300 . 1 . . . . 59 LEU CB . 11261 1 675 . 1 1 59 59 LEU CD1 C 13 26.885 0.300 . 2 . . . . 59 LEU CD1 . 11261 1 676 . 1 1 59 59 LEU CD2 C 13 25.069 0.300 . 2 . . . . 59 LEU CD2 . 11261 1 677 . 1 1 59 59 LEU CG C 13 27.793 0.300 . 1 . . . . 59 LEU CG . 11261 1 678 . 1 1 59 59 LEU N N 15 126.878 0.300 . 1 . . . . 59 LEU N . 11261 1 679 . 1 1 60 60 ILE H H 1 9.237 0.030 . 1 . . . . 60 ILE H . 11261 1 680 . 1 1 60 60 ILE HA H 1 4.956 0.030 . 1 . . . . 60 ILE HA . 11261 1 681 . 1 1 60 60 ILE HB H 1 1.597 0.030 . 1 . . . . 60 ILE HB . 11261 1 682 . 1 1 60 60 ILE HD11 H 1 0.703 0.030 . 1 . . . . 60 ILE HD1 . 11261 1 683 . 1 1 60 60 ILE HD12 H 1 0.703 0.030 . 1 . . . . 60 ILE HD1 . 11261 1 684 . 1 1 60 60 ILE HD13 H 1 0.703 0.030 . 1 . . . . 60 ILE HD1 . 11261 1 685 . 1 1 60 60 ILE HG12 H 1 0.786 0.030 . 2 . . . . 60 ILE HG12 . 11261 1 686 . 1 1 60 60 ILE HG13 H 1 1.410 0.030 . 2 . . . . 60 ILE HG13 . 11261 1 687 . 1 1 60 60 ILE HG21 H 1 0.671 0.030 . 1 . . . . 60 ILE HG2 . 11261 1 688 . 1 1 60 60 ILE HG22 H 1 0.671 0.030 . 1 . . . . 60 ILE HG2 . 11261 1 689 . 1 1 60 60 ILE HG23 H 1 0.671 0.030 . 1 . . . . 60 ILE HG2 . 11261 1 690 . 1 1 60 60 ILE C C 13 175.175 0.300 . 1 . . . . 60 ILE C . 11261 1 691 . 1 1 60 60 ILE CA C 13 60.108 0.300 . 1 . . . . 60 ILE CA . 11261 1 692 . 1 1 60 60 ILE CB C 13 41.605 0.300 . 1 . . . . 60 ILE CB . 11261 1 693 . 1 1 60 60 ILE CD1 C 13 14.239 0.300 . 1 . . . . 60 ILE CD1 . 11261 1 694 . 1 1 60 60 ILE CG1 C 13 28.516 0.300 . 1 . . . . 60 ILE CG1 . 11261 1 695 . 1 1 60 60 ILE CG2 C 13 17.681 0.300 . 1 . . . . 60 ILE CG2 . 11261 1 696 . 1 1 60 60 ILE N N 15 122.689 0.300 . 1 . . . . 60 ILE N . 11261 1 697 . 1 1 61 61 PHE H H 1 9.016 0.030 . 1 . . . . 61 PHE H . 11261 1 698 . 1 1 61 61 PHE HA H 1 5.189 0.030 . 1 . . . . 61 PHE HA . 11261 1 699 . 1 1 61 61 PHE HB2 H 1 2.938 0.030 . 2 . . . . 61 PHE HB2 . 11261 1 700 . 1 1 61 61 PHE HB3 H 1 3.097 0.030 . 2 . . . . 61 PHE HB3 . 11261 1 701 . 1 1 61 61 PHE HD1 H 1 7.451 0.030 . 1 . . . . 61 PHE HD1 . 11261 1 702 . 1 1 61 61 PHE HD2 H 1 7.451 0.030 . 1 . . . . 61 PHE HD2 . 11261 1 703 . 1 1 61 61 PHE HE1 H 1 7.314 0.030 . 1 . . . . 61 PHE HE1 . 11261 1 704 . 1 1 61 61 PHE HE2 H 1 7.314 0.030 . 1 . . . . 61 PHE HE2 . 11261 1 705 . 1 1 61 61 PHE HZ H 1 7.385 0.030 . 1 . . . . 61 PHE HZ . 11261 1 706 . 1 1 61 61 PHE C C 13 174.676 0.300 . 1 . . . . 61 PHE C . 11261 1 707 . 1 1 61 61 PHE CA C 13 56.701 0.300 . 1 . . . . 61 PHE CA . 11261 1 708 . 1 1 61 61 PHE CB C 13 44.023 0.300 . 1 . . . . 61 PHE CB . 11261 1 709 . 1 1 61 61 PHE CD1 C 13 132.390 0.300 . 1 . . . . 61 PHE CD1 . 11261 1 710 . 1 1 61 61 PHE CD2 C 13 132.390 0.300 . 1 . . . . 61 PHE CD2 . 11261 1 711 . 1 1 61 61 PHE CE1 C 13 130.284 0.300 . 1 . . . . 61 PHE CE1 . 11261 1 712 . 1 1 61 61 PHE CE2 C 13 130.284 0.300 . 1 . . . . 61 PHE CE2 . 11261 1 713 . 1 1 61 61 PHE CZ C 13 131.686 0.300 . 1 . . . . 61 PHE CZ . 11261 1 714 . 1 1 61 61 PHE N N 15 126.270 0.300 . 1 . . . . 61 PHE N . 11261 1 715 . 1 1 62 62 ALA H H 1 8.976 0.030 . 1 . . . . 62 ALA H . 11261 1 716 . 1 1 62 62 ALA HA H 1 3.708 0.030 . 1 . . . . 62 ALA HA . 11261 1 717 . 1 1 62 62 ALA HB1 H 1 0.934 0.030 . 1 . . . . 62 ALA HB . 11261 1 718 . 1 1 62 62 ALA HB2 H 1 0.934 0.030 . 1 . . . . 62 ALA HB . 11261 1 719 . 1 1 62 62 ALA HB3 H 1 0.934 0.030 . 1 . . . . 62 ALA HB . 11261 1 720 . 1 1 62 62 ALA C C 13 177.255 0.300 . 1 . . . . 62 ALA C . 11261 1 721 . 1 1 62 62 ALA CA C 13 52.510 0.300 . 1 . . . . 62 ALA CA . 11261 1 722 . 1 1 62 62 ALA CB C 13 16.625 0.300 . 1 . . . . 62 ALA CB . 11261 1 723 . 1 1 62 62 ALA N N 15 133.109 0.300 . 1 . . . . 62 ALA N . 11261 1 724 . 1 1 63 63 GLY H H 1 8.293 0.030 . 1 . . . . 63 GLY H . 11261 1 725 . 1 1 63 63 GLY HA2 H 1 3.419 0.030 . 2 . . . . 63 GLY HA2 . 11261 1 726 . 1 1 63 63 GLY HA3 H 1 4.059 0.030 . 2 . . . . 63 GLY HA3 . 11261 1 727 . 1 1 63 63 GLY C C 13 173.530 0.300 . 1 . . . . 63 GLY C . 11261 1 728 . 1 1 63 63 GLY CA C 13 45.356 0.300 . 1 . . . . 63 GLY CA . 11261 1 729 . 1 1 63 63 GLY N N 15 102.519 0.300 . 1 . . . . 63 GLY N . 11261 1 730 . 1 1 64 64 LYS H H 1 7.883 0.030 . 1 . . . . 64 LYS H . 11261 1 731 . 1 1 64 64 LYS HA H 1 4.632 0.030 . 1 . . . . 64 LYS HA . 11261 1 732 . 1 1 64 64 LYS HB2 H 1 1.867 0.030 . 1 . . . . 64 LYS HB2 . 11261 1 733 . 1 1 64 64 LYS HB3 H 1 1.867 0.030 . 1 . . . . 64 LYS HB3 . 11261 1 734 . 1 1 64 64 LYS HD2 H 1 1.755 0.030 . 1 . . . . 64 LYS HD2 . 11261 1 735 . 1 1 64 64 LYS HD3 H 1 1.755 0.030 . 1 . . . . 64 LYS HD3 . 11261 1 736 . 1 1 64 64 LYS HE2 H 1 3.083 0.030 . 1 . . . . 64 LYS HE2 . 11261 1 737 . 1 1 64 64 LYS HE3 H 1 3.083 0.030 . 1 . . . . 64 LYS HE3 . 11261 1 738 . 1 1 64 64 LYS HG2 H 1 1.450 0.030 . 1 . . . . 64 LYS HG2 . 11261 1 739 . 1 1 64 64 LYS HG3 H 1 1.450 0.030 . 1 . . . . 64 LYS HG3 . 11261 1 740 . 1 1 64 64 LYS C C 13 174.713 0.300 . 1 . . . . 64 LYS C . 11261 1 741 . 1 1 64 64 LYS CA C 13 54.732 0.300 . 1 . . . . 64 LYS CA . 11261 1 742 . 1 1 64 64 LYS CB C 13 34.768 0.300 . 1 . . . . 64 LYS CB . 11261 1 743 . 1 1 64 64 LYS CD C 13 29.168 0.300 . 1 . . . . 64 LYS CD . 11261 1 744 . 1 1 64 64 LYS CE C 13 42.246 0.300 . 1 . . . . 64 LYS CE . 11261 1 745 . 1 1 64 64 LYS CG C 13 24.644 0.300 . 1 . . . . 64 LYS CG . 11261 1 746 . 1 1 64 64 LYS N N 15 121.617 0.300 . 1 . . . . 64 LYS N . 11261 1 747 . 1 1 65 65 ILE H H 1 8.391 0.030 . 1 . . . . 65 ILE H . 11261 1 748 . 1 1 65 65 ILE HA H 1 4.291 0.030 . 1 . . . . 65 ILE HA . 11261 1 749 . 1 1 65 65 ILE HB H 1 1.707 0.030 . 1 . . . . 65 ILE HB . 11261 1 750 . 1 1 65 65 ILE HD11 H 1 0.851 0.030 . 1 . . . . 65 ILE HD1 . 11261 1 751 . 1 1 65 65 ILE HD12 H 1 0.851 0.030 . 1 . . . . 65 ILE HD1 . 11261 1 752 . 1 1 65 65 ILE HD13 H 1 0.851 0.030 . 1 . . . . 65 ILE HD1 . 11261 1 753 . 1 1 65 65 ILE HG12 H 1 0.922 0.030 . 2 . . . . 65 ILE HG12 . 11261 1 754 . 1 1 65 65 ILE HG13 H 1 1.629 0.030 . 2 . . . . 65 ILE HG13 . 11261 1 755 . 1 1 65 65 ILE HG21 H 1 0.920 0.030 . 1 . . . . 65 ILE HG2 . 11261 1 756 . 1 1 65 65 ILE HG22 H 1 0.920 0.030 . 1 . . . . 65 ILE HG2 . 11261 1 757 . 1 1 65 65 ILE HG23 H 1 0.920 0.030 . 1 . . . . 65 ILE HG2 . 11261 1 758 . 1 1 65 65 ILE C C 13 177.081 0.300 . 1 . . . . 65 ILE C . 11261 1 759 . 1 1 65 65 ILE CA C 13 61.975 0.300 . 1 . . . . 65 ILE CA . 11261 1 760 . 1 1 65 65 ILE CB C 13 38.009 0.300 . 1 . . . . 65 ILE CB . 11261 1 761 . 1 1 65 65 ILE CD1 C 13 13.332 0.300 . 1 . . . . 65 ILE CD1 . 11261 1 762 . 1 1 65 65 ILE CG1 C 13 28.750 0.300 . 1 . . . . 65 ILE CG1 . 11261 1 763 . 1 1 65 65 ILE CG2 C 13 17.883 0.300 . 1 . . . . 65 ILE CG2 . 11261 1 764 . 1 1 65 65 ILE N N 15 123.492 0.300 . 1 . . . . 65 ILE N . 11261 1 765 . 1 1 66 66 LEU H H 1 8.809 0.030 . 1 . . . . 66 LEU H . 11261 1 766 . 1 1 66 66 LEU HA H 1 4.474 0.030 . 1 . . . . 66 LEU HA . 11261 1 767 . 1 1 66 66 LEU HB2 H 1 1.656 0.030 . 2 . . . . 66 LEU HB2 . 11261 1 768 . 1 1 66 66 LEU HB3 H 1 1.532 0.030 . 2 . . . . 66 LEU HB3 . 11261 1 769 . 1 1 66 66 LEU HD11 H 1 0.816 0.030 . 1 . . . . 66 LEU HD1 . 11261 1 770 . 1 1 66 66 LEU HD12 H 1 0.816 0.030 . 1 . . . . 66 LEU HD1 . 11261 1 771 . 1 1 66 66 LEU HD13 H 1 0.816 0.030 . 1 . . . . 66 LEU HD1 . 11261 1 772 . 1 1 66 66 LEU HD21 H 1 1.043 0.030 . 1 . . . . 66 LEU HD2 . 11261 1 773 . 1 1 66 66 LEU HD22 H 1 1.043 0.030 . 1 . . . . 66 LEU HD2 . 11261 1 774 . 1 1 66 66 LEU HD23 H 1 1.043 0.030 . 1 . . . . 66 LEU HD2 . 11261 1 775 . 1 1 66 66 LEU HG H 1 1.864 0.030 . 1 . . . . 66 LEU HG . 11261 1 776 . 1 1 66 66 LEU C C 13 176.583 0.300 . 1 . . . . 66 LEU C . 11261 1 777 . 1 1 66 66 LEU CA C 13 54.334 0.300 . 1 . . . . 66 LEU CA . 11261 1 778 . 1 1 66 66 LEU CB C 13 41.869 0.300 . 1 . . . . 66 LEU CB . 11261 1 779 . 1 1 66 66 LEU CD1 C 13 25.296 0.300 . 2 . . . . 66 LEU CD1 . 11261 1 780 . 1 1 66 66 LEU CD2 C 13 21.962 0.300 . 2 . . . . 66 LEU CD2 . 11261 1 781 . 1 1 66 66 LEU CG C 13 26.311 0.300 . 1 . . . . 66 LEU CG . 11261 1 782 . 1 1 66 66 LEU N N 15 128.997 0.300 . 1 . . . . 66 LEU N . 11261 1 783 . 1 1 67 67 LYS H H 1 9.068 0.030 . 1 . . . . 67 LYS H . 11261 1 784 . 1 1 67 67 LYS HA H 1 4.428 0.030 . 1 . . . . 67 LYS HA . 11261 1 785 . 1 1 67 67 LYS HB2 H 1 1.763 0.030 . 2 . . . . 67 LYS HB2 . 11261 1 786 . 1 1 67 67 LYS HB3 H 1 1.897 0.030 . 2 . . . . 67 LYS HB3 . 11261 1 787 . 1 1 67 67 LYS HD2 H 1 1.733 0.030 . 1 . . . . 67 LYS HD2 . 11261 1 788 . 1 1 67 67 LYS HD3 H 1 1.733 0.030 . 1 . . . . 67 LYS HD3 . 11261 1 789 . 1 1 67 67 LYS HE2 H 1 3.072 0.030 . 1 . . . . 67 LYS HE2 . 11261 1 790 . 1 1 67 67 LYS HE3 H 1 3.072 0.030 . 1 . . . . 67 LYS HE3 . 11261 1 791 . 1 1 67 67 LYS HG2 H 1 1.560 0.030 . 2 . . . . 67 LYS HG2 . 11261 1 792 . 1 1 67 67 LYS HG3 H 1 1.446 0.030 . 2 . . . . 67 LYS HG3 . 11261 1 793 . 1 1 67 67 LYS C C 13 175.711 0.300 . 1 . . . . 67 LYS C . 11261 1 794 . 1 1 67 67 LYS CA C 13 55.780 0.300 . 1 . . . . 67 LYS CA . 11261 1 795 . 1 1 67 67 LYS CB C 13 33.469 0.300 . 1 . . . . 67 LYS CB . 11261 1 796 . 1 1 67 67 LYS CD C 13 28.921 0.300 . 1 . . . . 67 LYS CD . 11261 1 797 . 1 1 67 67 LYS CG C 13 24.850 0.300 . 1 . . . . 67 LYS CG . 11261 1 798 . 1 1 67 67 LYS N N 15 123.171 0.300 . 1 . . . . 67 LYS N . 11261 1 799 . 1 1 68 68 ASP H H 1 8.125 0.030 . 1 . . . . 68 ASP H . 11261 1 800 . 1 1 68 68 ASP HA H 1 4.481 0.030 . 1 . . . . 68 ASP HA . 11261 1 801 . 1 1 68 68 ASP HB2 H 1 2.592 0.030 . 2 . . . . 68 ASP HB2 . 11261 1 802 . 1 1 68 68 ASP HB3 H 1 2.708 0.030 . 2 . . . . 68 ASP HB3 . 11261 1 803 . 1 1 68 68 ASP C C 13 174.203 0.300 . 1 . . . . 68 ASP C . 11261 1 804 . 1 1 68 68 ASP CA C 13 58.346 0.300 . 1 . . . . 68 ASP CA . 11261 1 805 . 1 1 68 68 ASP CB C 13 39.141 0.300 . 1 . . . . 68 ASP CB . 11261 1 806 . 1 1 68 68 ASP N N 15 121.476 0.300 . 1 . . . . 68 ASP N . 11261 1 807 . 1 1 69 69 PRO HA H 1 4.640 0.030 . 1 . . . . 69 PRO HA . 11261 1 808 . 1 1 69 69 PRO HB2 H 1 1.951 0.030 . 2 . . . . 69 PRO HB2 . 11261 1 809 . 1 1 69 69 PRO HB3 H 1 2.286 0.030 . 2 . . . . 69 PRO HB3 . 11261 1 810 . 1 1 69 69 PRO HD2 H 1 3.458 0.030 . 2 . . . . 69 PRO HD2 . 11261 1 811 . 1 1 69 69 PRO HD3 H 1 3.686 0.030 . 2 . . . . 69 PRO HD3 . 11261 1 812 . 1 1 69 69 PRO HG2 H 1 1.937 0.030 . 1 . . . . 69 PRO HG2 . 11261 1 813 . 1 1 69 69 PRO HG3 H 1 1.937 0.030 . 1 . . . . 69 PRO HG3 . 11261 1 814 . 1 1 69 69 PRO C C 13 176.994 0.300 . 1 . . . . 69 PRO C . 11261 1 815 . 1 1 69 69 PRO CA C 13 64.167 0.300 . 1 . . . . 69 PRO CA . 11261 1 816 . 1 1 69 69 PRO CB C 13 31.697 0.300 . 1 . . . . 69 PRO CB . 11261 1 817 . 1 1 69 69 PRO CD C 13 49.774 0.300 . 1 . . . . 69 PRO CD . 11261 1 818 . 1 1 69 69 PRO CG C 13 27.441 0.300 . 1 . . . . 69 PRO CG . 11261 1 819 . 1 1 70 70 ASP H H 1 7.610 0.030 . 1 . . . . 70 ASP H . 11261 1 820 . 1 1 70 70 ASP HA H 1 4.618 0.030 . 1 . . . . 70 ASP HA . 11261 1 821 . 1 1 70 70 ASP HB2 H 1 2.783 0.030 . 2 . . . . 70 ASP HB2 . 11261 1 822 . 1 1 70 70 ASP HB3 H 1 2.501 0.030 . 2 . . . . 70 ASP HB3 . 11261 1 823 . 1 1 70 70 ASP C C 13 175.524 0.300 . 1 . . . . 70 ASP C . 11261 1 824 . 1 1 70 70 ASP CA C 13 54.583 0.300 . 1 . . . . 70 ASP CA . 11261 1 825 . 1 1 70 70 ASP CB C 13 41.176 0.300 . 1 . . . . 70 ASP CB . 11261 1 826 . 1 1 70 70 ASP N N 15 120.002 0.300 . 1 . . . . 70 ASP N . 11261 1 827 . 1 1 71 71 SER H H 1 8.659 0.030 . 1 . . . . 71 SER H . 11261 1 828 . 1 1 71 71 SER HA H 1 4.915 0.030 . 1 . . . . 71 SER HA . 11261 1 829 . 1 1 71 71 SER HB2 H 1 3.939 0.030 . 2 . . . . 71 SER HB2 . 11261 1 830 . 1 1 71 71 SER HB3 H 1 4.191 0.030 . 2 . . . . 71 SER HB3 . 11261 1 831 . 1 1 71 71 SER C C 13 176.446 0.300 . 1 . . . . 71 SER C . 11261 1 832 . 1 1 71 71 SER CA C 13 56.366 0.300 . 1 . . . . 71 SER CA . 11261 1 833 . 1 1 71 71 SER CB C 13 65.889 0.300 . 1 . . . . 71 SER CB . 11261 1 834 . 1 1 71 71 SER N N 15 114.808 0.300 . 1 . . . . 71 SER N . 11261 1 835 . 1 1 72 72 LEU H H 1 8.498 0.030 . 1 . . . . 72 LEU H . 11261 1 836 . 1 1 72 72 LEU HA H 1 3.718 0.030 . 1 . . . . 72 LEU HA . 11261 1 837 . 1 1 72 72 LEU HB2 H 1 1.249 0.030 . 2 . . . . 72 LEU HB2 . 11261 1 838 . 1 1 72 72 LEU HB3 H 1 1.803 0.030 . 2 . . . . 72 LEU HB3 . 11261 1 839 . 1 1 72 72 LEU HD11 H 1 0.809 0.030 . 1 . . . . 72 LEU HD1 . 11261 1 840 . 1 1 72 72 LEU HD12 H 1 0.809 0.030 . 1 . . . . 72 LEU HD1 . 11261 1 841 . 1 1 72 72 LEU HD13 H 1 0.809 0.030 . 1 . . . . 72 LEU HD1 . 11261 1 842 . 1 1 72 72 LEU HD21 H 1 0.581 0.030 . 1 . . . . 72 LEU HD2 . 11261 1 843 . 1 1 72 72 LEU HD22 H 1 0.581 0.030 . 1 . . . . 72 LEU HD2 . 11261 1 844 . 1 1 72 72 LEU HD23 H 1 0.581 0.030 . 1 . . . . 72 LEU HD2 . 11261 1 845 . 1 1 72 72 LEU HG H 1 1.728 0.030 . 1 . . . . 72 LEU HG . 11261 1 846 . 1 1 72 72 LEU C C 13 179.249 0.300 . 1 . . . . 72 LEU C . 11261 1 847 . 1 1 72 72 LEU CA C 13 59.103 0.300 . 1 . . . . 72 LEU CA . 11261 1 848 . 1 1 72 72 LEU CB C 13 40.380 0.300 . 1 . . . . 72 LEU CB . 11261 1 849 . 1 1 72 72 LEU CD1 C 13 26.897 0.300 . 2 . . . . 72 LEU CD1 . 11261 1 850 . 1 1 72 72 LEU CD2 C 13 23.081 0.300 . 2 . . . . 72 LEU CD2 . 11261 1 851 . 1 1 72 72 LEU CG C 13 27.112 0.300 . 1 . . . . 72 LEU CG . 11261 1 852 . 1 1 72 72 LEU N N 15 122.231 0.300 . 1 . . . . 72 LEU N . 11261 1 853 . 1 1 73 73 ALA H H 1 8.276 0.030 . 1 . . . . 73 ALA H . 11261 1 854 . 1 1 73 73 ALA HA H 1 4.141 0.030 . 1 . . . . 73 ALA HA . 11261 1 855 . 1 1 73 73 ALA HB1 H 1 1.328 0.030 . 1 . . . . 73 ALA HB . 11261 1 856 . 1 1 73 73 ALA HB2 H 1 1.328 0.030 . 1 . . . . 73 ALA HB . 11261 1 857 . 1 1 73 73 ALA HB3 H 1 1.328 0.030 . 1 . . . . 73 ALA HB . 11261 1 858 . 1 1 73 73 ALA C C 13 181.929 0.300 . 1 . . . . 73 ALA C . 11261 1 859 . 1 1 73 73 ALA CA C 13 55.117 0.300 . 1 . . . . 73 ALA CA . 11261 1 860 . 1 1 73 73 ALA CB C 13 18.164 0.300 . 1 . . . . 73 ALA CB . 11261 1 861 . 1 1 73 73 ALA N N 15 119.675 0.300 . 1 . . . . 73 ALA N . 11261 1 862 . 1 1 74 74 GLN H H 1 8.066 0.030 . 1 . . . . 74 GLN H . 11261 1 863 . 1 1 74 74 GLN HA H 1 4.058 0.030 . 1 . . . . 74 GLN HA . 11261 1 864 . 1 1 74 74 GLN HB2 H 1 2.174 0.030 . 2 . . . . 74 GLN HB2 . 11261 1 865 . 1 1 74 74 GLN HB3 H 1 2.392 0.030 . 2 . . . . 74 GLN HB3 . 11261 1 866 . 1 1 74 74 GLN HE21 H 1 7.498 0.030 . 2 . . . . 74 GLN HE21 . 11261 1 867 . 1 1 74 74 GLN HE22 H 1 6.804 0.030 . 2 . . . . 74 GLN HE22 . 11261 1 868 . 1 1 74 74 GLN HG2 H 1 2.459 0.030 . 2 . . . . 74 GLN HG2 . 11261 1 869 . 1 1 74 74 GLN HG3 H 1 2.575 0.030 . 2 . . . . 74 GLN HG3 . 11261 1 870 . 1 1 74 74 GLN C C 13 178.141 0.300 . 1 . . . . 74 GLN C . 11261 1 871 . 1 1 74 74 GLN CA C 13 58.417 0.300 . 1 . . . . 74 GLN CA . 11261 1 872 . 1 1 74 74 GLN CB C 13 28.702 0.300 . 1 . . . . 74 GLN CB . 11261 1 873 . 1 1 74 74 GLN CG C 13 34.021 0.300 . 1 . . . . 74 GLN CG . 11261 1 874 . 1 1 74 74 GLN N N 15 120.087 0.300 . 1 . . . . 74 GLN N . 11261 1 875 . 1 1 74 74 GLN NE2 N 15 111.423 0.300 . 1 . . . . 74 GLN NE2 . 11261 1 876 . 1 1 75 75 CYS H H 1 7.761 0.030 . 1 . . . . 75 CYS H . 11261 1 877 . 1 1 75 75 CYS HA H 1 4.402 0.030 . 1 . . . . 75 CYS HA . 11261 1 878 . 1 1 75 75 CYS HB2 H 1 3.105 0.030 . 2 . . . . 75 CYS HB2 . 11261 1 879 . 1 1 75 75 CYS HB3 H 1 2.899 0.030 . 2 . . . . 75 CYS HB3 . 11261 1 880 . 1 1 75 75 CYS C C 13 174.153 0.300 . 1 . . . . 75 CYS C . 11261 1 881 . 1 1 75 75 CYS CA C 13 60.729 0.300 . 1 . . . . 75 CYS CA . 11261 1 882 . 1 1 75 75 CYS CB C 13 28.247 0.300 . 1 . . . . 75 CYS CB . 11261 1 883 . 1 1 75 75 CYS N N 15 115.240 0.300 . 1 . . . . 75 CYS N . 11261 1 884 . 1 1 76 76 GLY H H 1 7.662 0.030 . 1 . . . . 76 GLY H . 11261 1 885 . 1 1 76 76 GLY HA2 H 1 4.315 0.030 . 2 . . . . 76 GLY HA2 . 11261 1 886 . 1 1 76 76 GLY HA3 H 1 3.645 0.030 . 2 . . . . 76 GLY HA3 . 11261 1 887 . 1 1 76 76 GLY C C 13 173.593 0.300 . 1 . . . . 76 GLY C . 11261 1 888 . 1 1 76 76 GLY CA C 13 45.129 0.300 . 1 . . . . 76 GLY CA . 11261 1 889 . 1 1 76 76 GLY N N 15 105.747 0.300 . 1 . . . . 76 GLY N . 11261 1 890 . 1 1 77 77 VAL H H 1 7.491 0.030 . 1 . . . . 77 VAL H . 11261 1 891 . 1 1 77 77 VAL HA H 1 3.048 0.030 . 1 . . . . 77 VAL HA . 11261 1 892 . 1 1 77 77 VAL HB H 1 1.536 0.030 . 1 . . . . 77 VAL HB . 11261 1 893 . 1 1 77 77 VAL HG11 H 1 0.493 0.030 . 1 . . . . 77 VAL HG1 . 11261 1 894 . 1 1 77 77 VAL HG12 H 1 0.493 0.030 . 1 . . . . 77 VAL HG1 . 11261 1 895 . 1 1 77 77 VAL HG13 H 1 0.493 0.030 . 1 . . . . 77 VAL HG1 . 11261 1 896 . 1 1 77 77 VAL HG21 H 1 -0.121 0.030 . 1 . . . . 77 VAL HG2 . 11261 1 897 . 1 1 77 77 VAL HG22 H 1 -0.121 0.030 . 1 . . . . 77 VAL HG2 . 11261 1 898 . 1 1 77 77 VAL HG23 H 1 -0.121 0.030 . 1 . . . . 77 VAL HG2 . 11261 1 899 . 1 1 77 77 VAL C C 13 173.642 0.300 . 1 . . . . 77 VAL C . 11261 1 900 . 1 1 77 77 VAL CA C 13 63.602 0.300 . 1 . . . . 77 VAL CA . 11261 1 901 . 1 1 77 77 VAL CB C 13 30.268 0.300 . 1 . . . . 77 VAL CB . 11261 1 902 . 1 1 77 77 VAL CG1 C 13 22.111 0.300 . 2 . . . . 77 VAL CG1 . 11261 1 903 . 1 1 77 77 VAL CG2 C 13 19.899 0.300 . 2 . . . . 77 VAL CG2 . 11261 1 904 . 1 1 77 77 VAL N N 15 120.504 0.300 . 1 . . . . 77 VAL N . 11261 1 905 . 1 1 78 78 ARG H H 1 6.081 0.030 . 1 . . . . 78 ARG H . 11261 1 906 . 1 1 78 78 ARG HA H 1 4.449 0.030 . 1 . . . . 78 ARG HA . 11261 1 907 . 1 1 78 78 ARG HB2 H 1 1.585 0.030 . 2 . . . . 78 ARG HB2 . 11261 1 908 . 1 1 78 78 ARG HB3 H 1 2.069 0.030 . 2 . . . . 78 ARG HB3 . 11261 1 909 . 1 1 78 78 ARG HD2 H 1 3.198 0.030 . 2 . . . . 78 ARG HD2 . 11261 1 910 . 1 1 78 78 ARG HD3 H 1 3.249 0.030 . 2 . . . . 78 ARG HD3 . 11261 1 911 . 1 1 78 78 ARG HG2 H 1 1.605 0.030 . 1 . . . . 78 ARG HG2 . 11261 1 912 . 1 1 78 78 ARG HG3 H 1 1.605 0.030 . 1 . . . . 78 ARG HG3 . 11261 1 913 . 1 1 78 78 ARG C C 13 173.970 0.300 . 1 . . . . 78 ARG C . 11261 1 914 . 1 1 78 78 ARG CA C 13 53.377 0.300 . 1 . . . . 78 ARG CA . 11261 1 915 . 1 1 78 78 ARG CB C 13 33.296 0.300 . 1 . . . . 78 ARG CB . 11261 1 916 . 1 1 78 78 ARG CD C 13 43.231 0.300 . 1 . . . . 78 ARG CD . 11261 1 917 . 1 1 78 78 ARG CG C 13 26.947 0.300 . 1 . . . . 78 ARG CG . 11261 1 918 . 1 1 78 78 ARG N N 15 123.082 0.300 . 1 . . . . 78 ARG N . 11261 1 919 . 1 1 79 79 ASP H H 1 8.349 0.030 . 1 . . . . 79 ASP H . 11261 1 920 . 1 1 79 79 ASP HA H 1 4.393 0.030 . 1 . . . . 79 ASP HA . 11261 1 921 . 1 1 79 79 ASP HB2 H 1 2.733 0.030 . 2 . . . . 79 ASP HB2 . 11261 1 922 . 1 1 79 79 ASP HB3 H 1 2.637 0.030 . 2 . . . . 79 ASP HB3 . 11261 1 923 . 1 1 79 79 ASP C C 13 177.156 0.300 . 1 . . . . 79 ASP C . 11261 1 924 . 1 1 79 79 ASP CA C 13 56.647 0.300 . 1 . . . . 79 ASP CA . 11261 1 925 . 1 1 79 79 ASP CB C 13 42.548 0.300 . 1 . . . . 79 ASP CB . 11261 1 926 . 1 1 79 79 ASP N N 15 116.743 0.300 . 1 . . . . 79 ASP N . 11261 1 927 . 1 1 80 80 GLY H H 1 9.420 0.030 . 1 . . . . 80 GLY H . 11261 1 928 . 1 1 80 80 GLY HA2 H 1 3.779 0.030 . 2 . . . . 80 GLY HA2 . 11261 1 929 . 1 1 80 80 GLY HA3 H 1 4.230 0.030 . 2 . . . . 80 GLY HA3 . 11261 1 930 . 1 1 80 80 GLY C C 13 174.963 0.300 . 1 . . . . 80 GLY C . 11261 1 931 . 1 1 80 80 GLY CA C 13 45.447 0.300 . 1 . . . . 80 GLY CA . 11261 1 932 . 1 1 80 80 GLY N N 15 113.107 0.300 . 1 . . . . 80 GLY N . 11261 1 933 . 1 1 81 81 LEU H H 1 7.824 0.030 . 1 . . . . 81 LEU H . 11261 1 934 . 1 1 81 81 LEU HA H 1 4.768 0.030 . 1 . . . . 81 LEU HA . 11261 1 935 . 1 1 81 81 LEU HB2 H 1 1.953 0.030 . 1 . . . . 81 LEU HB2 . 11261 1 936 . 1 1 81 81 LEU HB3 H 1 1.953 0.030 . 1 . . . . 81 LEU HB3 . 11261 1 937 . 1 1 81 81 LEU HD11 H 1 1.212 0.030 . 1 . . . . 81 LEU HD1 . 11261 1 938 . 1 1 81 81 LEU HD12 H 1 1.212 0.030 . 1 . . . . 81 LEU HD1 . 11261 1 939 . 1 1 81 81 LEU HD13 H 1 1.212 0.030 . 1 . . . . 81 LEU HD1 . 11261 1 940 . 1 1 81 81 LEU HD21 H 1 0.980 0.030 . 1 . . . . 81 LEU HD2 . 11261 1 941 . 1 1 81 81 LEU HD22 H 1 0.980 0.030 . 1 . . . . 81 LEU HD2 . 11261 1 942 . 1 1 81 81 LEU HD23 H 1 0.980 0.030 . 1 . . . . 81 LEU HD2 . 11261 1 943 . 1 1 81 81 LEU HG H 1 1.701 0.030 . 1 . . . . 81 LEU HG . 11261 1 944 . 1 1 81 81 LEU C C 13 174.926 0.300 . 1 . . . . 81 LEU C . 11261 1 945 . 1 1 81 81 LEU CA C 13 54.515 0.300 . 1 . . . . 81 LEU CA . 11261 1 946 . 1 1 81 81 LEU CB C 13 41.869 0.300 . 1 . . . . 81 LEU CB . 11261 1 947 . 1 1 81 81 LEU CD1 C 13 27.339 0.300 . 2 . . . . 81 LEU CD1 . 11261 1 948 . 1 1 81 81 LEU CD2 C 13 21.922 0.300 . 2 . . . . 81 LEU CD2 . 11261 1 949 . 1 1 81 81 LEU CG C 13 26.885 0.300 . 1 . . . . 81 LEU CG . 11261 1 950 . 1 1 81 81 LEU N N 15 119.995 0.300 . 1 . . . . 81 LEU N . 11261 1 951 . 1 1 82 82 THR H H 1 8.139 0.030 . 1 . . . . 82 THR H . 11261 1 952 . 1 1 82 82 THR HA H 1 5.316 0.030 . 1 . . . . 82 THR HA . 11261 1 953 . 1 1 82 82 THR HB H 1 3.948 0.030 . 1 . . . . 82 THR HB . 11261 1 954 . 1 1 82 82 THR HG21 H 1 0.755 0.030 . 1 . . . . 82 THR HG2 . 11261 1 955 . 1 1 82 82 THR HG22 H 1 0.755 0.030 . 1 . . . . 82 THR HG2 . 11261 1 956 . 1 1 82 82 THR HG23 H 1 0.755 0.030 . 1 . . . . 82 THR HG2 . 11261 1 957 . 1 1 82 82 THR C C 13 173.929 0.300 . 1 . . . . 82 THR C . 11261 1 958 . 1 1 82 82 THR CA C 13 61.975 0.300 . 1 . . . . 82 THR CA . 11261 1 959 . 1 1 82 82 THR CB C 13 71.282 0.300 . 1 . . . . 82 THR CB . 11261 1 960 . 1 1 82 82 THR CG2 C 13 21.601 0.300 . 1 . . . . 82 THR CG2 . 11261 1 961 . 1 1 82 82 THR N N 15 115.094 0.300 . 1 . . . . 82 THR N . 11261 1 962 . 1 1 83 83 VAL H H 1 9.330 0.030 . 1 . . . . 83 VAL H . 11261 1 963 . 1 1 83 83 VAL HA H 1 4.595 0.030 . 1 . . . . 83 VAL HA . 11261 1 964 . 1 1 83 83 VAL HB H 1 1.865 0.030 . 1 . . . . 83 VAL HB . 11261 1 965 . 1 1 83 83 VAL HG11 H 1 0.860 0.030 . 1 . . . . 83 VAL HG1 . 11261 1 966 . 1 1 83 83 VAL HG12 H 1 0.860 0.030 . 1 . . . . 83 VAL HG1 . 11261 1 967 . 1 1 83 83 VAL HG13 H 1 0.860 0.030 . 1 . . . . 83 VAL HG1 . 11261 1 968 . 1 1 83 83 VAL HG21 H 1 0.739 0.030 . 1 . . . . 83 VAL HG2 . 11261 1 969 . 1 1 83 83 VAL HG22 H 1 0.739 0.030 . 1 . . . . 83 VAL HG2 . 11261 1 970 . 1 1 83 83 VAL HG23 H 1 0.739 0.030 . 1 . . . . 83 VAL HG2 . 11261 1 971 . 1 1 83 83 VAL C C 13 173.891 0.300 . 1 . . . . 83 VAL C . 11261 1 972 . 1 1 83 83 VAL CA C 13 60.440 0.300 . 1 . . . . 83 VAL CA . 11261 1 973 . 1 1 83 83 VAL CB C 13 34.343 0.300 . 1 . . . . 83 VAL CB . 11261 1 974 . 1 1 83 83 VAL CG1 C 13 22.722 0.300 . 2 . . . . 83 VAL CG1 . 11261 1 975 . 1 1 83 83 VAL CG2 C 13 22.094 0.300 . 2 . . . . 83 VAL CG2 . 11261 1 976 . 1 1 83 83 VAL N N 15 124.509 0.300 . 1 . . . . 83 VAL N . 11261 1 977 . 1 1 84 84 HIS H H 1 9.077 0.030 . 1 . . . . 84 HIS H . 11261 1 978 . 1 1 84 84 HIS HA H 1 5.022 0.030 . 1 . . . . 84 HIS HA . 11261 1 979 . 1 1 84 84 HIS HB2 H 1 3.050 0.030 . 1 . . . . 84 HIS HB2 . 11261 1 980 . 1 1 84 84 HIS HB3 H 1 3.050 0.030 . 1 . . . . 84 HIS HB3 . 11261 1 981 . 1 1 84 84 HIS HD2 H 1 7.001 0.030 . 1 . . . . 84 HIS HD2 . 11261 1 982 . 1 1 84 84 HIS HE1 H 1 7.692 0.030 . 1 . . . . 84 HIS HE1 . 11261 1 983 . 1 1 84 84 HIS C C 13 173.766 0.300 . 1 . . . . 84 HIS C . 11261 1 984 . 1 1 84 84 HIS CA C 13 56.792 0.300 . 1 . . . . 84 HIS CA . 11261 1 985 . 1 1 84 84 HIS CB C 13 32.221 0.300 . 1 . . . . 84 HIS CB . 11261 1 986 . 1 1 84 84 HIS CD2 C 13 119.279 0.300 . 1 . . . . 84 HIS CD2 . 11261 1 987 . 1 1 84 84 HIS CE1 C 13 138.170 0.300 . 1 . . . . 84 HIS CE1 . 11261 1 988 . 1 1 84 84 HIS N N 15 125.529 0.300 . 1 . . . . 84 HIS N . 11261 1 989 . 1 1 85 85 LEU H H 1 8.479 0.030 . 1 . . . . 85 LEU H . 11261 1 990 . 1 1 85 85 LEU HA H 1 5.241 0.030 . 1 . . . . 85 LEU HA . 11261 1 991 . 1 1 85 85 LEU HB2 H 1 1.292 0.030 . 2 . . . . 85 LEU HB2 . 11261 1 992 . 1 1 85 85 LEU HB3 H 1 0.805 0.030 . 2 . . . . 85 LEU HB3 . 11261 1 993 . 1 1 85 85 LEU HD11 H 1 0.692 0.030 . 1 . . . . 85 LEU HD1 . 11261 1 994 . 1 1 85 85 LEU HD12 H 1 0.692 0.030 . 1 . . . . 85 LEU HD1 . 11261 1 995 . 1 1 85 85 LEU HD13 H 1 0.692 0.030 . 1 . . . . 85 LEU HD1 . 11261 1 996 . 1 1 85 85 LEU HD21 H 1 -0.122 0.030 . 1 . . . . 85 LEU HD2 . 11261 1 997 . 1 1 85 85 LEU HD22 H 1 -0.122 0.030 . 1 . . . . 85 LEU HD2 . 11261 1 998 . 1 1 85 85 LEU HD23 H 1 -0.122 0.030 . 1 . . . . 85 LEU HD2 . 11261 1 999 . 1 1 85 85 LEU HG H 1 0.980 0.030 . 1 . . . . 85 LEU HG . 11261 1 1000 . 1 1 85 85 LEU C C 13 175.461 0.300 . 1 . . . . 85 LEU C . 11261 1 1001 . 1 1 85 85 LEU CA C 13 53.034 0.300 . 1 . . . . 85 LEU CA . 11261 1 1002 . 1 1 85 85 LEU CB C 13 44.958 0.300 . 1 . . . . 85 LEU CB . 11261 1 1003 . 1 1 85 85 LEU CD1 C 13 24.615 0.300 . 2 . . . . 85 LEU CD1 . 11261 1 1004 . 1 1 85 85 LEU CD2 C 13 25.296 0.300 . 2 . . . . 85 LEU CD2 . 11261 1 1005 . 1 1 85 85 LEU CG C 13 27.247 0.300 . 1 . . . . 85 LEU CG . 11261 1 1006 . 1 1 85 85 LEU N N 15 123.592 0.300 . 1 . . . . 85 LEU N . 11261 1 1007 . 1 1 86 86 VAL H H 1 9.237 0.030 . 1 . . . . 86 VAL H . 11261 1 1008 . 1 1 86 86 VAL HA H 1 4.164 0.030 . 1 . . . . 86 VAL HA . 11261 1 1009 . 1 1 86 86 VAL HB H 1 1.865 0.030 . 1 . . . . 86 VAL HB . 11261 1 1010 . 1 1 86 86 VAL HG11 H 1 0.879 0.030 . 1 . . . . 86 VAL HG1 . 11261 1 1011 . 1 1 86 86 VAL HG12 H 1 0.879 0.030 . 1 . . . . 86 VAL HG1 . 11261 1 1012 . 1 1 86 86 VAL HG13 H 1 0.879 0.030 . 1 . . . . 86 VAL HG1 . 11261 1 1013 . 1 1 86 86 VAL HG21 H 1 0.845 0.030 . 1 . . . . 86 VAL HG2 . 11261 1 1014 . 1 1 86 86 VAL HG22 H 1 0.845 0.030 . 1 . . . . 86 VAL HG2 . 11261 1 1015 . 1 1 86 86 VAL HG23 H 1 0.845 0.030 . 1 . . . . 86 VAL HG2 . 11261 1 1016 . 1 1 86 86 VAL C C 13 173.954 0.300 . 1 . . . . 86 VAL C . 11261 1 1017 . 1 1 86 86 VAL CA C 13 61.524 0.300 . 1 . . . . 86 VAL CA . 11261 1 1018 . 1 1 86 86 VAL CB C 13 34.555 0.300 . 1 . . . . 86 VAL CB . 11261 1 1019 . 1 1 86 86 VAL CG1 C 13 21.437 0.300 . 2 . . . . 86 VAL CG1 . 11261 1 1020 . 1 1 86 86 VAL CG2 C 13 20.756 0.300 . 2 . . . . 86 VAL CG2 . 11261 1 1021 . 1 1 86 86 VAL N N 15 129.392 0.300 . 1 . . . . 86 VAL N . 11261 1 1022 . 1 1 87 87 ILE H H 1 8.194 0.030 . 1 . . . . 87 ILE H . 11261 1 1023 . 1 1 87 87 ILE HA H 1 4.535 0.030 . 1 . . . . 87 ILE HA . 11261 1 1024 . 1 1 87 87 ILE HB H 1 1.682 0.030 . 1 . . . . 87 ILE HB . 11261 1 1025 . 1 1 87 87 ILE HD11 H 1 0.743 0.030 . 1 . . . . 87 ILE HD1 . 11261 1 1026 . 1 1 87 87 ILE HD12 H 1 0.743 0.030 . 1 . . . . 87 ILE HD1 . 11261 1 1027 . 1 1 87 87 ILE HD13 H 1 0.743 0.030 . 1 . . . . 87 ILE HD1 . 11261 1 1028 . 1 1 87 87 ILE HG12 H 1 0.567 0.030 . 2 . . . . 87 ILE HG12 . 11261 1 1029 . 1 1 87 87 ILE HG13 H 1 1.391 0.030 . 2 . . . . 87 ILE HG13 . 11261 1 1030 . 1 1 87 87 ILE HG21 H 1 0.743 0.030 . 1 . . . . 87 ILE HG2 . 11261 1 1031 . 1 1 87 87 ILE HG22 H 1 0.743 0.030 . 1 . . . . 87 ILE HG2 . 11261 1 1032 . 1 1 87 87 ILE HG23 H 1 0.743 0.030 . 1 . . . . 87 ILE HG2 . 11261 1 1033 . 1 1 87 87 ILE C C 13 176.632 0.300 . 1 . . . . 87 ILE C . 11261 1 1034 . 1 1 87 87 ILE CA C 13 60.350 0.300 . 1 . . . . 87 ILE CA . 11261 1 1035 . 1 1 87 87 ILE CB C 13 38.335 0.300 . 1 . . . . 87 ILE CB . 11261 1 1036 . 1 1 87 87 ILE CD1 C 13 13.376 0.300 . 1 . . . . 87 ILE CD1 . 11261 1 1037 . 1 1 87 87 ILE CG1 C 13 27.597 0.300 . 1 . . . . 87 ILE CG1 . 11261 1 1038 . 1 1 87 87 ILE CG2 C 13 17.735 0.300 . 1 . . . . 87 ILE CG2 . 11261 1 1039 . 1 1 87 87 ILE N N 15 125.530 0.300 . 1 . . . . 87 ILE N . 11261 1 1040 . 1 1 88 88 LYS H H 1 9.417 0.030 . 1 . . . . 88 LYS H . 11261 1 1041 . 1 1 88 88 LYS HA H 1 4.315 0.030 . 1 . . . . 88 LYS HA . 11261 1 1042 . 1 1 88 88 LYS HB2 H 1 1.774 0.030 . 2 . . . . 88 LYS HB2 . 11261 1 1043 . 1 1 88 88 LYS HB3 H 1 1.829 0.030 . 2 . . . . 88 LYS HB3 . 11261 1 1044 . 1 1 88 88 LYS HD2 H 1 1.633 0.030 . 1 . . . . 88 LYS HD2 . 11261 1 1045 . 1 1 88 88 LYS HD3 H 1 1.633 0.030 . 1 . . . . 88 LYS HD3 . 11261 1 1046 . 1 1 88 88 LYS HE2 H 1 2.855 0.030 . 2 . . . . 88 LYS HE2 . 11261 1 1047 . 1 1 88 88 LYS HE3 H 1 2.921 0.030 . 2 . . . . 88 LYS HE3 . 11261 1 1048 . 1 1 88 88 LYS HG2 H 1 1.380 0.030 . 2 . . . . 88 LYS HG2 . 11261 1 1049 . 1 1 88 88 LYS HG3 H 1 1.446 0.030 . 2 . . . . 88 LYS HG3 . 11261 1 1050 . 1 1 88 88 LYS C C 13 175.947 0.300 . 1 . . . . 88 LYS C . 11261 1 1051 . 1 1 88 88 LYS CA C 13 56.412 0.300 . 1 . . . . 88 LYS CA . 11261 1 1052 . 1 1 88 88 LYS CB C 13 32.901 0.300 . 1 . . . . 88 LYS CB . 11261 1 1053 . 1 1 88 88 LYS CD C 13 29.332 0.300 . 1 . . . . 88 LYS CD . 11261 1 1054 . 1 1 88 88 LYS CE C 13 41.834 0.300 . 1 . . . . 88 LYS CE . 11261 1 1055 . 1 1 88 88 LYS CG C 13 24.842 0.300 . 1 . . . . 88 LYS CG . 11261 1 1056 . 1 1 88 88 LYS N N 15 129.667 0.300 . 1 . . . . 88 LYS N . 11261 1 1057 . 1 1 89 89 ARG H H 1 8.342 0.030 . 1 . . . . 89 ARG H . 11261 1 1058 . 1 1 89 89 ARG HA H 1 4.291 0.030 . 1 . . . . 89 ARG HA . 11261 1 1059 . 1 1 89 89 ARG HB2 H 1 1.781 0.030 . 2 . . . . 89 ARG HB2 . 11261 1 1060 . 1 1 89 89 ARG HB3 H 1 1.830 0.030 . 2 . . . . 89 ARG HB3 . 11261 1 1061 . 1 1 89 89 ARG HD2 H 1 3.220 0.030 . 1 . . . . 89 ARG HD2 . 11261 1 1062 . 1 1 89 89 ARG HD3 H 1 3.220 0.030 . 1 . . . . 89 ARG HD3 . 11261 1 1063 . 1 1 89 89 ARG HG2 H 1 1.605 0.030 . 2 . . . . 89 ARG HG2 . 11261 1 1064 . 1 1 89 89 ARG HG3 H 1 1.661 0.030 . 2 . . . . 89 ARG HG3 . 11261 1 1065 . 1 1 89 89 ARG C C 13 176.259 0.300 . 1 . . . . 89 ARG C . 11261 1 1066 . 1 1 89 89 ARG CA C 13 56.144 0.300 . 1 . . . . 89 ARG CA . 11261 1 1067 . 1 1 89 89 ARG CB C 13 30.971 0.300 . 1 . . . . 89 ARG CB . 11261 1 1068 . 1 1 89 89 ARG CD C 13 43.458 0.300 . 1 . . . . 89 ARG CD . 11261 1 1069 . 1 1 89 89 ARG CG C 13 27.423 0.300 . 1 . . . . 89 ARG CG . 11261 1 1070 . 1 1 89 89 ARG N N 15 121.376 0.300 . 1 . . . . 89 ARG N . 11261 1 1071 . 1 1 90 90 GLN H H 1 8.478 0.030 . 1 . . . . 90 GLN H . 11261 1 1072 . 1 1 90 90 GLN HA H 1 4.266 0.030 . 1 . . . . 90 GLN HA . 11261 1 1073 . 1 1 90 90 GLN HB2 H 1 1.938 0.030 . 2 . . . . 90 GLN HB2 . 11261 1 1074 . 1 1 90 90 GLN HB3 H 1 2.037 0.030 . 2 . . . . 90 GLN HB3 . 11261 1 1075 . 1 1 90 90 GLN HE21 H 1 6.851 0.030 . 2 . . . . 90 GLN HE21 . 11261 1 1076 . 1 1 90 90 GLN HE22 H 1 7.563 0.030 . 2 . . . . 90 GLN HE22 . 11261 1 1077 . 1 1 90 90 GLN HG2 H 1 2.279 0.030 . 1 . . . . 90 GLN HG2 . 11261 1 1078 . 1 1 90 90 GLN HG3 H 1 2.279 0.030 . 1 . . . . 90 GLN HG3 . 11261 1 1079 . 1 1 90 90 GLN C C 13 175.474 0.300 . 1 . . . . 90 GLN C . 11261 1 1080 . 1 1 90 90 GLN CA C 13 56.860 0.300 . 1 . . . . 90 GLN CA . 11261 1 1081 . 1 1 90 90 GLN CB C 13 30.097 0.300 . 1 . . . . 90 GLN CB . 11261 1 1082 . 1 1 90 90 GLN CG C 13 36.241 0.300 . 1 . . . . 90 GLN CG . 11261 1 1083 . 1 1 90 90 GLN N N 15 121.235 0.300 . 1 . . . . 90 GLN N . 11261 1 1084 . 1 1 90 90 GLN NE2 N 15 112.611 0.300 . 1 . . . . 90 GLN NE2 . 11261 1 1085 . 1 1 91 91 HIS HA H 1 4.606 0.030 . 1 . . . . 91 HIS HA . 11261 1 1086 . 1 1 91 91 HIS HB2 H 1 3.063 0.030 . 1 . . . . 91 HIS HB2 . 11261 1 1087 . 1 1 91 91 HIS HB3 H 1 3.063 0.030 . 1 . . . . 91 HIS HB3 . 11261 1 1088 . 1 1 91 91 HIS HD2 H 1 6.990 0.030 . 1 . . . . 91 HIS HD2 . 11261 1 1089 . 1 1 91 91 HIS HE1 H 1 7.795 0.030 . 1 . . . . 91 HIS HE1 . 11261 1 1090 . 1 1 91 91 HIS CA C 13 56.489 0.300 . 1 . . . . 91 HIS CA . 11261 1 1091 . 1 1 91 91 HIS CB C 13 31.293 0.300 . 1 . . . . 91 HIS CB . 11261 1 1092 . 1 1 91 91 HIS CD2 C 13 119.970 0.300 . 1 . . . . 91 HIS CD2 . 11261 1 1093 . 1 1 91 91 HIS CE1 C 13 138.501 0.300 . 1 . . . . 91 HIS CE1 . 11261 1 1094 . 1 1 92 92 ARG HA H 1 4.425 0.030 . 1 . . . . 92 ARG HA . 11261 1 1095 . 1 1 92 92 ARG HB2 H 1 2.316 0.030 . 2 . . . . 92 ARG HB2 . 11261 1 1096 . 1 1 92 92 ARG HB3 H 1 1.951 0.030 . 2 . . . . 92 ARG HB3 . 11261 1 1097 . 1 1 92 92 ARG HD2 H 1 3.766 0.030 . 1 . . . . 92 ARG HD2 . 11261 1 1098 . 1 1 92 92 ARG HD3 H 1 3.766 0.030 . 1 . . . . 92 ARG HD3 . 11261 1 1099 . 1 1 92 92 ARG HG2 H 1 1.738 0.030 . 1 . . . . 92 ARG HG2 . 11261 1 1100 . 1 1 92 92 ARG HG3 H 1 1.738 0.030 . 1 . . . . 92 ARG HG3 . 11261 1 1101 . 1 1 92 92 ARG C C 13 176.720 0.300 . 1 . . . . 92 ARG C . 11261 1 1102 . 1 1 92 92 ARG CA C 13 63.384 0.300 . 1 . . . . 92 ARG CA . 11261 1 1103 . 1 1 92 92 ARG CB C 13 32.206 0.300 . 1 . . . . 92 ARG CB . 11261 1 1104 . 1 1 92 92 ARG CD C 13 50.882 0.300 . 1 . . . . 92 ARG CD . 11261 1 1105 . 1 1 92 92 ARG CG C 13 27.441 0.300 . 1 . . . . 92 ARG CG . 11261 1 1106 . 1 1 93 93 ALA H H 1 8.474 0.030 . 1 . . . . 93 ALA H . 11261 1 1107 . 1 1 93 93 ALA HA H 1 4.345 0.030 . 1 . . . . 93 ALA HA . 11261 1 1108 . 1 1 93 93 ALA HB1 H 1 1.390 0.030 . 1 . . . . 93 ALA HB . 11261 1 1109 . 1 1 93 93 ALA HB2 H 1 1.390 0.030 . 1 . . . . 93 ALA HB . 11261 1 1110 . 1 1 93 93 ALA HB3 H 1 1.390 0.030 . 1 . . . . 93 ALA HB . 11261 1 1111 . 1 1 93 93 ALA C C 13 177.754 0.300 . 1 . . . . 93 ALA C . 11261 1 1112 . 1 1 93 93 ALA CA C 13 52.679 0.300 . 1 . . . . 93 ALA CA . 11261 1 1113 . 1 1 93 93 ALA CB C 13 19.313 0.300 . 1 . . . . 93 ALA CB . 11261 1 1114 . 1 1 93 93 ALA N N 15 124.490 0.300 . 1 . . . . 93 ALA N . 11261 1 1115 . 1 1 94 94 MET H H 1 8.424 0.030 . 1 . . . . 94 MET H . 11261 1 1116 . 1 1 94 94 MET HA H 1 4.510 0.030 . 1 . . . . 94 MET HA . 11261 1 1117 . 1 1 94 94 MET HB2 H 1 2.037 0.030 . 2 . . . . 94 MET HB2 . 11261 1 1118 . 1 1 94 94 MET HB3 H 1 2.129 0.030 . 2 . . . . 94 MET HB3 . 11261 1 1119 . 1 1 94 94 MET HE1 H 1 2.079 0.030 . 1 . . . . 94 MET HE . 11261 1 1120 . 1 1 94 94 MET HE2 H 1 2.079 0.030 . 1 . . . . 94 MET HE . 11261 1 1121 . 1 1 94 94 MET HE3 H 1 2.079 0.030 . 1 . . . . 94 MET HE . 11261 1 1122 . 1 1 94 94 MET HG2 H 1 2.524 0.030 . 2 . . . . 94 MET HG2 . 11261 1 1123 . 1 1 94 94 MET HG3 H 1 2.619 0.030 . 2 . . . . 94 MET HG3 . 11261 1 1124 . 1 1 94 94 MET C C 13 176.795 0.300 . 1 . . . . 94 MET C . 11261 1 1125 . 1 1 94 94 MET CA C 13 55.526 0.300 . 1 . . . . 94 MET CA . 11261 1 1126 . 1 1 94 94 MET CB C 13 32.935 0.300 . 1 . . . . 94 MET CB . 11261 1 1127 . 1 1 94 94 MET CE C 13 16.914 0.300 . 1 . . . . 94 MET CE . 11261 1 1128 . 1 1 94 94 MET CG C 13 32.129 0.300 . 1 . . . . 94 MET CG . 11261 1 1129 . 1 1 94 94 MET N N 15 119.717 0.300 . 1 . . . . 94 MET N . 11261 1 1130 . 1 1 95 95 GLY H H 1 8.448 0.030 . 1 . . . . 95 GLY H . 11261 1 1131 . 1 1 95 95 GLY HA2 H 1 3.974 0.030 . 1 . . . . 95 GLY HA2 . 11261 1 1132 . 1 1 95 95 GLY HA3 H 1 3.974 0.030 . 1 . . . . 95 GLY HA3 . 11261 1 1133 . 1 1 95 95 GLY C C 13 173.904 0.300 . 1 . . . . 95 GLY C . 11261 1 1134 . 1 1 95 95 GLY CA C 13 45.447 0.300 . 1 . . . . 95 GLY CA . 11261 1 1135 . 1 1 95 95 GLY N N 15 109.862 0.300 . 1 . . . . 95 GLY N . 11261 1 1136 . 1 1 96 96 ASN H H 1 8.356 0.030 . 1 . . . . 96 ASN H . 11261 1 1137 . 1 1 96 96 ASN HA H 1 4.717 0.030 . 1 . . . . 96 ASN HA . 11261 1 1138 . 1 1 96 96 ASN HB2 H 1 2.747 0.030 . 2 . . . . 96 ASN HB2 . 11261 1 1139 . 1 1 96 96 ASN HB3 H 1 2.818 0.030 . 2 . . . . 96 ASN HB3 . 11261 1 1140 . 1 1 96 96 ASN HD21 H 1 6.900 0.030 . 2 . . . . 96 ASN HD21 . 11261 1 1141 . 1 1 96 96 ASN HD22 H 1 7.576 0.030 . 2 . . . . 96 ASN HD22 . 11261 1 1142 . 1 1 96 96 ASN C C 13 175.193 0.300 . 1 . . . . 96 ASN C . 11261 1 1143 . 1 1 96 96 ASN CA C 13 53.197 0.300 . 1 . . . . 96 ASN CA . 11261 1 1144 . 1 1 96 96 ASN CB C 13 38.913 0.300 . 1 . . . . 96 ASN CB . 11261 1 1145 . 1 1 96 96 ASN N N 15 118.728 0.300 . 1 . . . . 96 ASN N . 11261 1 1146 . 1 1 96 96 ASN ND2 N 15 112.610 0.300 . 1 . . . . 96 ASN ND2 . 11261 1 1147 . 1 1 97 97 GLU H H 1 8.531 0.030 . 1 . . . . 97 GLU H . 11261 1 1148 . 1 1 97 97 GLU HA H 1 4.266 0.030 . 1 . . . . 97 GLU HA . 11261 1 1149 . 1 1 97 97 GLU HB2 H 1 1.938 0.030 . 2 . . . . 97 GLU HB2 . 11261 1 1150 . 1 1 97 97 GLU HB3 H 1 2.054 0.030 . 2 . . . . 97 GLU HB3 . 11261 1 1151 . 1 1 97 97 GLU HG2 H 1 2.266 0.030 . 1 . . . . 97 GLU HG2 . 11261 1 1152 . 1 1 97 97 GLU HG3 H 1 2.266 0.030 . 1 . . . . 97 GLU HG3 . 11261 1 1153 . 1 1 97 97 GLU C C 13 176.147 0.300 . 1 . . . . 97 GLU C . 11261 1 1154 . 1 1 97 97 GLU CA C 13 56.900 0.300 . 1 . . . . 97 GLU CA . 11261 1 1155 . 1 1 97 97 GLU CB C 13 30.183 0.300 . 1 . . . . 97 GLU CB . 11261 1 1156 . 1 1 97 97 GLU CG C 13 36.406 0.300 . 1 . . . . 97 GLU CG . 11261 1 1157 . 1 1 97 97 GLU N N 15 120.898 0.300 . 1 . . . . 97 GLU N . 11261 1 1158 . 1 1 98 98 CYS H H 1 8.399 0.030 . 1 . . . . 98 CYS H . 11261 1 1159 . 1 1 98 98 CYS HA H 1 4.759 0.030 . 1 . . . . 98 CYS HA . 11261 1 1160 . 1 1 98 98 CYS HB2 H 1 2.835 0.030 . 2 . . . . 98 CYS HB2 . 11261 1 1161 . 1 1 98 98 CYS HB3 H 1 2.925 0.030 . 2 . . . . 98 CYS HB3 . 11261 1 1162 . 1 1 98 98 CYS C C 13 172.733 0.300 . 1 . . . . 98 CYS C . 11261 1 1163 . 1 1 98 98 CYS CA C 13 56.575 0.300 . 1 . . . . 98 CYS CA . 11261 1 1164 . 1 1 98 98 CYS CB C 13 27.564 0.300 . 1 . . . . 98 CYS CB . 11261 1 1165 . 1 1 98 98 CYS N N 15 121.683 0.300 . 1 . . . . 98 CYS N . 11261 1 1166 . 1 1 99 99 PRO HA H 1 4.851 0.030 . 1 . . . . 99 PRO HA . 11261 1 1167 . 1 1 99 99 PRO HB2 H 1 2.133 0.030 . 2 . . . . 99 PRO HB2 . 11261 1 1168 . 1 1 99 99 PRO HB3 H 1 2.365 0.030 . 2 . . . . 99 PRO HB3 . 11261 1 1169 . 1 1 99 99 PRO HD2 H 1 3.558 0.030 . 1 . . . . 99 PRO HD2 . 11261 1 1170 . 1 1 99 99 PRO HD3 H 1 3.558 0.030 . 1 . . . . 99 PRO HD3 . 11261 1 1171 . 1 1 99 99 PRO HG2 H 1 1.857 0.030 . 2 . . . . 99 PRO HG2 . 11261 1 1172 . 1 1 99 99 PRO HG3 H 1 1.944 0.030 . 2 . . . . 99 PRO HG3 . 11261 1 1173 . 1 1 99 99 PRO C C 13 175.848 0.300 . 1 . . . . 99 PRO C . 11261 1 1174 . 1 1 99 99 PRO CA C 13 63.123 0.300 . 1 . . . . 99 PRO CA . 11261 1 1175 . 1 1 99 99 PRO CB C 13 34.574 0.300 . 1 . . . . 99 PRO CB . 11261 1 1176 . 1 1 99 99 PRO CD C 13 50.224 0.300 . 1 . . . . 99 PRO CD . 11261 1 1177 . 1 1 99 99 PRO CG C 13 24.785 0.300 . 1 . . . . 99 PRO CG . 11261 1 1178 . 1 1 100 100 ALA H H 1 8.608 0.030 . 1 . . . . 100 ALA H . 11261 1 1179 . 1 1 100 100 ALA HA H 1 4.281 0.030 . 1 . . . . 100 ALA HA . 11261 1 1180 . 1 1 100 100 ALA HB1 H 1 1.383 0.030 . 1 . . . . 100 ALA HB . 11261 1 1181 . 1 1 100 100 ALA HB2 H 1 1.383 0.030 . 1 . . . . 100 ALA HB . 11261 1 1182 . 1 1 100 100 ALA HB3 H 1 1.383 0.030 . 1 . . . . 100 ALA HB . 11261 1 1183 . 1 1 100 100 ALA C C 13 177.879 0.300 . 1 . . . . 100 ALA C . 11261 1 1184 . 1 1 100 100 ALA CA C 13 52.517 0.300 . 1 . . . . 100 ALA CA . 11261 1 1185 . 1 1 100 100 ALA CB C 13 19.313 0.300 . 1 . . . . 100 ALA CB . 11261 1 1186 . 1 1 100 100 ALA N N 15 124.669 0.300 . 1 . . . . 100 ALA N . 11261 1 1187 . 1 1 101 101 SER H H 1 8.248 0.030 . 1 . . . . 101 SER H . 11261 1 1188 . 1 1 101 101 SER C C 13 174.590 0.300 . 1 . . . . 101 SER C . 11261 1 1189 . 1 1 101 101 SER CA C 13 58.255 0.300 . 1 . . . . 101 SER CA . 11261 1 1190 . 1 1 101 101 SER CB C 13 64.149 0.300 . 1 . . . . 101 SER CB . 11261 1 1191 . 1 1 101 101 SER N N 15 127.281 0.300 . 1 . . . . 101 SER N . 11261 1 1192 . 1 1 102 102 GLY H H 1 8.194 0.030 . 1 . . . . 102 GLY H . 11261 1 1193 . 1 1 102 102 GLY C C 13 171.761 0.300 . 1 . . . . 102 GLY C . 11261 1 1194 . 1 1 102 102 GLY CA C 13 44.678 0.300 . 1 . . . . 102 GLY CA . 11261 1 1195 . 1 1 102 102 GLY N N 15 110.510 0.300 . 1 . . . . 102 GLY N . 11261 1 1196 . 1 1 103 103 PRO C C 13 177.393 0.300 . 1 . . . . 103 PRO C . 11261 1 1197 . 1 1 103 103 PRO CA C 13 63.267 0.300 . 1 . . . . 103 PRO CA . 11261 1 1198 . 1 1 103 103 PRO CB C 13 32.206 0.300 . 1 . . . . 103 PRO CB . 11261 1 1199 . 1 1 104 104 SER H H 1 8.522 0.030 . 1 . . . . 104 SER H . 11261 1 1200 . 1 1 104 104 SER C C 13 174.689 0.300 . 1 . . . . 104 SER C . 11261 1 1201 . 1 1 104 104 SER CA C 13 58.453 0.300 . 1 . . . . 104 SER CA . 11261 1 1202 . 1 1 104 104 SER CB C 13 63.913 0.300 . 1 . . . . 104 SER CB . 11261 1 1203 . 1 1 104 104 SER N N 15 116.378 0.300 . 1 . . . . 104 SER N . 11261 1 1204 . 1 1 105 105 SER H H 1 8.323 0.030 . 1 . . . . 105 SER H . 11261 1 1205 . 1 1 105 105 SER C C 13 173.929 0.300 . 1 . . . . 105 SER C . 11261 1 1206 . 1 1 105 105 SER CA C 13 58.373 0.300 . 1 . . . . 105 SER CA . 11261 1 1207 . 1 1 105 105 SER CB C 13 63.935 0.300 . 1 . . . . 105 SER CB . 11261 1 1208 . 1 1 105 105 SER N N 15 117.815 0.300 . 1 . . . . 105 SER N . 11261 1 1209 . 1 1 106 106 GLY H H 1 8.045 0.030 . 1 . . . . 106 GLY H . 11261 1 1210 . 1 1 106 106 GLY C C 13 178.963 0.300 . 1 . . . . 106 GLY C . 11261 1 1211 . 1 1 106 106 GLY CA C 13 46.165 0.300 . 1 . . . . 106 GLY CA . 11261 1 1212 . 1 1 106 106 GLY N N 15 116.862 0.300 . 1 . . . . 106 GLY N . 11261 1 stop_ save_