data_11231 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11231 _Entry.Title ; Solution structure of the PKD domain from KIAA 1837 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _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 X. Qin . . . 11231 2 F. Hayashi . . . 11231 3 S. Yokoyama . . . 11231 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)' . 11231 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11231 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 401 11231 '15N chemical shifts' 98 11231 '1H chemical shifts' 645 11231 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 . . 2011-08-03 2010-07-23 original author . 11231 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YRL 'BMRB Entry Tracking System' 11231 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11231 _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 PKD domain from KIAA 1837 protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 X. Qin . . . 11231 1 2 F. Hayashi . . . 11231 1 3 S. Yokoyama . . . 11231 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11231 _Assembly.ID 1 _Assembly.Name 'KIAA1837 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PKD domain' 1 $entity_1 A . yes native no no . . . 11231 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 2yrl . . . . . . 11231 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11231 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PKD domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGQADAGPDKELTLP VDSTTLDGSKSSDDQKIISY LWEKTQGPDGVQLENANSSV ATVTGLQVGTYVFTLTVKDE RNLQSQSSVNVIVKEESGPS SG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2YRL . "Solution Structure Of The Pkd Domain From Kiaa 1837 Protein" . . . . . 100.00 102 100.00 100.00 1.57e-63 . . . . 11231 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PKD domain' . 11231 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 . 11231 1 2 . SER . 11231 1 3 . SER . 11231 1 4 . GLY . 11231 1 5 . SER . 11231 1 6 . SER . 11231 1 7 . GLY . 11231 1 8 . GLN . 11231 1 9 . ALA . 11231 1 10 . ASP . 11231 1 11 . ALA . 11231 1 12 . GLY . 11231 1 13 . PRO . 11231 1 14 . ASP . 11231 1 15 . LYS . 11231 1 16 . GLU . 11231 1 17 . LEU . 11231 1 18 . THR . 11231 1 19 . LEU . 11231 1 20 . PRO . 11231 1 21 . VAL . 11231 1 22 . ASP . 11231 1 23 . SER . 11231 1 24 . THR . 11231 1 25 . THR . 11231 1 26 . LEU . 11231 1 27 . ASP . 11231 1 28 . GLY . 11231 1 29 . SER . 11231 1 30 . LYS . 11231 1 31 . SER . 11231 1 32 . SER . 11231 1 33 . ASP . 11231 1 34 . ASP . 11231 1 35 . GLN . 11231 1 36 . LYS . 11231 1 37 . ILE . 11231 1 38 . ILE . 11231 1 39 . SER . 11231 1 40 . TYR . 11231 1 41 . LEU . 11231 1 42 . TRP . 11231 1 43 . GLU . 11231 1 44 . LYS . 11231 1 45 . THR . 11231 1 46 . GLN . 11231 1 47 . GLY . 11231 1 48 . PRO . 11231 1 49 . ASP . 11231 1 50 . GLY . 11231 1 51 . VAL . 11231 1 52 . GLN . 11231 1 53 . LEU . 11231 1 54 . GLU . 11231 1 55 . ASN . 11231 1 56 . ALA . 11231 1 57 . ASN . 11231 1 58 . SER . 11231 1 59 . SER . 11231 1 60 . VAL . 11231 1 61 . ALA . 11231 1 62 . THR . 11231 1 63 . VAL . 11231 1 64 . THR . 11231 1 65 . GLY . 11231 1 66 . LEU . 11231 1 67 . GLN . 11231 1 68 . VAL . 11231 1 69 . GLY . 11231 1 70 . THR . 11231 1 71 . TYR . 11231 1 72 . VAL . 11231 1 73 . PHE . 11231 1 74 . THR . 11231 1 75 . LEU . 11231 1 76 . THR . 11231 1 77 . VAL . 11231 1 78 . LYS . 11231 1 79 . ASP . 11231 1 80 . GLU . 11231 1 81 . ARG . 11231 1 82 . ASN . 11231 1 83 . LEU . 11231 1 84 . GLN . 11231 1 85 . SER . 11231 1 86 . GLN . 11231 1 87 . SER . 11231 1 88 . SER . 11231 1 89 . VAL . 11231 1 90 . ASN . 11231 1 91 . VAL . 11231 1 92 . ILE . 11231 1 93 . VAL . 11231 1 94 . LYS . 11231 1 95 . GLU . 11231 1 96 . GLU . 11231 1 97 . SER . 11231 1 98 . GLY . 11231 1 99 . PRO . 11231 1 100 . SER . 11231 1 101 . SER . 11231 1 102 . GLY . 11231 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 11231 1 . SER 2 2 11231 1 . SER 3 3 11231 1 . GLY 4 4 11231 1 . SER 5 5 11231 1 . SER 6 6 11231 1 . GLY 7 7 11231 1 . GLN 8 8 11231 1 . ALA 9 9 11231 1 . ASP 10 10 11231 1 . ALA 11 11 11231 1 . GLY 12 12 11231 1 . PRO 13 13 11231 1 . ASP 14 14 11231 1 . LYS 15 15 11231 1 . GLU 16 16 11231 1 . LEU 17 17 11231 1 . THR 18 18 11231 1 . LEU 19 19 11231 1 . PRO 20 20 11231 1 . VAL 21 21 11231 1 . ASP 22 22 11231 1 . SER 23 23 11231 1 . THR 24 24 11231 1 . THR 25 25 11231 1 . LEU 26 26 11231 1 . ASP 27 27 11231 1 . GLY 28 28 11231 1 . SER 29 29 11231 1 . LYS 30 30 11231 1 . SER 31 31 11231 1 . SER 32 32 11231 1 . ASP 33 33 11231 1 . ASP 34 34 11231 1 . GLN 35 35 11231 1 . LYS 36 36 11231 1 . ILE 37 37 11231 1 . ILE 38 38 11231 1 . SER 39 39 11231 1 . TYR 40 40 11231 1 . LEU 41 41 11231 1 . TRP 42 42 11231 1 . GLU 43 43 11231 1 . LYS 44 44 11231 1 . THR 45 45 11231 1 . GLN 46 46 11231 1 . GLY 47 47 11231 1 . PRO 48 48 11231 1 . ASP 49 49 11231 1 . GLY 50 50 11231 1 . VAL 51 51 11231 1 . GLN 52 52 11231 1 . LEU 53 53 11231 1 . GLU 54 54 11231 1 . ASN 55 55 11231 1 . ALA 56 56 11231 1 . ASN 57 57 11231 1 . SER 58 58 11231 1 . SER 59 59 11231 1 . VAL 60 60 11231 1 . ALA 61 61 11231 1 . THR 62 62 11231 1 . VAL 63 63 11231 1 . THR 64 64 11231 1 . GLY 65 65 11231 1 . LEU 66 66 11231 1 . GLN 67 67 11231 1 . VAL 68 68 11231 1 . GLY 69 69 11231 1 . THR 70 70 11231 1 . TYR 71 71 11231 1 . VAL 72 72 11231 1 . PHE 73 73 11231 1 . THR 74 74 11231 1 . LEU 75 75 11231 1 . THR 76 76 11231 1 . VAL 77 77 11231 1 . LYS 78 78 11231 1 . ASP 79 79 11231 1 . GLU 80 80 11231 1 . ARG 81 81 11231 1 . ASN 82 82 11231 1 . LEU 83 83 11231 1 . GLN 84 84 11231 1 . SER 85 85 11231 1 . GLN 86 86 11231 1 . SER 87 87 11231 1 . SER 88 88 11231 1 . VAL 89 89 11231 1 . ASN 90 90 11231 1 . VAL 91 91 11231 1 . ILE 92 92 11231 1 . VAL 93 93 11231 1 . LYS 94 94 11231 1 . GLU 95 95 11231 1 . GLU 96 96 11231 1 . SER 97 97 11231 1 . GLY 98 98 11231 1 . PRO 99 99 11231 1 . SER 100 100 11231 1 . SER 101 101 11231 1 . GLY 102 102 11231 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 11231 _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 . . . . . . . . . . . . . . . . . . . . . 11231 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 11231 _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 . . . . . . . . . . . . . . . . P051025-02 . . . . . . 11231 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11231 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.13mM 13C, 15N-labeled {protein;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PKD domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.13 . . mM . . . . 11231 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11231 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11231 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11231 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11231 1 6 H2O . . . . . . solvent 90 . . % . . . . 11231 1 7 D2O . . . . . . solvent 10 . . % . . . . 11231 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 11231 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11231 1 pH 7.0 0.05 pH 11231 1 pressure 1 0.001 atm 11231 1 temperature 298 0.1 K 11231 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11231 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11231 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11231 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11231 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11231 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11231 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11231 _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.' . . 11231 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11231 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11231 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11231 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11231 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11231 _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.' . . 11231 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11231 5 'structure solution' 11231 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 11231 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11231 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11231 _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 Varian INOVA . 800 . . . 11231 1 2 spectrometer_2 Varian INOVA . 900 . . . 11231 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 11231 _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 . . . . . . . . . . . . . . . . 11231 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11231 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 11231 _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 . . . . . . . . . 11231 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11231 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11231 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 11231 _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 11231 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11231 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 $VNMR . . 11231 1 2 $NMRPipe . . 11231 1 3 $NMRVIEW . . 11231 1 4 $Kujira . . 11231 1 5 $CYANA . . 11231 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.545 0.030 . 1 . . . . 6 SER HA . 11231 1 2 . 1 1 6 6 SER HB2 H 1 3.925 0.030 . 1 . . . . 6 SER HB2 . 11231 1 3 . 1 1 6 6 SER HB3 H 1 3.925 0.030 . 1 . . . . 6 SER HB3 . 11231 1 4 . 1 1 6 6 SER C C 13 174.896 0.300 . 1 . . . . 6 SER C . 11231 1 5 . 1 1 6 6 SER CA C 13 58.577 0.300 . 1 . . . . 6 SER CA . 11231 1 6 . 1 1 6 6 SER CB C 13 63.974 0.300 . 1 . . . . 6 SER CB . 11231 1 7 . 1 1 7 7 GLY H H 1 8.571 0.030 . 1 . . . . 7 GLY H . 11231 1 8 . 1 1 7 7 GLY HA2 H 1 4.032 0.030 . 2 . . . . 7 GLY HA2 . 11231 1 9 . 1 1 7 7 GLY HA3 H 1 3.920 0.030 . 2 . . . . 7 GLY HA3 . 11231 1 10 . 1 1 7 7 GLY C C 13 173.503 0.300 . 1 . . . . 7 GLY C . 11231 1 11 . 1 1 7 7 GLY CA C 13 45.484 0.300 . 1 . . . . 7 GLY CA . 11231 1 12 . 1 1 7 7 GLY N N 15 111.157 0.300 . 1 . . . . 7 GLY N . 11231 1 13 . 1 1 8 8 GLN H H 1 8.027 0.030 . 1 . . . . 8 GLN H . 11231 1 14 . 1 1 8 8 GLN HA H 1 4.276 0.030 . 1 . . . . 8 GLN HA . 11231 1 15 . 1 1 8 8 GLN HB2 H 1 2.043 0.030 . 2 . . . . 8 GLN HB2 . 11231 1 16 . 1 1 8 8 GLN HB3 H 1 1.900 0.030 . 2 . . . . 8 GLN HB3 . 11231 1 17 . 1 1 8 8 GLN HE21 H 1 7.584 0.030 . 2 . . . . 8 GLN HE21 . 11231 1 18 . 1 1 8 8 GLN HE22 H 1 6.888 0.030 . 2 . . . . 8 GLN HE22 . 11231 1 19 . 1 1 8 8 GLN HG2 H 1 2.307 0.030 . 2 . . . . 8 GLN HG2 . 11231 1 20 . 1 1 8 8 GLN HG3 H 1 2.270 0.030 . 2 . . . . 8 GLN HG3 . 11231 1 21 . 1 1 8 8 GLN C C 13 175.534 0.300 . 1 . . . . 8 GLN C . 11231 1 22 . 1 1 8 8 GLN CA C 13 55.826 0.300 . 1 . . . . 8 GLN CA . 11231 1 23 . 1 1 8 8 GLN CB C 13 30.221 0.300 . 1 . . . . 8 GLN CB . 11231 1 24 . 1 1 8 8 GLN CG C 13 33.862 0.300 . 1 . . . . 8 GLN CG . 11231 1 25 . 1 1 8 8 GLN N N 15 119.542 0.300 . 1 . . . . 8 GLN N . 11231 1 26 . 1 1 8 8 GLN NE2 N 15 112.538 0.300 . 1 . . . . 8 GLN NE2 . 11231 1 27 . 1 1 9 9 ALA H H 1 8.067 0.030 . 1 . . . . 9 ALA H . 11231 1 28 . 1 1 9 9 ALA HA H 1 3.900 0.030 . 1 . . . . 9 ALA HA . 11231 1 29 . 1 1 9 9 ALA HB1 H 1 1.028 0.030 . 1 . . . . 9 ALA HB . 11231 1 30 . 1 1 9 9 ALA HB2 H 1 1.028 0.030 . 1 . . . . 9 ALA HB . 11231 1 31 . 1 1 9 9 ALA HB3 H 1 1.028 0.030 . 1 . . . . 9 ALA HB . 11231 1 32 . 1 1 9 9 ALA C C 13 176.507 0.300 . 1 . . . . 9 ALA C . 11231 1 33 . 1 1 9 9 ALA CA C 13 52.497 0.300 . 1 . . . . 9 ALA CA . 11231 1 34 . 1 1 9 9 ALA CB C 13 19.264 0.300 . 1 . . . . 9 ALA CB . 11231 1 35 . 1 1 9 9 ALA N N 15 121.662 0.300 . 1 . . . . 9 ALA N . 11231 1 36 . 1 1 10 10 ASP H H 1 8.476 0.030 . 1 . . . . 10 ASP H . 11231 1 37 . 1 1 10 10 ASP HA H 1 4.582 0.030 . 1 . . . . 10 ASP HA . 11231 1 38 . 1 1 10 10 ASP HB2 H 1 2.565 0.030 . 2 . . . . 10 ASP HB2 . 11231 1 39 . 1 1 10 10 ASP HB3 H 1 2.427 0.030 . 2 . . . . 10 ASP HB3 . 11231 1 40 . 1 1 10 10 ASP C C 13 174.395 0.300 . 1 . . . . 10 ASP C . 11231 1 41 . 1 1 10 10 ASP CA C 13 54.004 0.300 . 1 . . . . 10 ASP CA . 11231 1 42 . 1 1 10 10 ASP CB C 13 42.836 0.300 . 1 . . . . 10 ASP CB . 11231 1 43 . 1 1 10 10 ASP N N 15 122.631 0.300 . 1 . . . . 10 ASP N . 11231 1 44 . 1 1 11 11 ALA H H 1 8.343 0.030 . 1 . . . . 11 ALA H . 11231 1 45 . 1 1 11 11 ALA HA H 1 4.414 0.030 . 1 . . . . 11 ALA HA . 11231 1 46 . 1 1 11 11 ALA HB1 H 1 1.395 0.030 . 1 . . . . 11 ALA HB . 11231 1 47 . 1 1 11 11 ALA HB2 H 1 1.395 0.030 . 1 . . . . 11 ALA HB . 11231 1 48 . 1 1 11 11 ALA HB3 H 1 1.395 0.030 . 1 . . . . 11 ALA HB . 11231 1 49 . 1 1 11 11 ALA C C 13 175.699 0.300 . 1 . . . . 11 ALA C . 11231 1 50 . 1 1 11 11 ALA CA C 13 51.896 0.300 . 1 . . . . 11 ALA CA . 11231 1 51 . 1 1 11 11 ALA CB C 13 18.864 0.300 . 1 . . . . 11 ALA CB . 11231 1 52 . 1 1 11 11 ALA N N 15 125.022 0.300 . 1 . . . . 11 ALA N . 11231 1 53 . 1 1 12 12 GLY H H 1 8.128 0.030 . 1 . . . . 12 GLY H . 11231 1 54 . 1 1 12 12 GLY HA2 H 1 3.970 0.030 . 2 . . . . 12 GLY HA2 . 11231 1 55 . 1 1 12 12 GLY HA3 H 1 4.493 0.030 . 2 . . . . 12 GLY HA3 . 11231 1 56 . 1 1 12 12 GLY C C 13 171.827 0.300 . 1 . . . . 12 GLY C . 11231 1 57 . 1 1 12 12 GLY CA C 13 44.957 0.300 . 1 . . . . 12 GLY CA . 11231 1 58 . 1 1 12 12 GLY N N 15 104.236 0.300 . 1 . . . . 12 GLY N . 11231 1 59 . 1 1 13 13 PRO HA H 1 4.603 0.030 . 1 . . . . 13 PRO HA . 11231 1 60 . 1 1 13 13 PRO HB2 H 1 2.299 0.030 . 2 . . . . 13 PRO HB2 . 11231 1 61 . 1 1 13 13 PRO HB3 H 1 2.058 0.030 . 2 . . . . 13 PRO HB3 . 11231 1 62 . 1 1 13 13 PRO HD2 H 1 3.628 0.030 . 2 . . . . 13 PRO HD2 . 11231 1 63 . 1 1 13 13 PRO HD3 H 1 3.811 0.030 . 2 . . . . 13 PRO HD3 . 11231 1 64 . 1 1 13 13 PRO HG2 H 1 2.046 0.030 . 2 . . . . 13 PRO HG2 . 11231 1 65 . 1 1 13 13 PRO HG3 H 1 2.087 0.030 . 2 . . . . 13 PRO HG3 . 11231 1 66 . 1 1 13 13 PRO C C 13 176.309 0.300 . 1 . . . . 13 PRO C . 11231 1 67 . 1 1 13 13 PRO CA C 13 62.400 0.300 . 1 . . . . 13 PRO CA . 11231 1 68 . 1 1 13 13 PRO CB C 13 32.376 0.300 . 1 . . . . 13 PRO CB . 11231 1 69 . 1 1 13 13 PRO CD C 13 49.693 0.300 . 1 . . . . 13 PRO CD . 11231 1 70 . 1 1 13 13 PRO CG C 13 27.129 0.300 . 1 . . . . 13 PRO CG . 11231 1 71 . 1 1 14 14 ASP H H 1 8.152 0.030 . 1 . . . . 14 ASP H . 11231 1 72 . 1 1 14 14 ASP HA H 1 4.987 0.030 . 1 . . . . 14 ASP HA . 11231 1 73 . 1 1 14 14 ASP HB2 H 1 2.587 0.030 . 2 . . . . 14 ASP HB2 . 11231 1 74 . 1 1 14 14 ASP HB3 H 1 2.889 0.030 . 2 . . . . 14 ASP HB3 . 11231 1 75 . 1 1 14 14 ASP C C 13 176.984 0.300 . 1 . . . . 14 ASP C . 11231 1 76 . 1 1 14 14 ASP CA C 13 54.968 0.300 . 1 . . . . 14 ASP CA . 11231 1 77 . 1 1 14 14 ASP CB C 13 41.344 0.300 . 1 . . . . 14 ASP CB . 11231 1 78 . 1 1 14 14 ASP N N 15 119.330 0.300 . 1 . . . . 14 ASP N . 11231 1 79 . 1 1 15 15 LYS H H 1 8.560 0.030 . 1 . . . . 15 LYS H . 11231 1 80 . 1 1 15 15 LYS HA H 1 4.842 0.030 . 1 . . . . 15 LYS HA . 11231 1 81 . 1 1 15 15 LYS HB2 H 1 1.749 0.030 . 1 . . . . 15 LYS HB2 . 11231 1 82 . 1 1 15 15 LYS HB3 H 1 1.749 0.030 . 1 . . . . 15 LYS HB3 . 11231 1 83 . 1 1 15 15 LYS HD2 H 1 1.611 0.030 . 2 . . . . 15 LYS HD2 . 11231 1 84 . 1 1 15 15 LYS HD3 H 1 1.672 0.030 . 2 . . . . 15 LYS HD3 . 11231 1 85 . 1 1 15 15 LYS HE2 H 1 3.007 0.030 . 2 . . . . 15 LYS HE2 . 11231 1 86 . 1 1 15 15 LYS HE3 H 1 3.087 0.030 . 2 . . . . 15 LYS HE3 . 11231 1 87 . 1 1 15 15 LYS HG2 H 1 1.547 0.030 . 2 . . . . 15 LYS HG2 . 11231 1 88 . 1 1 15 15 LYS HG3 H 1 1.492 0.030 . 2 . . . . 15 LYS HG3 . 11231 1 89 . 1 1 15 15 LYS C C 13 175.027 0.300 . 1 . . . . 15 LYS C . 11231 1 90 . 1 1 15 15 LYS CA C 13 54.634 0.300 . 1 . . . . 15 LYS CA . 11231 1 91 . 1 1 15 15 LYS CB C 13 36.679 0.300 . 1 . . . . 15 LYS CB . 11231 1 92 . 1 1 15 15 LYS CD C 13 29.359 0.300 . 1 . . . . 15 LYS CD . 11231 1 93 . 1 1 15 15 LYS CE C 13 42.304 0.300 . 1 . . . . 15 LYS CE . 11231 1 94 . 1 1 15 15 LYS CG C 13 24.339 0.300 . 1 . . . . 15 LYS CG . 11231 1 95 . 1 1 15 15 LYS N N 15 118.262 0.300 . 1 . . . . 15 LYS N . 11231 1 96 . 1 1 16 16 GLU H H 1 8.533 0.030 . 1 . . . . 16 GLU H . 11231 1 97 . 1 1 16 16 GLU HA H 1 5.318 0.030 . 1 . . . . 16 GLU HA . 11231 1 98 . 1 1 16 16 GLU HB2 H 1 1.966 0.030 . 2 . . . . 16 GLU HB2 . 11231 1 99 . 1 1 16 16 GLU HB3 H 1 1.929 0.030 . 2 . . . . 16 GLU HB3 . 11231 1 100 . 1 1 16 16 GLU HG2 H 1 2.159 0.030 . 2 . . . . 16 GLU HG2 . 11231 1 101 . 1 1 16 16 GLU HG3 H 1 2.040 0.030 . 2 . . . . 16 GLU HG3 . 11231 1 102 . 1 1 16 16 GLU C C 13 174.684 0.300 . 1 . . . . 16 GLU C . 11231 1 103 . 1 1 16 16 GLU CA C 13 55.089 0.300 . 1 . . . . 16 GLU CA . 11231 1 104 . 1 1 16 16 GLU CB C 13 32.037 0.300 . 1 . . . . 16 GLU CB . 11231 1 105 . 1 1 16 16 GLU CG C 13 36.753 0.300 . 1 . . . . 16 GLU CG . 11231 1 106 . 1 1 16 16 GLU N N 15 123.501 0.300 . 1 . . . . 16 GLU N . 11231 1 107 . 1 1 17 17 LEU H H 1 9.478 0.030 . 1 . . . . 17 LEU H . 11231 1 108 . 1 1 17 17 LEU HA H 1 4.810 0.030 . 1 . . . . 17 LEU HA . 11231 1 109 . 1 1 17 17 LEU HB2 H 1 1.590 0.030 . 1 . . . . 17 LEU HB2 . 11231 1 110 . 1 1 17 17 LEU HB3 H 1 1.590 0.030 . 1 . . . . 17 LEU HB3 . 11231 1 111 . 1 1 17 17 LEU HD11 H 1 0.619 0.030 . 1 . . . . 17 LEU HD1 . 11231 1 112 . 1 1 17 17 LEU HD12 H 1 0.619 0.030 . 1 . . . . 17 LEU HD1 . 11231 1 113 . 1 1 17 17 LEU HD13 H 1 0.619 0.030 . 1 . . . . 17 LEU HD1 . 11231 1 114 . 1 1 17 17 LEU HD21 H 1 0.802 0.030 . 1 . . . . 17 LEU HD2 . 11231 1 115 . 1 1 17 17 LEU HD22 H 1 0.802 0.030 . 1 . . . . 17 LEU HD2 . 11231 1 116 . 1 1 17 17 LEU HD23 H 1 0.802 0.030 . 1 . . . . 17 LEU HD2 . 11231 1 117 . 1 1 17 17 LEU HG H 1 1.497 0.030 . 1 . . . . 17 LEU HG . 11231 1 118 . 1 1 17 17 LEU C C 13 175.405 0.300 . 1 . . . . 17 LEU C . 11231 1 119 . 1 1 17 17 LEU CA C 13 53.466 0.300 . 1 . . . . 17 LEU CA . 11231 1 120 . 1 1 17 17 LEU CB C 13 45.201 0.300 . 1 . . . . 17 LEU CB . 11231 1 121 . 1 1 17 17 LEU CD1 C 13 25.815 0.300 . 2 . . . . 17 LEU CD1 . 11231 1 122 . 1 1 17 17 LEU CD2 C 13 23.934 0.300 . 2 . . . . 17 LEU CD2 . 11231 1 123 . 1 1 17 17 LEU CG C 13 27.476 0.300 . 1 . . . . 17 LEU CG . 11231 1 124 . 1 1 17 17 LEU N N 15 127.144 0.300 . 1 . . . . 17 LEU N . 11231 1 125 . 1 1 18 18 THR H H 1 8.318 0.030 . 1 . . . . 18 THR H . 11231 1 126 . 1 1 18 18 THR HA H 1 4.869 0.030 . 1 . . . . 18 THR HA . 11231 1 127 . 1 1 18 18 THR HB H 1 3.867 0.030 . 1 . . . . 18 THR HB . 11231 1 128 . 1 1 18 18 THR HG21 H 1 1.288 0.030 . 1 . . . . 18 THR HG2 . 11231 1 129 . 1 1 18 18 THR HG22 H 1 1.288 0.030 . 1 . . . . 18 THR HG2 . 11231 1 130 . 1 1 18 18 THR HG23 H 1 1.288 0.030 . 1 . . . . 18 THR HG2 . 11231 1 131 . 1 1 18 18 THR C C 13 174.360 0.300 . 1 . . . . 18 THR C . 11231 1 132 . 1 1 18 18 THR CA C 13 60.742 0.300 . 1 . . . . 18 THR CA . 11231 1 133 . 1 1 18 18 THR CB C 13 70.520 0.300 . 1 . . . . 18 THR CB . 11231 1 134 . 1 1 18 18 THR CG2 C 13 21.367 0.300 . 1 . . . . 18 THR CG2 . 11231 1 135 . 1 1 18 18 THR N N 15 116.403 0.300 . 1 . . . . 18 THR N . 11231 1 136 . 1 1 19 19 LEU H H 1 8.534 0.030 . 1 . . . . 19 LEU H . 11231 1 137 . 1 1 19 19 LEU HA H 1 4.130 0.030 . 1 . . . . 19 LEU HA . 11231 1 138 . 1 1 19 19 LEU HB2 H 1 1.697 0.030 . 2 . . . . 19 LEU HB2 . 11231 1 139 . 1 1 19 19 LEU HB3 H 1 1.458 0.030 . 2 . . . . 19 LEU HB3 . 11231 1 140 . 1 1 19 19 LEU HD11 H 1 0.742 0.030 . 1 . . . . 19 LEU HD1 . 11231 1 141 . 1 1 19 19 LEU HD12 H 1 0.742 0.030 . 1 . . . . 19 LEU HD1 . 11231 1 142 . 1 1 19 19 LEU HD13 H 1 0.742 0.030 . 1 . . . . 19 LEU HD1 . 11231 1 143 . 1 1 19 19 LEU HD21 H 1 0.900 0.030 . 1 . . . . 19 LEU HD2 . 11231 1 144 . 1 1 19 19 LEU HD22 H 1 0.900 0.030 . 1 . . . . 19 LEU HD2 . 11231 1 145 . 1 1 19 19 LEU HD23 H 1 0.900 0.030 . 1 . . . . 19 LEU HD2 . 11231 1 146 . 1 1 19 19 LEU HG H 1 1.579 0.030 . 1 . . . . 19 LEU HG . 11231 1 147 . 1 1 19 19 LEU C C 13 175.285 0.300 . 1 . . . . 19 LEU C . 11231 1 148 . 1 1 19 19 LEU CA C 13 54.807 0.300 . 1 . . . . 19 LEU CA . 11231 1 149 . 1 1 19 19 LEU CB C 13 40.381 0.300 . 1 . . . . 19 LEU CB . 11231 1 150 . 1 1 19 19 LEU CD1 C 13 22.452 0.300 . 2 . . . . 19 LEU CD1 . 11231 1 151 . 1 1 19 19 LEU CD2 C 13 26.698 0.300 . 2 . . . . 19 LEU CD2 . 11231 1 152 . 1 1 19 19 LEU CG C 13 26.883 0.300 . 1 . . . . 19 LEU CG . 11231 1 153 . 1 1 19 19 LEU N N 15 127.514 0.300 . 1 . . . . 19 LEU N . 11231 1 154 . 1 1 20 20 PRO HA H 1 4.368 0.030 . 1 . . . . 20 PRO HA . 11231 1 155 . 1 1 20 20 PRO HB2 H 1 2.259 0.030 . 1 . . . . 20 PRO HB2 . 11231 1 156 . 1 1 20 20 PRO HB3 H 1 2.259 0.030 . 1 . . . . 20 PRO HB3 . 11231 1 157 . 1 1 20 20 PRO HD2 H 1 3.568 0.030 . 2 . . . . 20 PRO HD2 . 11231 1 158 . 1 1 20 20 PRO HD3 H 1 3.508 0.030 . 2 . . . . 20 PRO HD3 . 11231 1 159 . 1 1 20 20 PRO HG2 H 1 1.953 0.030 . 2 . . . . 20 PRO HG2 . 11231 1 160 . 1 1 20 20 PRO HG3 H 1 1.798 0.030 . 2 . . . . 20 PRO HG3 . 11231 1 161 . 1 1 20 20 PRO C C 13 176.404 0.300 . 1 . . . . 20 PRO C . 11231 1 162 . 1 1 20 20 PRO CA C 13 62.994 0.300 . 1 . . . . 20 PRO CA . 11231 1 163 . 1 1 20 20 PRO CB C 13 34.241 0.300 . 1 . . . . 20 PRO CB . 11231 1 164 . 1 1 20 20 PRO CD C 13 50.541 0.300 . 1 . . . . 20 PRO CD . 11231 1 165 . 1 1 20 20 PRO CG C 13 24.550 0.300 . 1 . . . . 20 PRO CG . 11231 1 166 . 1 1 21 21 VAL H H 1 8.427 0.030 . 1 . . . . 21 VAL H . 11231 1 167 . 1 1 21 21 VAL HA H 1 3.937 0.030 . 1 . . . . 21 VAL HA . 11231 1 168 . 1 1 21 21 VAL HB H 1 2.185 0.030 . 1 . . . . 21 VAL HB . 11231 1 169 . 1 1 21 21 VAL HG11 H 1 1.015 0.030 . 1 . . . . 21 VAL HG1 . 11231 1 170 . 1 1 21 21 VAL HG12 H 1 1.015 0.030 . 1 . . . . 21 VAL HG1 . 11231 1 171 . 1 1 21 21 VAL HG13 H 1 1.015 0.030 . 1 . . . . 21 VAL HG1 . 11231 1 172 . 1 1 21 21 VAL HG21 H 1 1.017 0.030 . 1 . . . . 21 VAL HG2 . 11231 1 173 . 1 1 21 21 VAL HG22 H 1 1.017 0.030 . 1 . . . . 21 VAL HG2 . 11231 1 174 . 1 1 21 21 VAL HG23 H 1 1.017 0.030 . 1 . . . . 21 VAL HG2 . 11231 1 175 . 1 1 21 21 VAL C C 13 173.842 0.300 . 1 . . . . 21 VAL C . 11231 1 176 . 1 1 21 21 VAL CA C 13 64.409 0.300 . 1 . . . . 21 VAL CA . 11231 1 177 . 1 1 21 21 VAL CB C 13 31.499 0.300 . 1 . . . . 21 VAL CB . 11231 1 178 . 1 1 21 21 VAL CG1 C 13 21.748 0.300 . 2 . . . . 21 VAL CG1 . 11231 1 179 . 1 1 21 21 VAL CG2 C 13 21.845 0.300 . 2 . . . . 21 VAL CG2 . 11231 1 180 . 1 1 21 21 VAL N N 15 127.139 0.300 . 1 . . . . 21 VAL N . 11231 1 181 . 1 1 22 22 ASP H H 1 8.018 0.030 . 1 . . . . 22 ASP H . 11231 1 182 . 1 1 22 22 ASP HA H 1 4.495 0.030 . 1 . . . . 22 ASP HA . 11231 1 183 . 1 1 22 22 ASP HB2 H 1 2.316 0.030 . 2 . . . . 22 ASP HB2 . 11231 1 184 . 1 1 22 22 ASP HB3 H 1 3.091 0.030 . 2 . . . . 22 ASP HB3 . 11231 1 185 . 1 1 22 22 ASP C C 13 175.380 0.300 . 1 . . . . 22 ASP C . 11231 1 186 . 1 1 22 22 ASP CA C 13 53.258 0.300 . 1 . . . . 22 ASP CA . 11231 1 187 . 1 1 22 22 ASP CB C 13 41.367 0.300 . 1 . . . . 22 ASP CB . 11231 1 188 . 1 1 22 22 ASP N N 15 124.673 0.300 . 1 . . . . 22 ASP N . 11231 1 189 . 1 1 23 23 SER H H 1 7.471 0.030 . 1 . . . . 23 SER H . 11231 1 190 . 1 1 23 23 SER HA H 1 5.147 0.030 . 1 . . . . 23 SER HA . 11231 1 191 . 1 1 23 23 SER HB2 H 1 3.760 0.030 . 1 . . . . 23 SER HB2 . 11231 1 192 . 1 1 23 23 SER HB3 H 1 3.760 0.030 . 1 . . . . 23 SER HB3 . 11231 1 193 . 1 1 23 23 SER C C 13 172.939 0.300 . 1 . . . . 23 SER C . 11231 1 194 . 1 1 23 23 SER CA C 13 55.851 0.300 . 1 . . . . 23 SER CA . 11231 1 195 . 1 1 23 23 SER CB C 13 66.351 0.300 . 1 . . . . 23 SER CB . 11231 1 196 . 1 1 23 23 SER N N 15 110.372 0.300 . 1 . . . . 23 SER N . 11231 1 197 . 1 1 24 24 THR H H 1 8.305 0.030 . 1 . . . . 24 THR H . 11231 1 198 . 1 1 24 24 THR HA H 1 4.525 0.030 . 1 . . . . 24 THR HA . 11231 1 199 . 1 1 24 24 THR HB H 1 3.966 0.030 . 1 . . . . 24 THR HB . 11231 1 200 . 1 1 24 24 THR HG21 H 1 0.583 0.030 . 1 . . . . 24 THR HG2 . 11231 1 201 . 1 1 24 24 THR HG22 H 1 0.583 0.030 . 1 . . . . 24 THR HG2 . 11231 1 202 . 1 1 24 24 THR HG23 H 1 0.583 0.030 . 1 . . . . 24 THR HG2 . 11231 1 203 . 1 1 24 24 THR C C 13 171.682 0.300 . 1 . . . . 24 THR C . 11231 1 204 . 1 1 24 24 THR CA C 13 61.029 0.300 . 1 . . . . 24 THR CA . 11231 1 205 . 1 1 24 24 THR CB C 13 68.940 0.300 . 1 . . . . 24 THR CB . 11231 1 206 . 1 1 24 24 THR CG2 C 13 17.410 0.300 . 1 . . . . 24 THR CG2 . 11231 1 207 . 1 1 24 24 THR N N 15 114.087 0.300 . 1 . . . . 24 THR N . 11231 1 208 . 1 1 25 25 THR H H 1 7.847 0.030 . 1 . . . . 25 THR H . 11231 1 209 . 1 1 25 25 THR HA H 1 4.875 0.030 . 1 . . . . 25 THR HA . 11231 1 210 . 1 1 25 25 THR HB H 1 3.792 0.030 . 1 . . . . 25 THR HB . 11231 1 211 . 1 1 25 25 THR HG21 H 1 0.991 0.030 . 1 . . . . 25 THR HG2 . 11231 1 212 . 1 1 25 25 THR HG22 H 1 0.991 0.030 . 1 . . . . 25 THR HG2 . 11231 1 213 . 1 1 25 25 THR HG23 H 1 0.991 0.030 . 1 . . . . 25 THR HG2 . 11231 1 214 . 1 1 25 25 THR C C 13 173.159 0.300 . 1 . . . . 25 THR C . 11231 1 215 . 1 1 25 25 THR CA C 13 59.982 0.300 . 1 . . . . 25 THR CA . 11231 1 216 . 1 1 25 25 THR CB C 13 71.254 0.300 . 1 . . . . 25 THR CB . 11231 1 217 . 1 1 25 25 THR CG2 C 13 22.053 0.300 . 1 . . . . 25 THR CG2 . 11231 1 218 . 1 1 25 25 THR N N 15 114.660 0.300 . 1 . . . . 25 THR N . 11231 1 219 . 1 1 26 26 LEU H H 1 8.402 0.030 . 1 . . . . 26 LEU H . 11231 1 220 . 1 1 26 26 LEU HA H 1 4.192 0.030 . 1 . . . . 26 LEU HA . 11231 1 221 . 1 1 26 26 LEU HB2 H 1 -0.244 0.030 . 2 . . . . 26 LEU HB2 . 11231 1 222 . 1 1 26 26 LEU HB3 H 1 0.074 0.030 . 2 . . . . 26 LEU HB3 . 11231 1 223 . 1 1 26 26 LEU HD11 H 1 -0.499 0.030 . 1 . . . . 26 LEU HD1 . 11231 1 224 . 1 1 26 26 LEU HD12 H 1 -0.499 0.030 . 1 . . . . 26 LEU HD1 . 11231 1 225 . 1 1 26 26 LEU HD13 H 1 -0.499 0.030 . 1 . . . . 26 LEU HD1 . 11231 1 226 . 1 1 26 26 LEU HD21 H 1 0.137 0.030 . 1 . . . . 26 LEU HD2 . 11231 1 227 . 1 1 26 26 LEU HD22 H 1 0.137 0.030 . 1 . . . . 26 LEU HD2 . 11231 1 228 . 1 1 26 26 LEU HD23 H 1 0.137 0.030 . 1 . . . . 26 LEU HD2 . 11231 1 229 . 1 1 26 26 LEU HG H 1 0.525 0.030 . 1 . . . . 26 LEU HG . 11231 1 230 . 1 1 26 26 LEU C C 13 173.582 0.300 . 1 . . . . 26 LEU C . 11231 1 231 . 1 1 26 26 LEU CA C 13 52.690 0.300 . 1 . . . . 26 LEU CA . 11231 1 232 . 1 1 26 26 LEU CB C 13 39.967 0.300 . 1 . . . . 26 LEU CB . 11231 1 233 . 1 1 26 26 LEU CD1 C 13 25.118 0.300 . 2 . . . . 26 LEU CD1 . 11231 1 234 . 1 1 26 26 LEU CD2 C 13 21.800 0.300 . 2 . . . . 26 LEU CD2 . 11231 1 235 . 1 1 26 26 LEU CG C 13 25.234 0.300 . 1 . . . . 26 LEU CG . 11231 1 236 . 1 1 26 26 LEU N N 15 124.733 0.300 . 1 . . . . 26 LEU N . 11231 1 237 . 1 1 27 27 ASP H H 1 8.594 0.030 . 1 . . . . 27 ASP H . 11231 1 238 . 1 1 27 27 ASP HA H 1 5.013 0.030 . 1 . . . . 27 ASP HA . 11231 1 239 . 1 1 27 27 ASP HB2 H 1 2.342 0.030 . 2 . . . . 27 ASP HB2 . 11231 1 240 . 1 1 27 27 ASP HB3 H 1 3.116 0.030 . 2 . . . . 27 ASP HB3 . 11231 1 241 . 1 1 27 27 ASP C C 13 175.964 0.300 . 1 . . . . 27 ASP C . 11231 1 242 . 1 1 27 27 ASP CA C 13 53.175 0.300 . 1 . . . . 27 ASP CA . 11231 1 243 . 1 1 27 27 ASP CB C 13 41.792 0.300 . 1 . . . . 27 ASP CB . 11231 1 244 . 1 1 27 27 ASP N N 15 121.677 0.300 . 1 . . . . 27 ASP N . 11231 1 245 . 1 1 28 28 GLY H H 1 9.257 0.030 . 1 . . . . 28 GLY H . 11231 1 246 . 1 1 28 28 GLY HA2 H 1 5.326 0.030 . 2 . . . . 28 GLY HA2 . 11231 1 247 . 1 1 28 28 GLY HA3 H 1 3.799 0.030 . 2 . . . . 28 GLY HA3 . 11231 1 248 . 1 1 28 28 GLY C C 13 177.298 0.300 . 1 . . . . 28 GLY C . 11231 1 249 . 1 1 28 28 GLY CA C 13 46.096 0.300 . 1 . . . . 28 GLY CA . 11231 1 250 . 1 1 28 28 GLY N N 15 115.674 0.300 . 1 . . . . 28 GLY N . 11231 1 251 . 1 1 29 29 SER H H 1 8.904 0.030 . 1 . . . . 29 SER H . 11231 1 252 . 1 1 29 29 SER HA H 1 4.202 0.030 . 1 . . . . 29 SER HA . 11231 1 253 . 1 1 29 29 SER HB2 H 1 3.980 0.030 . 2 . . . . 29 SER HB2 . 11231 1 254 . 1 1 29 29 SER HB3 H 1 3.832 0.030 . 2 . . . . 29 SER HB3 . 11231 1 255 . 1 1 29 29 SER C C 13 175.744 0.300 . 1 . . . . 29 SER C . 11231 1 256 . 1 1 29 29 SER CA C 13 61.718 0.300 . 1 . . . . 29 SER CA . 11231 1 257 . 1 1 29 29 SER CB C 13 63.359 0.300 . 1 . . . . 29 SER CB . 11231 1 258 . 1 1 29 29 SER N N 15 117.250 0.300 . 1 . . . . 29 SER N . 11231 1 259 . 1 1 30 30 LYS H H 1 8.656 0.030 . 1 . . . . 30 LYS H . 11231 1 260 . 1 1 30 30 LYS HA H 1 4.437 0.030 . 1 . . . . 30 LYS HA . 11231 1 261 . 1 1 30 30 LYS HB2 H 1 1.946 0.030 . 2 . . . . 30 LYS HB2 . 11231 1 262 . 1 1 30 30 LYS HB3 H 1 1.758 0.030 . 2 . . . . 30 LYS HB3 . 11231 1 263 . 1 1 30 30 LYS HD2 H 1 1.686 0.030 . 1 . . . . 30 LYS HD2 . 11231 1 264 . 1 1 30 30 LYS HD3 H 1 1.686 0.030 . 1 . . . . 30 LYS HD3 . 11231 1 265 . 1 1 30 30 LYS HE2 H 1 3.005 0.030 . 1 . . . . 30 LYS HE2 . 11231 1 266 . 1 1 30 30 LYS HE3 H 1 3.005 0.030 . 1 . . . . 30 LYS HE3 . 11231 1 267 . 1 1 30 30 LYS HG2 H 1 1.542 0.030 . 2 . . . . 30 LYS HG2 . 11231 1 268 . 1 1 30 30 LYS HG3 H 1 1.456 0.030 . 2 . . . . 30 LYS HG3 . 11231 1 269 . 1 1 30 30 LYS C C 13 177.610 0.300 . 1 . . . . 30 LYS C . 11231 1 270 . 1 1 30 30 LYS CA C 13 57.134 0.300 . 1 . . . . 30 LYS CA . 11231 1 271 . 1 1 30 30 LYS CB C 13 31.317 0.300 . 1 . . . . 30 LYS CB . 11231 1 272 . 1 1 30 30 LYS CD C 13 28.767 0.300 . 1 . . . . 30 LYS CD . 11231 1 273 . 1 1 30 30 LYS CE C 13 42.152 0.300 . 1 . . . . 30 LYS CE . 11231 1 274 . 1 1 30 30 LYS CG C 13 25.230 0.300 . 1 . . . . 30 LYS CG . 11231 1 275 . 1 1 30 30 LYS N N 15 122.564 0.300 . 1 . . . . 30 LYS N . 11231 1 276 . 1 1 31 31 SER H H 1 8.353 0.030 . 1 . . . . 31 SER H . 11231 1 277 . 1 1 31 31 SER HA H 1 4.497 0.030 . 1 . . . . 31 SER HA . 11231 1 278 . 1 1 31 31 SER HB2 H 1 4.067 0.030 . 2 . . . . 31 SER HB2 . 11231 1 279 . 1 1 31 31 SER HB3 H 1 3.832 0.030 . 2 . . . . 31 SER HB3 . 11231 1 280 . 1 1 31 31 SER C C 13 173.539 0.300 . 1 . . . . 31 SER C . 11231 1 281 . 1 1 31 31 SER CA C 13 60.505 0.300 . 1 . . . . 31 SER CA . 11231 1 282 . 1 1 31 31 SER CB C 13 64.094 0.300 . 1 . . . . 31 SER CB . 11231 1 283 . 1 1 31 31 SER N N 15 116.090 0.300 . 1 . . . . 31 SER N . 11231 1 284 . 1 1 32 32 SER H H 1 7.954 0.030 . 1 . . . . 32 SER H . 11231 1 285 . 1 1 32 32 SER HA H 1 4.596 0.030 . 1 . . . . 32 SER HA . 11231 1 286 . 1 1 32 32 SER HB2 H 1 4.036 0.030 . 2 . . . . 32 SER HB2 . 11231 1 287 . 1 1 32 32 SER HB3 H 1 3.869 0.030 . 2 . . . . 32 SER HB3 . 11231 1 288 . 1 1 32 32 SER C C 13 174.293 0.300 . 1 . . . . 32 SER C . 11231 1 289 . 1 1 32 32 SER CA C 13 58.025 0.300 . 1 . . . . 32 SER CA . 11231 1 290 . 1 1 32 32 SER CB C 13 64.371 0.300 . 1 . . . . 32 SER CB . 11231 1 291 . 1 1 33 33 ASP H H 1 8.146 0.030 . 1 . . . . 33 ASP H . 11231 1 292 . 1 1 33 33 ASP HA H 1 4.582 0.030 . 1 . . . . 33 ASP HA . 11231 1 293 . 1 1 33 33 ASP HB2 H 1 2.702 0.030 . 1 . . . . 33 ASP HB2 . 11231 1 294 . 1 1 33 33 ASP HB3 H 1 2.702 0.030 . 1 . . . . 33 ASP HB3 . 11231 1 295 . 1 1 33 33 ASP C C 13 176.537 0.300 . 1 . . . . 33 ASP C . 11231 1 296 . 1 1 33 33 ASP CA C 13 55.234 0.300 . 1 . . . . 33 ASP CA . 11231 1 297 . 1 1 33 33 ASP CB C 13 40.917 0.300 . 1 . . . . 33 ASP CB . 11231 1 298 . 1 1 33 33 ASP N N 15 122.362 0.300 . 1 . . . . 33 ASP N . 11231 1 299 . 1 1 34 34 ASP H H 1 8.381 0.030 . 1 . . . . 34 ASP H . 11231 1 300 . 1 1 34 34 ASP HA H 1 4.529 0.030 . 1 . . . . 34 ASP HA . 11231 1 301 . 1 1 34 34 ASP HB2 H 1 2.732 0.030 . 2 . . . . 34 ASP HB2 . 11231 1 302 . 1 1 34 34 ASP HB3 H 1 2.672 0.030 . 2 . . . . 34 ASP HB3 . 11231 1 303 . 1 1 34 34 ASP C C 13 176.158 0.300 . 1 . . . . 34 ASP C . 11231 1 304 . 1 1 34 34 ASP CA C 13 55.166 0.300 . 1 . . . . 34 ASP CA . 11231 1 305 . 1 1 34 34 ASP CB C 13 41.081 0.300 . 1 . . . . 34 ASP CB . 11231 1 306 . 1 1 34 34 ASP N N 15 118.531 0.300 . 1 . . . . 34 ASP N . 11231 1 307 . 1 1 35 35 GLN H H 1 7.888 0.030 . 1 . . . . 35 GLN H . 11231 1 308 . 1 1 35 35 GLN HA H 1 4.381 0.030 . 1 . . . . 35 GLN HA . 11231 1 309 . 1 1 35 35 GLN HB2 H 1 2.161 0.030 . 2 . . . . 35 GLN HB2 . 11231 1 310 . 1 1 35 35 GLN HB3 H 1 1.948 0.030 . 2 . . . . 35 GLN HB3 . 11231 1 311 . 1 1 35 35 GLN HE21 H 1 7.555 0.030 . 2 . . . . 35 GLN HE21 . 11231 1 312 . 1 1 35 35 GLN HE22 H 1 6.735 0.030 . 2 . . . . 35 GLN HE22 . 11231 1 313 . 1 1 35 35 GLN HG2 H 1 2.319 0.030 . 1 . . . . 35 GLN HG2 . 11231 1 314 . 1 1 35 35 GLN HG3 H 1 2.319 0.030 . 1 . . . . 35 GLN HG3 . 11231 1 315 . 1 1 35 35 GLN C C 13 175.134 0.300 . 1 . . . . 35 GLN C . 11231 1 316 . 1 1 35 35 GLN CA C 13 55.392 0.300 . 1 . . . . 35 GLN CA . 11231 1 317 . 1 1 35 35 GLN CB C 13 29.956 0.300 . 1 . . . . 35 GLN CB . 11231 1 318 . 1 1 35 35 GLN CG C 13 33.651 0.300 . 1 . . . . 35 GLN CG . 11231 1 319 . 1 1 35 35 GLN NE2 N 15 112.187 0.300 . 1 . . . . 35 GLN NE2 . 11231 1 320 . 1 1 36 36 LYS H H 1 8.455 0.030 . 1 . . . . 36 LYS H . 11231 1 321 . 1 1 36 36 LYS HA H 1 4.273 0.030 . 1 . . . . 36 LYS HA . 11231 1 322 . 1 1 36 36 LYS HB2 H 1 1.759 0.030 . 2 . . . . 36 LYS HB2 . 11231 1 323 . 1 1 36 36 LYS HB3 H 1 1.739 0.030 . 2 . . . . 36 LYS HB3 . 11231 1 324 . 1 1 36 36 LYS HD2 H 1 1.642 0.030 . 1 . . . . 36 LYS HD2 . 11231 1 325 . 1 1 36 36 LYS HD3 H 1 1.642 0.030 . 1 . . . . 36 LYS HD3 . 11231 1 326 . 1 1 36 36 LYS HE2 H 1 2.966 0.030 . 1 . . . . 36 LYS HE2 . 11231 1 327 . 1 1 36 36 LYS HE3 H 1 2.966 0.030 . 1 . . . . 36 LYS HE3 . 11231 1 328 . 1 1 36 36 LYS HG2 H 1 1.417 0.030 . 2 . . . . 36 LYS HG2 . 11231 1 329 . 1 1 36 36 LYS HG3 H 1 1.301 0.030 . 2 . . . . 36 LYS HG3 . 11231 1 330 . 1 1 36 36 LYS C C 13 175.587 0.300 . 1 . . . . 36 LYS C . 11231 1 331 . 1 1 36 36 LYS CA C 13 56.365 0.300 . 1 . . . . 36 LYS CA . 11231 1 332 . 1 1 36 36 LYS CB C 13 32.777 0.300 . 1 . . . . 36 LYS CB . 11231 1 333 . 1 1 36 36 LYS CD C 13 28.950 0.300 . 1 . . . . 36 LYS CD . 11231 1 334 . 1 1 36 36 LYS CE C 13 42.228 0.300 . 1 . . . . 36 LYS CE . 11231 1 335 . 1 1 36 36 LYS CG C 13 24.928 0.300 . 1 . . . . 36 LYS CG . 11231 1 336 . 1 1 36 36 LYS N N 15 120.918 0.300 . 1 . . . . 36 LYS N . 11231 1 337 . 1 1 37 37 ILE H H 1 8.097 0.030 . 1 . . . . 37 ILE H . 11231 1 338 . 1 1 37 37 ILE HA H 1 4.032 0.030 . 1 . . . . 37 ILE HA . 11231 1 339 . 1 1 37 37 ILE HB H 1 1.763 0.030 . 1 . . . . 37 ILE HB . 11231 1 340 . 1 1 37 37 ILE HD11 H 1 0.564 0.030 . 1 . . . . 37 ILE HD1 . 11231 1 341 . 1 1 37 37 ILE HD12 H 1 0.564 0.030 . 1 . . . . 37 ILE HD1 . 11231 1 342 . 1 1 37 37 ILE HD13 H 1 0.564 0.030 . 1 . . . . 37 ILE HD1 . 11231 1 343 . 1 1 37 37 ILE HG12 H 1 1.252 0.030 . 2 . . . . 37 ILE HG12 . 11231 1 344 . 1 1 37 37 ILE HG13 H 1 1.091 0.030 . 2 . . . . 37 ILE HG13 . 11231 1 345 . 1 1 37 37 ILE HG21 H 1 0.172 0.030 . 1 . . . . 37 ILE HG2 . 11231 1 346 . 1 1 37 37 ILE HG22 H 1 0.172 0.030 . 1 . . . . 37 ILE HG2 . 11231 1 347 . 1 1 37 37 ILE HG23 H 1 0.172 0.030 . 1 . . . . 37 ILE HG2 . 11231 1 348 . 1 1 37 37 ILE C C 13 175.627 0.300 . 1 . . . . 37 ILE C . 11231 1 349 . 1 1 37 37 ILE CA C 13 60.134 0.300 . 1 . . . . 37 ILE CA . 11231 1 350 . 1 1 37 37 ILE CB C 13 37.642 0.300 . 1 . . . . 37 ILE CB . 11231 1 351 . 1 1 37 37 ILE CD1 C 13 10.853 0.300 . 1 . . . . 37 ILE CD1 . 11231 1 352 . 1 1 37 37 ILE CG1 C 13 27.480 0.300 . 1 . . . . 37 ILE CG1 . 11231 1 353 . 1 1 37 37 ILE CG2 C 13 18.950 0.300 . 1 . . . . 37 ILE CG2 . 11231 1 354 . 1 1 37 37 ILE N N 15 123.102 0.300 . 1 . . . . 37 ILE N . 11231 1 355 . 1 1 38 38 ILE H H 1 8.632 0.030 . 1 . . . . 38 ILE H . 11231 1 356 . 1 1 38 38 ILE HA H 1 4.424 0.030 . 1 . . . . 38 ILE HA . 11231 1 357 . 1 1 38 38 ILE HB H 1 1.860 0.030 . 1 . . . . 38 ILE HB . 11231 1 358 . 1 1 38 38 ILE HD11 H 1 0.734 0.030 . 1 . . . . 38 ILE HD1 . 11231 1 359 . 1 1 38 38 ILE HD12 H 1 0.734 0.030 . 1 . . . . 38 ILE HD1 . 11231 1 360 . 1 1 38 38 ILE HD13 H 1 0.734 0.030 . 1 . . . . 38 ILE HD1 . 11231 1 361 . 1 1 38 38 ILE HG12 H 1 1.112 0.030 . 2 . . . . 38 ILE HG12 . 11231 1 362 . 1 1 38 38 ILE HG13 H 1 0.922 0.030 . 2 . . . . 38 ILE HG13 . 11231 1 363 . 1 1 38 38 ILE HG21 H 1 0.772 0.030 . 1 . . . . 38 ILE HG2 . 11231 1 364 . 1 1 38 38 ILE HG22 H 1 0.772 0.030 . 1 . . . . 38 ILE HG2 . 11231 1 365 . 1 1 38 38 ILE HG23 H 1 0.772 0.030 . 1 . . . . 38 ILE HG2 . 11231 1 366 . 1 1 38 38 ILE CA C 13 60.575 0.300 . 1 . . . . 38 ILE CA . 11231 1 367 . 1 1 38 38 ILE CB C 13 38.825 0.300 . 1 . . . . 38 ILE CB . 11231 1 368 . 1 1 38 38 ILE CD1 C 13 12.826 0.300 . 1 . . . . 38 ILE CD1 . 11231 1 369 . 1 1 38 38 ILE CG1 C 13 26.508 0.300 . 1 . . . . 38 ILE CG1 . 11231 1 370 . 1 1 38 38 ILE CG2 C 13 17.865 0.300 . 1 . . . . 38 ILE CG2 . 11231 1 371 . 1 1 39 39 SER HA H 1 4.672 0.030 . 1 . . . . 39 SER HA . 11231 1 372 . 1 1 39 39 SER HB2 H 1 3.779 0.030 . 2 . . . . 39 SER HB2 . 11231 1 373 . 1 1 39 39 SER HB3 H 1 3.633 0.030 . 2 . . . . 39 SER HB3 . 11231 1 374 . 1 1 39 39 SER C C 13 170.845 0.300 . 1 . . . . 39 SER C . 11231 1 375 . 1 1 39 39 SER CA C 13 57.440 0.300 . 1 . . . . 39 SER CA . 11231 1 376 . 1 1 39 39 SER CB C 13 65.338 0.300 . 1 . . . . 39 SER CB . 11231 1 377 . 1 1 40 40 TYR H H 1 8.570 0.030 . 1 . . . . 40 TYR H . 11231 1 378 . 1 1 40 40 TYR HA H 1 4.596 0.030 . 1 . . . . 40 TYR HA . 11231 1 379 . 1 1 40 40 TYR HB2 H 1 2.414 0.030 . 2 . . . . 40 TYR HB2 . 11231 1 380 . 1 1 40 40 TYR HB3 H 1 2.216 0.030 . 2 . . . . 40 TYR HB3 . 11231 1 381 . 1 1 40 40 TYR HD1 H 1 6.898 0.030 . 1 . . . . 40 TYR HD1 . 11231 1 382 . 1 1 40 40 TYR HD2 H 1 6.898 0.030 . 1 . . . . 40 TYR HD2 . 11231 1 383 . 1 1 40 40 TYR HE1 H 1 6.656 0.030 . 1 . . . . 40 TYR HE1 . 11231 1 384 . 1 1 40 40 TYR HE2 H 1 6.656 0.030 . 1 . . . . 40 TYR HE2 . 11231 1 385 . 1 1 40 40 TYR C C 13 175.365 0.300 . 1 . . . . 40 TYR C . 11231 1 386 . 1 1 40 40 TYR CA C 13 57.267 0.300 . 1 . . . . 40 TYR CA . 11231 1 387 . 1 1 40 40 TYR CB C 13 42.347 0.300 . 1 . . . . 40 TYR CB . 11231 1 388 . 1 1 40 40 TYR CD1 C 13 133.367 0.300 . 1 . . . . 40 TYR CD1 . 11231 1 389 . 1 1 40 40 TYR CD2 C 13 133.367 0.300 . 1 . . . . 40 TYR CD2 . 11231 1 390 . 1 1 40 40 TYR CE1 C 13 117.801 0.300 . 1 . . . . 40 TYR CE1 . 11231 1 391 . 1 1 40 40 TYR CE2 C 13 117.801 0.300 . 1 . . . . 40 TYR CE2 . 11231 1 392 . 1 1 40 40 TYR N N 15 120.626 0.300 . 1 . . . . 40 TYR N . 11231 1 393 . 1 1 41 41 LEU H H 1 8.170 0.030 . 1 . . . . 41 LEU H . 11231 1 394 . 1 1 41 41 LEU HA H 1 5.109 0.030 . 1 . . . . 41 LEU HA . 11231 1 395 . 1 1 41 41 LEU HB2 H 1 1.656 0.030 . 2 . . . . 41 LEU HB2 . 11231 1 396 . 1 1 41 41 LEU HB3 H 1 1.397 0.030 . 2 . . . . 41 LEU HB3 . 11231 1 397 . 1 1 41 41 LEU HD11 H 1 0.820 0.030 . 1 . . . . 41 LEU HD1 . 11231 1 398 . 1 1 41 41 LEU HD12 H 1 0.820 0.030 . 1 . . . . 41 LEU HD1 . 11231 1 399 . 1 1 41 41 LEU HD13 H 1 0.820 0.030 . 1 . . . . 41 LEU HD1 . 11231 1 400 . 1 1 41 41 LEU HD21 H 1 0.950 0.030 . 1 . . . . 41 LEU HD2 . 11231 1 401 . 1 1 41 41 LEU HD22 H 1 0.950 0.030 . 1 . . . . 41 LEU HD2 . 11231 1 402 . 1 1 41 41 LEU HD23 H 1 0.950 0.030 . 1 . . . . 41 LEU HD2 . 11231 1 403 . 1 1 41 41 LEU HG H 1 1.354 0.030 . 1 . . . . 41 LEU HG . 11231 1 404 . 1 1 41 41 LEU C C 13 174.957 0.300 . 1 . . . . 41 LEU C . 11231 1 405 . 1 1 41 41 LEU CA C 13 55.199 0.300 . 1 . . . . 41 LEU CA . 11231 1 406 . 1 1 41 41 LEU CB C 13 45.356 0.300 . 1 . . . . 41 LEU CB . 11231 1 407 . 1 1 41 41 LEU CD1 C 13 25.875 0.300 . 2 . . . . 41 LEU CD1 . 11231 1 408 . 1 1 41 41 LEU CD2 C 13 22.776 0.300 . 2 . . . . 41 LEU CD2 . 11231 1 409 . 1 1 41 41 LEU CG C 13 27.855 0.300 . 1 . . . . 41 LEU CG . 11231 1 410 . 1 1 41 41 LEU N N 15 121.627 0.300 . 1 . . . . 41 LEU N . 11231 1 411 . 1 1 42 42 TRP H H 1 9.358 0.030 . 1 . . . . 42 TRP H . 11231 1 412 . 1 1 42 42 TRP HA H 1 5.509 0.030 . 1 . . . . 42 TRP HA . 11231 1 413 . 1 1 42 42 TRP HB2 H 1 3.059 0.030 . 2 . . . . 42 TRP HB2 . 11231 1 414 . 1 1 42 42 TRP HB3 H 1 2.903 0.030 . 2 . . . . 42 TRP HB3 . 11231 1 415 . 1 1 42 42 TRP HD1 H 1 7.542 0.030 . 1 . . . . 42 TRP HD1 . 11231 1 416 . 1 1 42 42 TRP HE1 H 1 9.193 0.030 . 1 . . . . 42 TRP HE1 . 11231 1 417 . 1 1 42 42 TRP HE3 H 1 7.260 0.030 . 1 . . . . 42 TRP HE3 . 11231 1 418 . 1 1 42 42 TRP HH2 H 1 7.222 0.030 . 1 . . . . 42 TRP HH2 . 11231 1 419 . 1 1 42 42 TRP HZ2 H 1 7.237 0.030 . 1 . . . . 42 TRP HZ2 . 11231 1 420 . 1 1 42 42 TRP HZ3 H 1 6.883 0.030 . 1 . . . . 42 TRP HZ3 . 11231 1 421 . 1 1 42 42 TRP C C 13 175.840 0.300 . 1 . . . . 42 TRP C . 11231 1 422 . 1 1 42 42 TRP CA C 13 56.409 0.300 . 1 . . . . 42 TRP CA . 11231 1 423 . 1 1 42 42 TRP CB C 13 32.104 0.300 . 1 . . . . 42 TRP CB . 11231 1 424 . 1 1 42 42 TRP CD1 C 13 129.040 0.300 . 1 . . . . 42 TRP CD1 . 11231 1 425 . 1 1 42 42 TRP CE3 C 13 119.391 0.300 . 1 . . . . 42 TRP CE3 . 11231 1 426 . 1 1 42 42 TRP CH2 C 13 123.905 0.300 . 1 . . . . 42 TRP CH2 . 11231 1 427 . 1 1 42 42 TRP CZ2 C 13 115.283 0.300 . 1 . . . . 42 TRP CZ2 . 11231 1 428 . 1 1 42 42 TRP CZ3 C 13 121.820 0.300 . 1 . . . . 42 TRP CZ3 . 11231 1 429 . 1 1 42 42 TRP N N 15 129.582 0.300 . 1 . . . . 42 TRP N . 11231 1 430 . 1 1 42 42 TRP NE1 N 15 127.970 0.300 . 1 . . . . 42 TRP NE1 . 11231 1 431 . 1 1 43 43 GLU H H 1 9.119 0.030 . 1 . . . . 43 GLU H . 11231 1 432 . 1 1 43 43 GLU HA H 1 4.712 0.030 . 1 . . . . 43 GLU HA . 11231 1 433 . 1 1 43 43 GLU HB2 H 1 1.993 0.030 . 2 . . . . 43 GLU HB2 . 11231 1 434 . 1 1 43 43 GLU HB3 H 1 1.889 0.030 . 2 . . . . 43 GLU HB3 . 11231 1 435 . 1 1 43 43 GLU HG2 H 1 2.118 0.030 . 2 . . . . 43 GLU HG2 . 11231 1 436 . 1 1 43 43 GLU HG3 H 1 2.199 0.030 . 2 . . . . 43 GLU HG3 . 11231 1 437 . 1 1 43 43 GLU C C 13 175.177 0.300 . 1 . . . . 43 GLU C . 11231 1 438 . 1 1 43 43 GLU CA C 13 54.823 0.300 . 1 . . . . 43 GLU CA . 11231 1 439 . 1 1 43 43 GLU CB C 13 35.401 0.300 . 1 . . . . 43 GLU CB . 11231 1 440 . 1 1 43 43 GLU CG C 13 37.231 0.300 . 1 . . . . 43 GLU CG . 11231 1 441 . 1 1 43 43 GLU N N 15 116.775 0.300 . 1 . . . . 43 GLU N . 11231 1 442 . 1 1 44 44 LYS H H 1 9.216 0.030 . 1 . . . . 44 LYS H . 11231 1 443 . 1 1 44 44 LYS HA H 1 4.463 0.030 . 1 . . . . 44 LYS HA . 11231 1 444 . 1 1 44 44 LYS HB2 H 1 2.022 0.030 . 2 . . . . 44 LYS HB2 . 11231 1 445 . 1 1 44 44 LYS HB3 H 1 1.627 0.030 . 2 . . . . 44 LYS HB3 . 11231 1 446 . 1 1 44 44 LYS HD2 H 1 1.489 0.030 . 2 . . . . 44 LYS HD2 . 11231 1 447 . 1 1 44 44 LYS HD3 H 1 1.464 0.030 . 2 . . . . 44 LYS HD3 . 11231 1 448 . 1 1 44 44 LYS HE2 H 1 2.919 0.030 . 2 . . . . 44 LYS HE2 . 11231 1 449 . 1 1 44 44 LYS HE3 H 1 2.863 0.030 . 2 . . . . 44 LYS HE3 . 11231 1 450 . 1 1 44 44 LYS HG2 H 1 0.954 0.030 . 2 . . . . 44 LYS HG2 . 11231 1 451 . 1 1 44 44 LYS HG3 H 1 1.201 0.030 . 2 . . . . 44 LYS HG3 . 11231 1 452 . 1 1 44 44 LYS C C 13 175.877 0.300 . 1 . . . . 44 LYS C . 11231 1 453 . 1 1 44 44 LYS CA C 13 57.041 0.300 . 1 . . . . 44 LYS CA . 11231 1 454 . 1 1 44 44 LYS CB C 13 31.432 0.300 . 1 . . . . 44 LYS CB . 11231 1 455 . 1 1 44 44 LYS CD C 13 29.736 0.300 . 1 . . . . 44 LYS CD . 11231 1 456 . 1 1 44 44 LYS CE C 13 41.244 0.300 . 1 . . . . 44 LYS CE . 11231 1 457 . 1 1 44 44 LYS CG C 13 24.382 0.300 . 1 . . . . 44 LYS CG . 11231 1 458 . 1 1 44 44 LYS N N 15 124.157 0.300 . 1 . . . . 44 LYS N . 11231 1 459 . 1 1 45 45 THR H H 1 8.985 0.030 . 1 . . . . 45 THR H . 11231 1 460 . 1 1 45 45 THR HA H 1 4.422 0.030 . 1 . . . . 45 THR HA . 11231 1 461 . 1 1 45 45 THR HB H 1 3.997 0.030 . 1 . . . . 45 THR HB . 11231 1 462 . 1 1 45 45 THR HG21 H 1 1.170 0.030 . 1 . . . . 45 THR HG2 . 11231 1 463 . 1 1 45 45 THR HG22 H 1 1.170 0.030 . 1 . . . . 45 THR HG2 . 11231 1 464 . 1 1 45 45 THR HG23 H 1 1.170 0.030 . 1 . . . . 45 THR HG2 . 11231 1 465 . 1 1 45 45 THR C C 13 174.676 0.300 . 1 . . . . 45 THR C . 11231 1 466 . 1 1 45 45 THR CA C 13 63.292 0.300 . 1 . . . . 45 THR CA . 11231 1 467 . 1 1 45 45 THR CB C 13 69.400 0.300 . 1 . . . . 45 THR CB . 11231 1 468 . 1 1 45 45 THR CG2 C 13 22.776 0.300 . 1 . . . . 45 THR CG2 . 11231 1 469 . 1 1 45 45 THR N N 15 123.683 0.300 . 1 . . . . 45 THR N . 11231 1 470 . 1 1 46 46 GLN H H 1 7.976 0.030 . 1 . . . . 46 GLN H . 11231 1 471 . 1 1 46 46 GLN HA H 1 4.591 0.030 . 1 . . . . 46 GLN HA . 11231 1 472 . 1 1 46 46 GLN HB2 H 1 1.946 0.030 . 2 . . . . 46 GLN HB2 . 11231 1 473 . 1 1 46 46 GLN HB3 H 1 1.839 0.030 . 2 . . . . 46 GLN HB3 . 11231 1 474 . 1 1 46 46 GLN HE21 H 1 6.811 0.030 . 2 . . . . 46 GLN HE21 . 11231 1 475 . 1 1 46 46 GLN HE22 H 1 7.423 0.030 . 2 . . . . 46 GLN HE22 . 11231 1 476 . 1 1 46 46 GLN HG2 H 1 2.284 0.030 . 1 . . . . 46 GLN HG2 . 11231 1 477 . 1 1 46 46 GLN HG3 H 1 2.284 0.030 . 1 . . . . 46 GLN HG3 . 11231 1 478 . 1 1 46 46 GLN C C 13 174.409 0.300 . 1 . . . . 46 GLN C . 11231 1 479 . 1 1 46 46 GLN CA C 13 55.706 0.300 . 1 . . . . 46 GLN CA . 11231 1 480 . 1 1 46 46 GLN CB C 13 33.325 0.300 . 1 . . . . 46 GLN CB . 11231 1 481 . 1 1 46 46 GLN CG C 13 33.900 0.300 . 1 . . . . 46 GLN CG . 11231 1 482 . 1 1 46 46 GLN N N 15 119.564 0.300 . 1 . . . . 46 GLN N . 11231 1 483 . 1 1 46 46 GLN NE2 N 15 111.660 0.300 . 1 . . . . 46 GLN NE2 . 11231 1 484 . 1 1 47 47 GLY H H 1 8.460 0.030 . 1 . . . . 47 GLY H . 11231 1 485 . 1 1 47 47 GLY HA2 H 1 4.312 0.030 . 2 . . . . 47 GLY HA2 . 11231 1 486 . 1 1 47 47 GLY HA3 H 1 3.703 0.030 . 2 . . . . 47 GLY HA3 . 11231 1 487 . 1 1 47 47 GLY C C 13 171.536 0.300 . 1 . . . . 47 GLY C . 11231 1 488 . 1 1 47 47 GLY CA C 13 44.450 0.300 . 1 . . . . 47 GLY CA . 11231 1 489 . 1 1 47 47 GLY N N 15 111.420 0.300 . 1 . . . . 47 GLY N . 11231 1 490 . 1 1 48 48 PRO HA H 1 4.243 0.030 . 1 . . . . 48 PRO HA . 11231 1 491 . 1 1 48 48 PRO HB2 H 1 2.287 0.030 . 2 . . . . 48 PRO HB2 . 11231 1 492 . 1 1 48 48 PRO HB3 H 1 1.880 0.030 . 2 . . . . 48 PRO HB3 . 11231 1 493 . 1 1 48 48 PRO HD2 H 1 1.752 0.030 . 2 . . . . 48 PRO HD2 . 11231 1 494 . 1 1 48 48 PRO HD3 H 1 3.073 0.030 . 2 . . . . 48 PRO HD3 . 11231 1 495 . 1 1 48 48 PRO HG2 H 1 1.825 0.030 . 2 . . . . 48 PRO HG2 . 11231 1 496 . 1 1 48 48 PRO HG3 H 1 1.773 0.030 . 2 . . . . 48 PRO HG3 . 11231 1 497 . 1 1 48 48 PRO C C 13 175.426 0.300 . 1 . . . . 48 PRO C . 11231 1 498 . 1 1 48 48 PRO CA C 13 63.472 0.300 . 1 . . . . 48 PRO CA . 11231 1 499 . 1 1 48 48 PRO CB C 13 32.367 0.300 . 1 . . . . 48 PRO CB . 11231 1 500 . 1 1 48 48 PRO CD C 13 48.825 0.300 . 1 . . . . 48 PRO CD . 11231 1 501 . 1 1 48 48 PRO CG C 13 27.009 0.300 . 1 . . . . 48 PRO CG . 11231 1 502 . 1 1 49 49 ASP H H 1 8.187 0.030 . 1 . . . . 49 ASP H . 11231 1 503 . 1 1 49 49 ASP HA H 1 4.678 0.030 . 1 . . . . 49 ASP HA . 11231 1 504 . 1 1 49 49 ASP HB2 H 1 2.775 0.030 . 2 . . . . 49 ASP HB2 . 11231 1 505 . 1 1 49 49 ASP HB3 H 1 2.587 0.030 . 2 . . . . 49 ASP HB3 . 11231 1 506 . 1 1 49 49 ASP C C 13 177.442 0.300 . 1 . . . . 49 ASP C . 11231 1 507 . 1 1 49 49 ASP CA C 13 54.626 0.300 . 1 . . . . 49 ASP CA . 11231 1 508 . 1 1 49 49 ASP CB C 13 41.693 0.300 . 1 . . . . 49 ASP CB . 11231 1 509 . 1 1 49 49 ASP N N 15 119.309 0.300 . 1 . . . . 49 ASP N . 11231 1 510 . 1 1 50 50 GLY H H 1 8.583 0.030 . 1 . . . . 50 GLY H . 11231 1 511 . 1 1 50 50 GLY HA2 H 1 4.404 0.030 . 2 . . . . 50 GLY HA2 . 11231 1 512 . 1 1 50 50 GLY HA3 H 1 3.715 0.030 . 2 . . . . 50 GLY HA3 . 11231 1 513 . 1 1 50 50 GLY C C 13 174.235 0.300 . 1 . . . . 50 GLY C . 11231 1 514 . 1 1 50 50 GLY CA C 13 45.730 0.300 . 1 . . . . 50 GLY CA . 11231 1 515 . 1 1 51 51 VAL H H 1 7.105 0.030 . 1 . . . . 51 VAL H . 11231 1 516 . 1 1 51 51 VAL HA H 1 4.506 0.030 . 1 . . . . 51 VAL HA . 11231 1 517 . 1 1 51 51 VAL HB H 1 2.191 0.030 . 1 . . . . 51 VAL HB . 11231 1 518 . 1 1 51 51 VAL HG11 H 1 1.025 0.030 . 1 . . . . 51 VAL HG1 . 11231 1 519 . 1 1 51 51 VAL HG12 H 1 1.025 0.030 . 1 . . . . 51 VAL HG1 . 11231 1 520 . 1 1 51 51 VAL HG13 H 1 1.025 0.030 . 1 . . . . 51 VAL HG1 . 11231 1 521 . 1 1 51 51 VAL HG21 H 1 0.981 0.030 . 1 . . . . 51 VAL HG2 . 11231 1 522 . 1 1 51 51 VAL HG22 H 1 0.981 0.030 . 1 . . . . 51 VAL HG2 . 11231 1 523 . 1 1 51 51 VAL HG23 H 1 0.981 0.030 . 1 . . . . 51 VAL HG2 . 11231 1 524 . 1 1 51 51 VAL C C 13 175.052 0.300 . 1 . . . . 51 VAL C . 11231 1 525 . 1 1 51 51 VAL CA C 13 60.722 0.300 . 1 . . . . 51 VAL CA . 11231 1 526 . 1 1 51 51 VAL CB C 13 32.534 0.300 . 1 . . . . 51 VAL CB . 11231 1 527 . 1 1 51 51 VAL CG1 C 13 21.950 0.300 . 2 . . . . 51 VAL CG1 . 11231 1 528 . 1 1 51 51 VAL CG2 C 13 22.200 0.300 . 2 . . . . 51 VAL CG2 . 11231 1 529 . 1 1 51 51 VAL N N 15 116.560 0.300 . 1 . . . . 51 VAL N . 11231 1 530 . 1 1 52 52 GLN H H 1 8.463 0.030 . 1 . . . . 52 GLN H . 11231 1 531 . 1 1 52 52 GLN HA H 1 4.646 0.030 . 1 . . . . 52 GLN HA . 11231 1 532 . 1 1 52 52 GLN HB2 H 1 1.974 0.030 . 2 . . . . 52 GLN HB2 . 11231 1 533 . 1 1 52 52 GLN HB3 H 1 1.923 0.030 . 2 . . . . 52 GLN HB3 . 11231 1 534 . 1 1 52 52 GLN HE21 H 1 6.775 0.030 . 2 . . . . 52 GLN HE21 . 11231 1 535 . 1 1 52 52 GLN HE22 H 1 7.387 0.030 . 2 . . . . 52 GLN HE22 . 11231 1 536 . 1 1 52 52 GLN HG2 H 1 2.236 0.030 . 1 . . . . 52 GLN HG2 . 11231 1 537 . 1 1 52 52 GLN HG3 H 1 2.236 0.030 . 1 . . . . 52 GLN HG3 . 11231 1 538 . 1 1 52 52 GLN C C 13 173.983 0.300 . 1 . . . . 52 GLN C . 11231 1 539 . 1 1 52 52 GLN CA C 13 54.598 0.300 . 1 . . . . 52 GLN CA . 11231 1 540 . 1 1 52 52 GLN CB C 13 30.490 0.300 . 1 . . . . 52 GLN CB . 11231 1 541 . 1 1 52 52 GLN CG C 13 33.609 0.300 . 1 . . . . 52 GLN CG . 11231 1 542 . 1 1 52 52 GLN N N 15 124.401 0.300 . 1 . . . . 52 GLN N . 11231 1 543 . 1 1 52 52 GLN NE2 N 15 112.449 0.300 . 1 . . . . 52 GLN NE2 . 11231 1 544 . 1 1 53 53 LEU H H 1 8.666 0.030 . 1 . . . . 53 LEU H . 11231 1 545 . 1 1 53 53 LEU HA H 1 4.991 0.030 . 1 . . . . 53 LEU HA . 11231 1 546 . 1 1 53 53 LEU HB2 H 1 1.408 0.030 . 2 . . . . 53 LEU HB2 . 11231 1 547 . 1 1 53 53 LEU HB3 H 1 1.633 0.030 . 2 . . . . 53 LEU HB3 . 11231 1 548 . 1 1 53 53 LEU HD11 H 1 0.705 0.030 . 1 . . . . 53 LEU HD1 . 11231 1 549 . 1 1 53 53 LEU HD12 H 1 0.705 0.030 . 1 . . . . 53 LEU HD1 . 11231 1 550 . 1 1 53 53 LEU HD13 H 1 0.705 0.030 . 1 . . . . 53 LEU HD1 . 11231 1 551 . 1 1 53 53 LEU HD21 H 1 0.861 0.030 . 1 . . . . 53 LEU HD2 . 11231 1 552 . 1 1 53 53 LEU HD22 H 1 0.861 0.030 . 1 . . . . 53 LEU HD2 . 11231 1 553 . 1 1 53 53 LEU HD23 H 1 0.861 0.030 . 1 . . . . 53 LEU HD2 . 11231 1 554 . 1 1 53 53 LEU HG H 1 1.496 0.030 . 1 . . . . 53 LEU HG . 11231 1 555 . 1 1 53 53 LEU C C 13 175.841 0.300 . 1 . . . . 53 LEU C . 11231 1 556 . 1 1 53 53 LEU CA C 13 54.231 0.300 . 1 . . . . 53 LEU CA . 11231 1 557 . 1 1 53 53 LEU CB C 13 44.416 0.300 . 1 . . . . 53 LEU CB . 11231 1 558 . 1 1 53 53 LEU CD1 C 13 26.009 0.300 . 2 . . . . 53 LEU CD1 . 11231 1 559 . 1 1 53 53 LEU CD2 C 13 25.372 0.300 . 2 . . . . 53 LEU CD2 . 11231 1 560 . 1 1 53 53 LEU CG C 13 28.525 0.300 . 1 . . . . 53 LEU CG . 11231 1 561 . 1 1 53 53 LEU N N 15 125.307 0.300 . 1 . . . . 53 LEU N . 11231 1 562 . 1 1 54 54 GLU H H 1 9.199 0.030 . 1 . . . . 54 GLU H . 11231 1 563 . 1 1 54 54 GLU HA H 1 4.584 0.030 . 1 . . . . 54 GLU HA . 11231 1 564 . 1 1 54 54 GLU HB2 H 1 1.771 0.030 . 2 . . . . 54 GLU HB2 . 11231 1 565 . 1 1 54 54 GLU HB3 H 1 1.917 0.030 . 2 . . . . 54 GLU HB3 . 11231 1 566 . 1 1 54 54 GLU HG2 H 1 2.183 0.030 . 2 . . . . 54 GLU HG2 . 11231 1 567 . 1 1 54 54 GLU HG3 H 1 2.142 0.030 . 2 . . . . 54 GLU HG3 . 11231 1 568 . 1 1 54 54 GLU C C 13 175.809 0.300 . 1 . . . . 54 GLU C . 11231 1 569 . 1 1 54 54 GLU CA C 13 54.549 0.300 . 1 . . . . 54 GLU CA . 11231 1 570 . 1 1 54 54 GLU CB C 13 32.206 0.300 . 1 . . . . 54 GLU CB . 11231 1 571 . 1 1 54 54 GLU CG C 13 35.944 0.300 . 1 . . . . 54 GLU CG . 11231 1 572 . 1 1 54 54 GLU N N 15 124.649 0.300 . 1 . . . . 54 GLU N . 11231 1 573 . 1 1 55 55 ASN H H 1 9.121 0.030 . 1 . . . . 55 ASN H . 11231 1 574 . 1 1 55 55 ASN HA H 1 4.499 0.030 . 1 . . . . 55 ASN HA . 11231 1 575 . 1 1 55 55 ASN HB2 H 1 2.995 0.030 . 2 . . . . 55 ASN HB2 . 11231 1 576 . 1 1 55 55 ASN HB3 H 1 3.240 0.030 . 2 . . . . 55 ASN HB3 . 11231 1 577 . 1 1 55 55 ASN HD21 H 1 6.930 0.030 . 2 . . . . 55 ASN HD21 . 11231 1 578 . 1 1 55 55 ASN HD22 H 1 7.829 0.030 . 2 . . . . 55 ASN HD22 . 11231 1 579 . 1 1 55 55 ASN C C 13 175.289 0.300 . 1 . . . . 55 ASN C . 11231 1 580 . 1 1 55 55 ASN CA C 13 54.334 0.300 . 1 . . . . 55 ASN CA . 11231 1 581 . 1 1 55 55 ASN CB C 13 36.853 0.300 . 1 . . . . 55 ASN CB . 11231 1 582 . 1 1 55 55 ASN N N 15 118.981 0.300 . 1 . . . . 55 ASN N . 11231 1 583 . 1 1 55 55 ASN ND2 N 15 114.957 0.300 . 1 . . . . 55 ASN ND2 . 11231 1 584 . 1 1 56 56 ALA H H 1 8.333 0.030 . 1 . . . . 56 ALA H . 11231 1 585 . 1 1 56 56 ALA HA H 1 4.123 0.030 . 1 . . . . 56 ALA HA . 11231 1 586 . 1 1 56 56 ALA HB1 H 1 1.662 0.030 . 1 . . . . 56 ALA HB . 11231 1 587 . 1 1 56 56 ALA HB2 H 1 1.662 0.030 . 1 . . . . 56 ALA HB . 11231 1 588 . 1 1 56 56 ALA HB3 H 1 1.662 0.030 . 1 . . . . 56 ALA HB . 11231 1 589 . 1 1 56 56 ALA C C 13 176.464 0.300 . 1 . . . . 56 ALA C . 11231 1 590 . 1 1 56 56 ALA CA C 13 54.603 0.300 . 1 . . . . 56 ALA CA . 11231 1 591 . 1 1 56 56 ALA CB C 13 18.968 0.300 . 1 . . . . 56 ALA CB . 11231 1 592 . 1 1 56 56 ALA N N 15 116.761 0.300 . 1 . . . . 56 ALA N . 11231 1 593 . 1 1 57 57 ASN H H 1 8.159 0.030 . 1 . . . . 57 ASN H . 11231 1 594 . 1 1 57 57 ASN HA H 1 5.639 0.030 . 1 . . . . 57 ASN HA . 11231 1 595 . 1 1 57 57 ASN HB2 H 1 2.999 0.030 . 2 . . . . 57 ASN HB2 . 11231 1 596 . 1 1 57 57 ASN HB3 H 1 3.076 0.030 . 2 . . . . 57 ASN HB3 . 11231 1 597 . 1 1 57 57 ASN HD21 H 1 7.840 0.030 . 2 . . . . 57 ASN HD21 . 11231 1 598 . 1 1 57 57 ASN HD22 H 1 7.007 0.030 . 2 . . . . 57 ASN HD22 . 11231 1 599 . 1 1 57 57 ASN C C 13 175.158 0.300 . 1 . . . . 57 ASN C . 11231 1 600 . 1 1 57 57 ASN CA C 13 51.840 0.300 . 1 . . . . 57 ASN CA . 11231 1 601 . 1 1 57 57 ASN CB C 13 38.041 0.300 . 1 . . . . 57 ASN CB . 11231 1 602 . 1 1 57 57 ASN N N 15 113.162 0.300 . 1 . . . . 57 ASN N . 11231 1 603 . 1 1 57 57 ASN ND2 N 15 112.136 0.300 . 1 . . . . 57 ASN ND2 . 11231 1 604 . 1 1 58 58 SER H H 1 7.760 0.030 . 1 . . . . 58 SER H . 11231 1 605 . 1 1 58 58 SER HA H 1 4.744 0.030 . 1 . . . . 58 SER HA . 11231 1 606 . 1 1 58 58 SER HB2 H 1 3.834 0.030 . 1 . . . . 58 SER HB2 . 11231 1 607 . 1 1 58 58 SER HB3 H 1 3.834 0.030 . 1 . . . . 58 SER HB3 . 11231 1 608 . 1 1 58 58 SER C C 13 171.454 0.300 . 1 . . . . 58 SER C . 11231 1 609 . 1 1 58 58 SER CA C 13 56.754 0.300 . 1 . . . . 58 SER CA . 11231 1 610 . 1 1 58 58 SER CB C 13 66.238 0.300 . 1 . . . . 58 SER CB . 11231 1 611 . 1 1 58 58 SER N N 15 116.934 0.300 . 1 . . . . 58 SER N . 11231 1 612 . 1 1 59 59 SER H H 1 7.911 0.030 . 1 . . . . 59 SER H . 11231 1 613 . 1 1 59 59 SER HA H 1 3.179 0.030 . 1 . . . . 59 SER HA . 11231 1 614 . 1 1 59 59 SER HB2 H 1 2.715 0.030 . 2 . . . . 59 SER HB2 . 11231 1 615 . 1 1 59 59 SER HB3 H 1 3.172 0.030 . 2 . . . . 59 SER HB3 . 11231 1 616 . 1 1 59 59 SER C C 13 174.397 0.300 . 1 . . . . 59 SER C . 11231 1 617 . 1 1 59 59 SER CA C 13 60.684 0.300 . 1 . . . . 59 SER CA . 11231 1 618 . 1 1 59 59 SER CB C 13 62.593 0.300 . 1 . . . . 59 SER CB . 11231 1 619 . 1 1 59 59 SER N N 15 113.087 0.300 . 1 . . . . 59 SER N . 11231 1 620 . 1 1 60 60 VAL H H 1 7.142 0.030 . 1 . . . . 60 VAL H . 11231 1 621 . 1 1 60 60 VAL HA H 1 5.214 0.030 . 1 . . . . 60 VAL HA . 11231 1 622 . 1 1 60 60 VAL HB H 1 1.842 0.030 . 1 . . . . 60 VAL HB . 11231 1 623 . 1 1 60 60 VAL HG11 H 1 0.897 0.030 . 1 . . . . 60 VAL HG1 . 11231 1 624 . 1 1 60 60 VAL HG12 H 1 0.897 0.030 . 1 . . . . 60 VAL HG1 . 11231 1 625 . 1 1 60 60 VAL HG13 H 1 0.897 0.030 . 1 . . . . 60 VAL HG1 . 11231 1 626 . 1 1 60 60 VAL HG21 H 1 0.655 0.030 . 1 . . . . 60 VAL HG2 . 11231 1 627 . 1 1 60 60 VAL HG22 H 1 0.655 0.030 . 1 . . . . 60 VAL HG2 . 11231 1 628 . 1 1 60 60 VAL HG23 H 1 0.655 0.030 . 1 . . . . 60 VAL HG2 . 11231 1 629 . 1 1 60 60 VAL C C 13 175.136 0.300 . 1 . . . . 60 VAL C . 11231 1 630 . 1 1 60 60 VAL CA C 13 60.917 0.300 . 1 . . . . 60 VAL CA . 11231 1 631 . 1 1 60 60 VAL CB C 13 33.211 0.300 . 1 . . . . 60 VAL CB . 11231 1 632 . 1 1 60 60 VAL CG1 C 13 20.575 0.300 . 2 . . . . 60 VAL CG1 . 11231 1 633 . 1 1 60 60 VAL CG2 C 13 20.936 0.300 . 2 . . . . 60 VAL CG2 . 11231 1 634 . 1 1 60 60 VAL N N 15 120.556 0.300 . 1 . . . . 60 VAL N . 11231 1 635 . 1 1 61 61 ALA H H 1 8.119 0.030 . 1 . . . . 61 ALA H . 11231 1 636 . 1 1 61 61 ALA HA H 1 4.658 0.030 . 1 . . . . 61 ALA HA . 11231 1 637 . 1 1 61 61 ALA HB1 H 1 0.438 0.030 . 1 . . . . 61 ALA HB . 11231 1 638 . 1 1 61 61 ALA HB2 H 1 0.438 0.030 . 1 . . . . 61 ALA HB . 11231 1 639 . 1 1 61 61 ALA HB3 H 1 0.438 0.030 . 1 . . . . 61 ALA HB . 11231 1 640 . 1 1 61 61 ALA C C 13 176.780 0.300 . 1 . . . . 61 ALA C . 11231 1 641 . 1 1 61 61 ALA CA C 13 49.916 0.300 . 1 . . . . 61 ALA CA . 11231 1 642 . 1 1 61 61 ALA CB C 13 20.601 0.300 . 1 . . . . 61 ALA CB . 11231 1 643 . 1 1 61 61 ALA N N 15 130.773 0.300 . 1 . . . . 61 ALA N . 11231 1 644 . 1 1 62 62 THR H H 1 8.247 0.030 . 1 . . . . 62 THR H . 11231 1 645 . 1 1 62 62 THR HA H 1 4.535 0.030 . 1 . . . . 62 THR HA . 11231 1 646 . 1 1 62 62 THR HB H 1 3.741 0.030 . 1 . . . . 62 THR HB . 11231 1 647 . 1 1 62 62 THR HG21 H 1 0.960 0.030 . 1 . . . . 62 THR HG2 . 11231 1 648 . 1 1 62 62 THR HG22 H 1 0.960 0.030 . 1 . . . . 62 THR HG2 . 11231 1 649 . 1 1 62 62 THR HG23 H 1 0.960 0.030 . 1 . . . . 62 THR HG2 . 11231 1 650 . 1 1 62 62 THR C C 13 172.697 0.300 . 1 . . . . 62 THR C . 11231 1 651 . 1 1 62 62 THR CA C 13 62.190 0.300 . 1 . . . . 62 THR CA . 11231 1 652 . 1 1 62 62 THR CB C 13 71.028 0.300 . 1 . . . . 62 THR CB . 11231 1 653 . 1 1 62 62 THR CG2 C 13 21.206 0.300 . 1 . . . . 62 THR CG2 . 11231 1 654 . 1 1 62 62 THR N N 15 115.166 0.300 . 1 . . . . 62 THR N . 11231 1 655 . 1 1 63 63 VAL H H 1 8.609 0.030 . 1 . . . . 63 VAL H . 11231 1 656 . 1 1 63 63 VAL HA H 1 5.037 0.030 . 1 . . . . 63 VAL HA . 11231 1 657 . 1 1 63 63 VAL HB H 1 1.422 0.030 . 1 . . . . 63 VAL HB . 11231 1 658 . 1 1 63 63 VAL HG11 H 1 0.419 0.030 . 1 . . . . 63 VAL HG1 . 11231 1 659 . 1 1 63 63 VAL HG12 H 1 0.419 0.030 . 1 . . . . 63 VAL HG1 . 11231 1 660 . 1 1 63 63 VAL HG13 H 1 0.419 0.030 . 1 . . . . 63 VAL HG1 . 11231 1 661 . 1 1 63 63 VAL HG21 H 1 0.266 0.030 . 1 . . . . 63 VAL HG2 . 11231 1 662 . 1 1 63 63 VAL HG22 H 1 0.266 0.030 . 1 . . . . 63 VAL HG2 . 11231 1 663 . 1 1 63 63 VAL HG23 H 1 0.266 0.030 . 1 . . . . 63 VAL HG2 . 11231 1 664 . 1 1 63 63 VAL C C 13 174.489 0.300 . 1 . . . . 63 VAL C . 11231 1 665 . 1 1 63 63 VAL CA C 13 59.267 0.300 . 1 . . . . 63 VAL CA . 11231 1 666 . 1 1 63 63 VAL CB C 13 33.786 0.300 . 1 . . . . 63 VAL CB . 11231 1 667 . 1 1 63 63 VAL CG1 C 13 21.985 0.300 . 2 . . . . 63 VAL CG1 . 11231 1 668 . 1 1 63 63 VAL CG2 C 13 20.954 0.300 . 2 . . . . 63 VAL CG2 . 11231 1 669 . 1 1 63 63 VAL N N 15 124.587 0.300 . 1 . . . . 63 VAL N . 11231 1 670 . 1 1 64 64 THR H H 1 8.653 0.030 . 1 . . . . 64 THR H . 11231 1 671 . 1 1 64 64 THR HA H 1 4.794 0.030 . 1 . . . . 64 THR HA . 11231 1 672 . 1 1 64 64 THR HB H 1 4.268 0.030 . 1 . . . . 64 THR HB . 11231 1 673 . 1 1 64 64 THR HG21 H 1 1.076 0.030 . 1 . . . . 64 THR HG2 . 11231 1 674 . 1 1 64 64 THR HG22 H 1 1.076 0.030 . 1 . . . . 64 THR HG2 . 11231 1 675 . 1 1 64 64 THR HG23 H 1 1.076 0.030 . 1 . . . . 64 THR HG2 . 11231 1 676 . 1 1 64 64 THR C C 13 174.184 0.300 . 1 . . . . 64 THR C . 11231 1 677 . 1 1 64 64 THR CA C 13 59.773 0.300 . 1 . . . . 64 THR CA . 11231 1 678 . 1 1 64 64 THR CB C 13 71.595 0.300 . 1 . . . . 64 THR CB . 11231 1 679 . 1 1 64 64 THR CG2 C 13 21.408 0.300 . 1 . . . . 64 THR CG2 . 11231 1 680 . 1 1 64 64 THR N N 15 116.265 0.300 . 1 . . . . 64 THR N . 11231 1 681 . 1 1 65 65 GLY H H 1 8.485 0.030 . 1 . . . . 65 GLY H . 11231 1 682 . 1 1 65 65 GLY HA2 H 1 3.806 0.030 . 2 . . . . 65 GLY HA2 . 11231 1 683 . 1 1 65 65 GLY HA3 H 1 4.149 0.030 . 2 . . . . 65 GLY HA3 . 11231 1 684 . 1 1 65 65 GLY C C 13 175.774 0.300 . 1 . . . . 65 GLY C . 11231 1 685 . 1 1 65 65 GLY CA C 13 46.245 0.300 . 1 . . . . 65 GLY CA . 11231 1 686 . 1 1 65 65 GLY N N 15 108.366 0.300 . 1 . . . . 65 GLY N . 11231 1 687 . 1 1 66 66 LEU H H 1 7.947 0.030 . 1 . . . . 66 LEU H . 11231 1 688 . 1 1 66 66 LEU HA H 1 3.878 0.030 . 1 . . . . 66 LEU HA . 11231 1 689 . 1 1 66 66 LEU HB2 H 1 1.277 0.030 . 2 . . . . 66 LEU HB2 . 11231 1 690 . 1 1 66 66 LEU HB3 H 1 1.346 0.030 . 2 . . . . 66 LEU HB3 . 11231 1 691 . 1 1 66 66 LEU HD11 H 1 0.295 0.030 . 1 . . . . 66 LEU HD1 . 11231 1 692 . 1 1 66 66 LEU HD12 H 1 0.295 0.030 . 1 . . . . 66 LEU HD1 . 11231 1 693 . 1 1 66 66 LEU HD13 H 1 0.295 0.030 . 1 . . . . 66 LEU HD1 . 11231 1 694 . 1 1 66 66 LEU HD21 H 1 0.031 0.030 . 1 . . . . 66 LEU HD2 . 11231 1 695 . 1 1 66 66 LEU HD22 H 1 0.031 0.030 . 1 . . . . 66 LEU HD2 . 11231 1 696 . 1 1 66 66 LEU HD23 H 1 0.031 0.030 . 1 . . . . 66 LEU HD2 . 11231 1 697 . 1 1 66 66 LEU HG H 1 1.110 0.030 . 1 . . . . 66 LEU HG . 11231 1 698 . 1 1 66 66 LEU C C 13 175.084 0.300 . 1 . . . . 66 LEU C . 11231 1 699 . 1 1 66 66 LEU CA C 13 55.731 0.300 . 1 . . . . 66 LEU CA . 11231 1 700 . 1 1 66 66 LEU CB C 13 42.275 0.300 . 1 . . . . 66 LEU CB . 11231 1 701 . 1 1 66 66 LEU CD1 C 13 25.802 0.300 . 2 . . . . 66 LEU CD1 . 11231 1 702 . 1 1 66 66 LEU CD2 C 13 21.924 0.300 . 2 . . . . 66 LEU CD2 . 11231 1 703 . 1 1 66 66 LEU CG C 13 26.738 0.300 . 1 . . . . 66 LEU CG . 11231 1 704 . 1 1 66 66 LEU N N 15 118.555 0.300 . 1 . . . . 66 LEU N . 11231 1 705 . 1 1 67 67 GLN H H 1 8.334 0.030 . 1 . . . . 67 GLN H . 11231 1 706 . 1 1 67 67 GLN HA H 1 4.543 0.030 . 1 . . . . 67 GLN HA . 11231 1 707 . 1 1 67 67 GLN HB2 H 1 2.243 0.030 . 2 . . . . 67 GLN HB2 . 11231 1 708 . 1 1 67 67 GLN HB3 H 1 1.894 0.030 . 2 . . . . 67 GLN HB3 . 11231 1 709 . 1 1 67 67 GLN HE21 H 1 7.548 0.030 . 2 . . . . 67 GLN HE21 . 11231 1 710 . 1 1 67 67 GLN HE22 H 1 6.851 0.030 . 2 . . . . 67 GLN HE22 . 11231 1 711 . 1 1 67 67 GLN HG2 H 1 2.307 0.030 . 2 . . . . 67 GLN HG2 . 11231 1 712 . 1 1 67 67 GLN HG3 H 1 2.394 0.030 . 2 . . . . 67 GLN HG3 . 11231 1 713 . 1 1 67 67 GLN C C 13 173.246 0.300 . 1 . . . . 67 GLN C . 11231 1 714 . 1 1 67 67 GLN CA C 13 53.239 0.300 . 1 . . . . 67 GLN CA . 11231 1 715 . 1 1 67 67 GLN CB C 13 32.714 0.300 . 1 . . . . 67 GLN CB . 11231 1 716 . 1 1 67 67 GLN CG C 13 33.542 0.300 . 1 . . . . 67 GLN CG . 11231 1 717 . 1 1 67 67 GLN N N 15 119.377 0.300 . 1 . . . . 67 GLN N . 11231 1 718 . 1 1 67 67 GLN NE2 N 15 112.519 0.300 . 1 . . . . 67 GLN NE2 . 11231 1 719 . 1 1 68 68 VAL H H 1 7.916 0.030 . 1 . . . . 68 VAL H . 11231 1 720 . 1 1 68 68 VAL HA H 1 3.589 0.030 . 1 . . . . 68 VAL HA . 11231 1 721 . 1 1 68 68 VAL HB H 1 1.915 0.030 . 1 . . . . 68 VAL HB . 11231 1 722 . 1 1 68 68 VAL HG11 H 1 1.029 0.030 . 1 . . . . 68 VAL HG1 . 11231 1 723 . 1 1 68 68 VAL HG12 H 1 1.029 0.030 . 1 . . . . 68 VAL HG1 . 11231 1 724 . 1 1 68 68 VAL HG13 H 1 1.029 0.030 . 1 . . . . 68 VAL HG1 . 11231 1 725 . 1 1 68 68 VAL HG21 H 1 1.021 0.030 . 1 . . . . 68 VAL HG2 . 11231 1 726 . 1 1 68 68 VAL HG22 H 1 1.021 0.030 . 1 . . . . 68 VAL HG2 . 11231 1 727 . 1 1 68 68 VAL HG23 H 1 1.021 0.030 . 1 . . . . 68 VAL HG2 . 11231 1 728 . 1 1 68 68 VAL C C 13 176.357 0.300 . 1 . . . . 68 VAL C . 11231 1 729 . 1 1 68 68 VAL CA C 13 64.226 0.300 . 1 . . . . 68 VAL CA . 11231 1 730 . 1 1 68 68 VAL CB C 13 31.974 0.300 . 1 . . . . 68 VAL CB . 11231 1 731 . 1 1 68 68 VAL CG1 C 13 23.074 0.300 . 2 . . . . 68 VAL CG1 . 11231 1 732 . 1 1 68 68 VAL CG2 C 13 21.030 0.300 . 2 . . . . 68 VAL CG2 . 11231 1 733 . 1 1 68 68 VAL N N 15 115.808 0.300 . 1 . . . . 68 VAL N . 11231 1 734 . 1 1 69 69 GLY H H 1 8.552 0.030 . 1 . . . . 69 GLY H . 11231 1 735 . 1 1 69 69 GLY HA2 H 1 4.182 0.030 . 2 . . . . 69 GLY HA2 . 11231 1 736 . 1 1 69 69 GLY HA3 H 1 3.843 0.030 . 2 . . . . 69 GLY HA3 . 11231 1 737 . 1 1 69 69 GLY C C 13 170.947 0.300 . 1 . . . . 69 GLY C . 11231 1 738 . 1 1 69 69 GLY CA C 13 44.323 0.300 . 1 . . . . 69 GLY CA . 11231 1 739 . 1 1 69 69 GLY N N 15 113.523 0.300 . 1 . . . . 69 GLY N . 11231 1 740 . 1 1 70 70 THR H H 1 8.032 0.030 . 1 . . . . 70 THR H . 11231 1 741 . 1 1 70 70 THR HA H 1 4.980 0.030 . 1 . . . . 70 THR HA . 11231 1 742 . 1 1 70 70 THR HB H 1 3.889 0.030 . 1 . . . . 70 THR HB . 11231 1 743 . 1 1 70 70 THR HG21 H 1 1.076 0.030 . 1 . . . . 70 THR HG2 . 11231 1 744 . 1 1 70 70 THR HG22 H 1 1.076 0.030 . 1 . . . . 70 THR HG2 . 11231 1 745 . 1 1 70 70 THR HG23 H 1 1.076 0.030 . 1 . . . . 70 THR HG2 . 11231 1 746 . 1 1 70 70 THR C C 13 173.138 0.300 . 1 . . . . 70 THR C . 11231 1 747 . 1 1 70 70 THR CA C 13 62.075 0.300 . 1 . . . . 70 THR CA . 11231 1 748 . 1 1 70 70 THR CB C 13 70.418 0.300 . 1 . . . . 70 THR CB . 11231 1 749 . 1 1 70 70 THR CG2 C 13 21.409 0.300 . 1 . . . . 70 THR CG2 . 11231 1 750 . 1 1 70 70 THR N N 15 114.183 0.300 . 1 . . . . 70 THR N . 11231 1 751 . 1 1 71 71 TYR H H 1 9.526 0.030 . 1 . . . . 71 TYR H . 11231 1 752 . 1 1 71 71 TYR HA H 1 4.819 0.030 . 1 . . . . 71 TYR HA . 11231 1 753 . 1 1 71 71 TYR HB2 H 1 3.091 0.030 . 2 . . . . 71 TYR HB2 . 11231 1 754 . 1 1 71 71 TYR HB3 H 1 2.439 0.030 . 2 . . . . 71 TYR HB3 . 11231 1 755 . 1 1 71 71 TYR HD1 H 1 6.985 0.030 . 1 . . . . 71 TYR HD1 . 11231 1 756 . 1 1 71 71 TYR HD2 H 1 6.985 0.030 . 1 . . . . 71 TYR HD2 . 11231 1 757 . 1 1 71 71 TYR HE1 H 1 7.121 0.030 . 1 . . . . 71 TYR HE1 . 11231 1 758 . 1 1 71 71 TYR HE2 H 1 7.121 0.030 . 1 . . . . 71 TYR HE2 . 11231 1 759 . 1 1 71 71 TYR C C 13 175.554 0.300 . 1 . . . . 71 TYR C . 11231 1 760 . 1 1 71 71 TYR CA C 13 56.026 0.300 . 1 . . . . 71 TYR CA . 11231 1 761 . 1 1 71 71 TYR CB C 13 42.836 0.300 . 1 . . . . 71 TYR CB . 11231 1 762 . 1 1 71 71 TYR CD1 C 13 132.722 0.300 . 1 . . . . 71 TYR CD1 . 11231 1 763 . 1 1 71 71 TYR CD2 C 13 132.722 0.300 . 1 . . . . 71 TYR CD2 . 11231 1 764 . 1 1 71 71 TYR CE1 C 13 118.790 0.300 . 1 . . . . 71 TYR CE1 . 11231 1 765 . 1 1 71 71 TYR CE2 C 13 118.790 0.300 . 1 . . . . 71 TYR CE2 . 11231 1 766 . 1 1 71 71 TYR N N 15 124.987 0.300 . 1 . . . . 71 TYR N . 11231 1 767 . 1 1 72 72 VAL H H 1 8.332 0.030 . 1 . . . . 72 VAL H . 11231 1 768 . 1 1 72 72 VAL HA H 1 4.936 0.030 . 1 . . . . 72 VAL HA . 11231 1 769 . 1 1 72 72 VAL HB H 1 1.659 0.030 . 1 . . . . 72 VAL HB . 11231 1 770 . 1 1 72 72 VAL HG11 H 1 0.870 0.030 . 1 . . . . 72 VAL HG1 . 11231 1 771 . 1 1 72 72 VAL HG12 H 1 0.870 0.030 . 1 . . . . 72 VAL HG1 . 11231 1 772 . 1 1 72 72 VAL HG13 H 1 0.870 0.030 . 1 . . . . 72 VAL HG1 . 11231 1 773 . 1 1 72 72 VAL HG21 H 1 0.877 0.030 . 1 . . . . 72 VAL HG2 . 11231 1 774 . 1 1 72 72 VAL HG22 H 1 0.877 0.030 . 1 . . . . 72 VAL HG2 . 11231 1 775 . 1 1 72 72 VAL HG23 H 1 0.877 0.030 . 1 . . . . 72 VAL HG2 . 11231 1 776 . 1 1 72 72 VAL C C 13 175.506 0.300 . 1 . . . . 72 VAL C . 11231 1 777 . 1 1 72 72 VAL CA C 13 61.767 0.300 . 1 . . . . 72 VAL CA . 11231 1 778 . 1 1 72 72 VAL CB C 13 34.558 0.300 . 1 . . . . 72 VAL CB . 11231 1 779 . 1 1 72 72 VAL CG1 C 13 21.166 0.300 . 2 . . . . 72 VAL CG1 . 11231 1 780 . 1 1 72 72 VAL CG2 C 13 20.200 0.300 . 2 . . . . 72 VAL CG2 . 11231 1 781 . 1 1 72 72 VAL N N 15 119.940 0.300 . 1 . . . . 72 VAL N . 11231 1 782 . 1 1 73 73 PHE H H 1 9.142 0.030 . 1 . . . . 73 PHE H . 11231 1 783 . 1 1 73 73 PHE HA H 1 5.598 0.030 . 1 . . . . 73 PHE HA . 11231 1 784 . 1 1 73 73 PHE HB2 H 1 3.216 0.030 . 2 . . . . 73 PHE HB2 . 11231 1 785 . 1 1 73 73 PHE HB3 H 1 3.013 0.030 . 2 . . . . 73 PHE HB3 . 11231 1 786 . 1 1 73 73 PHE HD1 H 1 7.060 0.030 . 1 . . . . 73 PHE HD1 . 11231 1 787 . 1 1 73 73 PHE HD2 H 1 7.060 0.030 . 1 . . . . 73 PHE HD2 . 11231 1 788 . 1 1 73 73 PHE HE1 H 1 6.906 0.030 . 1 . . . . 73 PHE HE1 . 11231 1 789 . 1 1 73 73 PHE HE2 H 1 6.906 0.030 . 1 . . . . 73 PHE HE2 . 11231 1 790 . 1 1 73 73 PHE HZ H 1 6.737 0.030 . 1 . . . . 73 PHE HZ . 11231 1 791 . 1 1 73 73 PHE C C 13 174.746 0.300 . 1 . . . . 73 PHE C . 11231 1 792 . 1 1 73 73 PHE CA C 13 56.284 0.300 . 1 . . . . 73 PHE CA . 11231 1 793 . 1 1 73 73 PHE CB C 13 42.667 0.300 . 1 . . . . 73 PHE CB . 11231 1 794 . 1 1 73 73 PHE CD1 C 13 132.231 0.300 . 1 . . . . 73 PHE CD1 . 11231 1 795 . 1 1 73 73 PHE CD2 C 13 132.231 0.300 . 1 . . . . 73 PHE CD2 . 11231 1 796 . 1 1 73 73 PHE CE1 C 13 130.030 0.300 . 1 . . . . 73 PHE CE1 . 11231 1 797 . 1 1 73 73 PHE CE2 C 13 130.030 0.300 . 1 . . . . 73 PHE CE2 . 11231 1 798 . 1 1 73 73 PHE CZ C 13 128.388 0.300 . 1 . . . . 73 PHE CZ . 11231 1 799 . 1 1 73 73 PHE N N 15 124.659 0.300 . 1 . . . . 73 PHE N . 11231 1 800 . 1 1 74 74 THR H H 1 9.608 0.030 . 1 . . . . 74 THR H . 11231 1 801 . 1 1 74 74 THR HA H 1 5.070 0.030 . 1 . . . . 74 THR HA . 11231 1 802 . 1 1 74 74 THR HB H 1 3.785 0.030 . 1 . . . . 74 THR HB . 11231 1 803 . 1 1 74 74 THR HG21 H 1 1.050 0.030 . 1 . . . . 74 THR HG2 . 11231 1 804 . 1 1 74 74 THR HG22 H 1 1.050 0.030 . 1 . . . . 74 THR HG2 . 11231 1 805 . 1 1 74 74 THR HG23 H 1 1.050 0.030 . 1 . . . . 74 THR HG2 . 11231 1 806 . 1 1 74 74 THR C C 13 172.095 0.300 . 1 . . . . 74 THR C . 11231 1 807 . 1 1 74 74 THR CA C 13 62.049 0.300 . 1 . . . . 74 THR CA . 11231 1 808 . 1 1 74 74 THR CB C 13 71.416 0.300 . 1 . . . . 74 THR CB . 11231 1 809 . 1 1 74 74 THR CG2 C 13 21.333 0.300 . 1 . . . . 74 THR CG2 . 11231 1 810 . 1 1 74 74 THR N N 15 118.168 0.300 . 1 . . . . 74 THR N . 11231 1 811 . 1 1 75 75 LEU H H 1 9.220 0.030 . 1 . . . . 75 LEU H . 11231 1 812 . 1 1 75 75 LEU HA H 1 4.518 0.030 . 1 . . . . 75 LEU HA . 11231 1 813 . 1 1 75 75 LEU HB2 H 1 -0.617 0.030 . 2 . . . . 75 LEU HB2 . 11231 1 814 . 1 1 75 75 LEU HB3 H 1 1.024 0.030 . 2 . . . . 75 LEU HB3 . 11231 1 815 . 1 1 75 75 LEU HD11 H 1 -0.216 0.030 . 1 . . . . 75 LEU HD1 . 11231 1 816 . 1 1 75 75 LEU HD12 H 1 -0.216 0.030 . 1 . . . . 75 LEU HD1 . 11231 1 817 . 1 1 75 75 LEU HD13 H 1 -0.216 0.030 . 1 . . . . 75 LEU HD1 . 11231 1 818 . 1 1 75 75 LEU HD21 H 1 0.478 0.030 . 1 . . . . 75 LEU HD2 . 11231 1 819 . 1 1 75 75 LEU HD22 H 1 0.478 0.030 . 1 . . . . 75 LEU HD2 . 11231 1 820 . 1 1 75 75 LEU HD23 H 1 0.478 0.030 . 1 . . . . 75 LEU HD2 . 11231 1 821 . 1 1 75 75 LEU HG H 1 0.842 0.030 . 1 . . . . 75 LEU HG . 11231 1 822 . 1 1 75 75 LEU C C 13 175.082 0.300 . 1 . . . . 75 LEU C . 11231 1 823 . 1 1 75 75 LEU CA C 13 52.840 0.300 . 1 . . . . 75 LEU CA . 11231 1 824 . 1 1 75 75 LEU CB C 13 43.137 0.300 . 1 . . . . 75 LEU CB . 11231 1 825 . 1 1 75 75 LEU CD1 C 13 20.231 0.300 . 2 . . . . 75 LEU CD1 . 11231 1 826 . 1 1 75 75 LEU CD2 C 13 26.792 0.300 . 2 . . . . 75 LEU CD2 . 11231 1 827 . 1 1 75 75 LEU CG C 13 26.784 0.300 . 1 . . . . 75 LEU CG . 11231 1 828 . 1 1 75 75 LEU N N 15 131.152 0.300 . 1 . . . . 75 LEU N . 11231 1 829 . 1 1 76 76 THR H H 1 9.129 0.030 . 1 . . . . 76 THR H . 11231 1 830 . 1 1 76 76 THR HA H 1 4.963 0.030 . 1 . . . . 76 THR HA . 11231 1 831 . 1 1 76 76 THR HB H 1 3.859 0.030 . 1 . . . . 76 THR HB . 11231 1 832 . 1 1 76 76 THR HG21 H 1 1.012 0.030 . 1 . . . . 76 THR HG2 . 11231 1 833 . 1 1 76 76 THR HG22 H 1 1.012 0.030 . 1 . . . . 76 THR HG2 . 11231 1 834 . 1 1 76 76 THR HG23 H 1 1.012 0.030 . 1 . . . . 76 THR HG2 . 11231 1 835 . 1 1 76 76 THR C C 13 174.960 0.300 . 1 . . . . 76 THR C . 11231 1 836 . 1 1 76 76 THR CA C 13 61.867 0.300 . 1 . . . . 76 THR CA . 11231 1 837 . 1 1 76 76 THR CB C 13 69.867 0.300 . 1 . . . . 76 THR CB . 11231 1 838 . 1 1 76 76 THR CG2 C 13 21.012 0.300 . 1 . . . . 76 THR CG2 . 11231 1 839 . 1 1 76 76 THR N N 15 123.237 0.300 . 1 . . . . 76 THR N . 11231 1 840 . 1 1 77 77 VAL H H 1 8.936 0.030 . 1 . . . . 77 VAL H . 11231 1 841 . 1 1 77 77 VAL HA H 1 5.039 0.030 . 1 . . . . 77 VAL HA . 11231 1 842 . 1 1 77 77 VAL HB H 1 1.823 0.030 . 1 . . . . 77 VAL HB . 11231 1 843 . 1 1 77 77 VAL HG11 H 1 0.611 0.030 . 1 . . . . 77 VAL HG1 . 11231 1 844 . 1 1 77 77 VAL HG12 H 1 0.611 0.030 . 1 . . . . 77 VAL HG1 . 11231 1 845 . 1 1 77 77 VAL HG13 H 1 0.611 0.030 . 1 . . . . 77 VAL HG1 . 11231 1 846 . 1 1 77 77 VAL HG21 H 1 0.624 0.030 . 1 . . . . 77 VAL HG2 . 11231 1 847 . 1 1 77 77 VAL HG22 H 1 0.624 0.030 . 1 . . . . 77 VAL HG2 . 11231 1 848 . 1 1 77 77 VAL HG23 H 1 0.624 0.030 . 1 . . . . 77 VAL HG2 . 11231 1 849 . 1 1 77 77 VAL CA C 13 58.284 0.300 . 1 . . . . 77 VAL CA . 11231 1 850 . 1 1 77 77 VAL CB C 13 34.331 0.300 . 1 . . . . 77 VAL CB . 11231 1 851 . 1 1 77 77 VAL CG1 C 13 21.924 0.300 . 2 . . . . 77 VAL CG1 . 11231 1 852 . 1 1 77 77 VAL CG2 C 13 19.614 0.300 . 2 . . . . 77 VAL CG2 . 11231 1 853 . 1 1 77 77 VAL N N 15 122.799 0.300 . 1 . . . . 77 VAL N . 11231 1 854 . 1 1 78 78 LYS H H 1 7.613 0.030 . 1 . . . . 78 LYS H . 11231 1 855 . 1 1 78 78 LYS HA H 1 5.121 0.030 . 1 . . . . 78 LYS HA . 11231 1 856 . 1 1 78 78 LYS HB2 H 1 1.513 0.030 . 2 . . . . 78 LYS HB2 . 11231 1 857 . 1 1 78 78 LYS HB3 H 1 1.642 0.030 . 2 . . . . 78 LYS HB3 . 11231 1 858 . 1 1 78 78 LYS HD2 H 1 1.601 0.030 . 2 . . . . 78 LYS HD2 . 11231 1 859 . 1 1 78 78 LYS HD3 H 1 1.507 0.030 . 2 . . . . 78 LYS HD3 . 11231 1 860 . 1 1 78 78 LYS HE2 H 1 2.832 0.030 . 1 . . . . 78 LYS HE2 . 11231 1 861 . 1 1 78 78 LYS HE3 H 1 2.832 0.030 . 1 . . . . 78 LYS HE3 . 11231 1 862 . 1 1 78 78 LYS HG2 H 1 1.318 0.030 . 2 . . . . 78 LYS HG2 . 11231 1 863 . 1 1 78 78 LYS HG3 H 1 1.181 0.030 . 2 . . . . 78 LYS HG3 . 11231 1 864 . 1 1 78 78 LYS C C 13 175.643 0.300 . 1 . . . . 78 LYS C . 11231 1 865 . 1 1 78 78 LYS CA C 13 54.450 0.300 . 1 . . . . 78 LYS CA . 11231 1 866 . 1 1 78 78 LYS CB C 13 35.917 0.300 . 1 . . . . 78 LYS CB . 11231 1 867 . 1 1 78 78 LYS CD C 13 29.339 0.300 . 1 . . . . 78 LYS CD . 11231 1 868 . 1 1 78 78 LYS CE C 13 41.849 0.300 . 1 . . . . 78 LYS CE . 11231 1 869 . 1 1 78 78 LYS CG C 13 25.142 0.300 . 1 . . . . 78 LYS CG . 11231 1 870 . 1 1 78 78 LYS N N 15 120.135 0.300 . 1 . . . . 78 LYS N . 11231 1 871 . 1 1 79 79 ASP H H 1 8.171 0.030 . 1 . . . . 79 ASP H . 11231 1 872 . 1 1 79 79 ASP HA H 1 5.093 0.030 . 1 . . . . 79 ASP HA . 11231 1 873 . 1 1 79 79 ASP HB2 H 1 3.225 0.030 . 2 . . . . 79 ASP HB2 . 11231 1 874 . 1 1 79 79 ASP HB3 H 1 2.564 0.030 . 2 . . . . 79 ASP HB3 . 11231 1 875 . 1 1 79 79 ASP C C 13 178.110 0.300 . 1 . . . . 79 ASP C . 11231 1 876 . 1 1 79 79 ASP CA C 13 52.376 0.300 . 1 . . . . 79 ASP CA . 11231 1 877 . 1 1 79 79 ASP CB C 13 42.808 0.300 . 1 . . . . 79 ASP CB . 11231 1 878 . 1 1 79 79 ASP N N 15 124.172 0.300 . 1 . . . . 79 ASP N . 11231 1 879 . 1 1 80 80 GLU H H 1 8.287 0.030 . 1 . . . . 80 GLU H . 11231 1 880 . 1 1 80 80 GLU HA H 1 4.111 0.030 . 1 . . . . 80 GLU HA . 11231 1 881 . 1 1 80 80 GLU HB2 H 1 2.153 0.030 . 2 . . . . 80 GLU HB2 . 11231 1 882 . 1 1 80 80 GLU HB3 H 1 2.014 0.030 . 2 . . . . 80 GLU HB3 . 11231 1 883 . 1 1 80 80 GLU HG2 H 1 2.234 0.030 . 2 . . . . 80 GLU HG2 . 11231 1 884 . 1 1 80 80 GLU HG3 H 1 2.301 0.030 . 2 . . . . 80 GLU HG3 . 11231 1 885 . 1 1 80 80 GLU C C 13 177.035 0.300 . 1 . . . . 80 GLU C . 11231 1 886 . 1 1 80 80 GLU CA C 13 58.182 0.300 . 1 . . . . 80 GLU CA . 11231 1 887 . 1 1 80 80 GLU CB C 13 29.565 0.300 . 1 . . . . 80 GLU CB . 11231 1 888 . 1 1 80 80 GLU CG C 13 36.200 0.300 . 1 . . . . 80 GLU CG . 11231 1 889 . 1 1 81 81 ARG H H 1 8.313 0.030 . 1 . . . . 81 ARG H . 11231 1 890 . 1 1 81 81 ARG HA H 1 4.391 0.030 . 1 . . . . 81 ARG HA . 11231 1 891 . 1 1 81 81 ARG HB2 H 1 2.007 0.030 . 1 . . . . 81 ARG HB2 . 11231 1 892 . 1 1 81 81 ARG HB3 H 1 2.007 0.030 . 1 . . . . 81 ARG HB3 . 11231 1 893 . 1 1 81 81 ARG HD2 H 1 3.159 0.030 . 2 . . . . 81 ARG HD2 . 11231 1 894 . 1 1 81 81 ARG HD3 H 1 3.226 0.030 . 2 . . . . 81 ARG HD3 . 11231 1 895 . 1 1 81 81 ARG HG2 H 1 1.619 0.030 . 2 . . . . 81 ARG HG2 . 11231 1 896 . 1 1 81 81 ARG HG3 H 1 1.588 0.030 . 2 . . . . 81 ARG HG3 . 11231 1 897 . 1 1 81 81 ARG C C 13 175.606 0.300 . 1 . . . . 81 ARG C . 11231 1 898 . 1 1 81 81 ARG CA C 13 55.567 0.300 . 1 . . . . 81 ARG CA . 11231 1 899 . 1 1 81 81 ARG CB C 13 29.481 0.300 . 1 . . . . 81 ARG CB . 11231 1 900 . 1 1 81 81 ARG CD C 13 43.415 0.300 . 1 . . . . 81 ARG CD . 11231 1 901 . 1 1 81 81 ARG CG C 13 27.355 0.300 . 1 . . . . 81 ARG CG . 11231 1 902 . 1 1 81 81 ARG N N 15 120.564 0.300 . 1 . . . . 81 ARG N . 11231 1 903 . 1 1 82 82 ASN H H 1 8.466 0.030 . 1 . . . . 82 ASN H . 11231 1 904 . 1 1 82 82 ASN HA H 1 4.168 0.030 . 1 . . . . 82 ASN HA . 11231 1 905 . 1 1 82 82 ASN HB2 H 1 2.934 0.030 . 2 . . . . 82 ASN HB2 . 11231 1 906 . 1 1 82 82 ASN HB3 H 1 3.106 0.030 . 2 . . . . 82 ASN HB3 . 11231 1 907 . 1 1 82 82 ASN HD21 H 1 7.463 0.030 . 2 . . . . 82 ASN HD21 . 11231 1 908 . 1 1 82 82 ASN HD22 H 1 6.768 0.030 . 2 . . . . 82 ASN HD22 . 11231 1 909 . 1 1 82 82 ASN C C 13 174.160 0.300 . 1 . . . . 82 ASN C . 11231 1 910 . 1 1 82 82 ASN CA C 13 54.661 0.300 . 1 . . . . 82 ASN CA . 11231 1 911 . 1 1 82 82 ASN CB C 13 37.339 0.300 . 1 . . . . 82 ASN CB . 11231 1 912 . 1 1 82 82 ASN N N 15 114.128 0.300 . 1 . . . . 82 ASN N . 11231 1 913 . 1 1 82 82 ASN ND2 N 15 112.585 0.300 . 1 . . . . 82 ASN ND2 . 11231 1 914 . 1 1 83 83 LEU H H 1 8.329 0.030 . 1 . . . . 83 LEU H . 11231 1 915 . 1 1 83 83 LEU HA H 1 4.444 0.030 . 1 . . . . 83 LEU HA . 11231 1 916 . 1 1 83 83 LEU HB2 H 1 1.508 0.030 . 2 . . . . 83 LEU HB2 . 11231 1 917 . 1 1 83 83 LEU HB3 H 1 1.776 0.030 . 2 . . . . 83 LEU HB3 . 11231 1 918 . 1 1 83 83 LEU HD11 H 1 0.899 0.030 . 1 . . . . 83 LEU HD1 . 11231 1 919 . 1 1 83 83 LEU HD12 H 1 0.899 0.030 . 1 . . . . 83 LEU HD1 . 11231 1 920 . 1 1 83 83 LEU HD13 H 1 0.899 0.030 . 1 . . . . 83 LEU HD1 . 11231 1 921 . 1 1 83 83 LEU HD21 H 1 0.834 0.030 . 1 . . . . 83 LEU HD2 . 11231 1 922 . 1 1 83 83 LEU HD22 H 1 0.834 0.030 . 1 . . . . 83 LEU HD2 . 11231 1 923 . 1 1 83 83 LEU HD23 H 1 0.834 0.030 . 1 . . . . 83 LEU HD2 . 11231 1 924 . 1 1 83 83 LEU HG H 1 1.494 0.030 . 1 . . . . 83 LEU HG . 11231 1 925 . 1 1 83 83 LEU C C 13 177.058 0.300 . 1 . . . . 83 LEU C . 11231 1 926 . 1 1 83 83 LEU CA C 13 54.976 0.300 . 1 . . . . 83 LEU CA . 11231 1 927 . 1 1 83 83 LEU CB C 13 41.450 0.300 . 1 . . . . 83 LEU CB . 11231 1 928 . 1 1 83 83 LEU CD1 C 13 24.609 0.300 . 2 . . . . 83 LEU CD1 . 11231 1 929 . 1 1 83 83 LEU CD2 C 13 23.604 0.300 . 2 . . . . 83 LEU CD2 . 11231 1 930 . 1 1 83 83 LEU CG C 13 26.825 0.300 . 1 . . . . 83 LEU CG . 11231 1 931 . 1 1 83 83 LEU N N 15 121.375 0.300 . 1 . . . . 83 LEU N . 11231 1 932 . 1 1 84 84 GLN H H 1 8.681 0.030 . 1 . . . . 84 GLN H . 11231 1 933 . 1 1 84 84 GLN HA H 1 5.539 0.030 . 1 . . . . 84 GLN HA . 11231 1 934 . 1 1 84 84 GLN HB2 H 1 1.883 0.030 . 1 . . . . 84 GLN HB2 . 11231 1 935 . 1 1 84 84 GLN HB3 H 1 1.883 0.030 . 1 . . . . 84 GLN HB3 . 11231 1 936 . 1 1 84 84 GLN HE21 H 1 7.436 0.030 . 2 . . . . 84 GLN HE21 . 11231 1 937 . 1 1 84 84 GLN HE22 H 1 6.812 0.030 . 2 . . . . 84 GLN HE22 . 11231 1 938 . 1 1 84 84 GLN HG2 H 1 2.082 0.030 . 2 . . . . 84 GLN HG2 . 11231 1 939 . 1 1 84 84 GLN HG3 H 1 2.157 0.030 . 2 . . . . 84 GLN HG3 . 11231 1 940 . 1 1 84 84 GLN C C 13 175.451 0.300 . 1 . . . . 84 GLN C . 11231 1 941 . 1 1 84 84 GLN CA C 13 54.300 0.300 . 1 . . . . 84 GLN CA . 11231 1 942 . 1 1 84 84 GLN CB C 13 32.241 0.300 . 1 . . . . 84 GLN CB . 11231 1 943 . 1 1 84 84 GLN CG C 13 34.839 0.300 . 1 . . . . 84 GLN CG . 11231 1 944 . 1 1 84 84 GLN N N 15 124.619 0.300 . 1 . . . . 84 GLN N . 11231 1 945 . 1 1 84 84 GLN NE2 N 15 111.897 0.300 . 1 . . . . 84 GLN NE2 . 11231 1 946 . 1 1 85 85 SER H H 1 8.678 0.030 . 1 . . . . 85 SER H . 11231 1 947 . 1 1 85 85 SER HA H 1 4.703 0.030 . 1 . . . . 85 SER HA . 11231 1 948 . 1 1 85 85 SER HB2 H 1 3.861 0.030 . 1 . . . . 85 SER HB2 . 11231 1 949 . 1 1 85 85 SER HB3 H 1 3.861 0.030 . 1 . . . . 85 SER HB3 . 11231 1 950 . 1 1 85 85 SER C C 13 172.487 0.300 . 1 . . . . 85 SER C . 11231 1 951 . 1 1 85 85 SER CA C 13 57.549 0.300 . 1 . . . . 85 SER CA . 11231 1 952 . 1 1 85 85 SER CB C 13 65.557 0.300 . 1 . . . . 85 SER CB . 11231 1 953 . 1 1 85 85 SER N N 15 117.098 0.300 . 1 . . . . 85 SER N . 11231 1 954 . 1 1 86 86 GLN H H 1 8.549 0.030 . 1 . . . . 86 GLN H . 11231 1 955 . 1 1 86 86 GLN HA H 1 5.838 0.030 . 1 . . . . 86 GLN HA . 11231 1 956 . 1 1 86 86 GLN HB2 H 1 1.853 0.030 . 2 . . . . 86 GLN HB2 . 11231 1 957 . 1 1 86 86 GLN HB3 H 1 1.783 0.030 . 2 . . . . 86 GLN HB3 . 11231 1 958 . 1 1 86 86 GLN HE21 H 1 7.506 0.030 . 2 . . . . 86 GLN HE21 . 11231 1 959 . 1 1 86 86 GLN HE22 H 1 6.857 0.030 . 2 . . . . 86 GLN HE22 . 11231 1 960 . 1 1 86 86 GLN HG2 H 1 2.388 0.030 . 2 . . . . 86 GLN HG2 . 11231 1 961 . 1 1 86 86 GLN HG3 H 1 2.185 0.030 . 2 . . . . 86 GLN HG3 . 11231 1 962 . 1 1 86 86 GLN C C 13 175.539 0.300 . 1 . . . . 86 GLN C . 11231 1 963 . 1 1 86 86 GLN CA C 13 54.005 0.300 . 1 . . . . 86 GLN CA . 11231 1 964 . 1 1 86 86 GLN CB C 13 34.257 0.300 . 1 . . . . 86 GLN CB . 11231 1 965 . 1 1 86 86 GLN CG C 13 34.355 0.300 . 1 . . . . 86 GLN CG . 11231 1 966 . 1 1 86 86 GLN N N 15 118.107 0.300 . 1 . . . . 86 GLN N . 11231 1 967 . 1 1 86 86 GLN NE2 N 15 113.258 0.300 . 1 . . . . 86 GLN NE2 . 11231 1 968 . 1 1 87 87 SER H H 1 8.698 0.030 . 1 . . . . 87 SER H . 11231 1 969 . 1 1 87 87 SER HA H 1 4.664 0.030 . 1 . . . . 87 SER HA . 11231 1 970 . 1 1 87 87 SER HB2 H 1 3.170 0.030 . 2 . . . . 87 SER HB2 . 11231 1 971 . 1 1 87 87 SER HB3 H 1 3.773 0.030 . 2 . . . . 87 SER HB3 . 11231 1 972 . 1 1 87 87 SER C C 13 172.558 0.300 . 1 . . . . 87 SER C . 11231 1 973 . 1 1 87 87 SER CA C 13 57.001 0.300 . 1 . . . . 87 SER CA . 11231 1 974 . 1 1 87 87 SER CB C 13 63.993 0.300 . 1 . . . . 87 SER CB . 11231 1 975 . 1 1 87 87 SER N N 15 116.551 0.300 . 1 . . . . 87 SER N . 11231 1 976 . 1 1 88 88 SER H H 1 8.544 0.030 . 1 . . . . 88 SER H . 11231 1 977 . 1 1 88 88 SER HA H 1 5.895 0.030 . 1 . . . . 88 SER HA . 11231 1 978 . 1 1 88 88 SER HB2 H 1 3.806 0.030 . 2 . . . . 88 SER HB2 . 11231 1 979 . 1 1 88 88 SER HB3 H 1 3.698 0.030 . 2 . . . . 88 SER HB3 . 11231 1 980 . 1 1 88 88 SER C C 13 172.175 0.300 . 1 . . . . 88 SER C . 11231 1 981 . 1 1 88 88 SER CA C 13 57.456 0.300 . 1 . . . . 88 SER CA . 11231 1 982 . 1 1 88 88 SER CB C 13 66.751 0.300 . 1 . . . . 88 SER CB . 11231 1 983 . 1 1 88 88 SER N N 15 120.201 0.300 . 1 . . . . 88 SER N . 11231 1 984 . 1 1 89 89 VAL H H 1 9.438 0.030 . 1 . . . . 89 VAL H . 11231 1 985 . 1 1 89 89 VAL HA H 1 4.681 0.030 . 1 . . . . 89 VAL HA . 11231 1 986 . 1 1 89 89 VAL HB H 1 2.088 0.030 . 1 . . . . 89 VAL HB . 11231 1 987 . 1 1 89 89 VAL HG11 H 1 1.087 0.030 . 1 . . . . 89 VAL HG1 . 11231 1 988 . 1 1 89 89 VAL HG12 H 1 1.087 0.030 . 1 . . . . 89 VAL HG1 . 11231 1 989 . 1 1 89 89 VAL HG13 H 1 1.087 0.030 . 1 . . . . 89 VAL HG1 . 11231 1 990 . 1 1 89 89 VAL HG21 H 1 1.217 0.030 . 1 . . . . 89 VAL HG2 . 11231 1 991 . 1 1 89 89 VAL HG22 H 1 1.217 0.030 . 1 . . . . 89 VAL HG2 . 11231 1 992 . 1 1 89 89 VAL HG23 H 1 1.217 0.030 . 1 . . . . 89 VAL HG2 . 11231 1 993 . 1 1 89 89 VAL C C 13 172.295 0.300 . 1 . . . . 89 VAL C . 11231 1 994 . 1 1 89 89 VAL CA C 13 60.192 0.300 . 1 . . . . 89 VAL CA . 11231 1 995 . 1 1 89 89 VAL CB C 13 35.480 0.300 . 1 . . . . 89 VAL CB . 11231 1 996 . 1 1 89 89 VAL CG1 C 13 22.983 0.300 . 2 . . . . 89 VAL CG1 . 11231 1 997 . 1 1 89 89 VAL CG2 C 13 20.860 0.300 . 2 . . . . 89 VAL CG2 . 11231 1 998 . 1 1 89 89 VAL N N 15 122.214 0.300 . 1 . . . . 89 VAL N . 11231 1 999 . 1 1 90 90 ASN H H 1 8.509 0.030 . 1 . . . . 90 ASN H . 11231 1 1000 . 1 1 90 90 ASN HA H 1 5.713 0.030 . 1 . . . . 90 ASN HA . 11231 1 1001 . 1 1 90 90 ASN HB2 H 1 2.636 0.030 . 2 . . . . 90 ASN HB2 . 11231 1 1002 . 1 1 90 90 ASN HB3 H 1 2.463 0.030 . 2 . . . . 90 ASN HB3 . 11231 1 1003 . 1 1 90 90 ASN HD21 H 1 6.620 0.030 . 2 . . . . 90 ASN HD21 . 11231 1 1004 . 1 1 90 90 ASN HD22 H 1 7.863 0.030 . 2 . . . . 90 ASN HD22 . 11231 1 1005 . 1 1 90 90 ASN C C 13 174.778 0.300 . 1 . . . . 90 ASN C . 11231 1 1006 . 1 1 90 90 ASN CA C 13 52.073 0.300 . 1 . . . . 90 ASN CA . 11231 1 1007 . 1 1 90 90 ASN CB C 13 40.525 0.300 . 1 . . . . 90 ASN CB . 11231 1 1008 . 1 1 90 90 ASN N N 15 124.416 0.300 . 1 . . . . 90 ASN N . 11231 1 1009 . 1 1 90 90 ASN ND2 N 15 114.264 0.300 . 1 . . . . 90 ASN ND2 . 11231 1 1010 . 1 1 91 91 VAL H H 1 9.156 0.030 . 1 . . . . 91 VAL H . 11231 1 1011 . 1 1 91 91 VAL HA H 1 4.890 0.030 . 1 . . . . 91 VAL HA . 11231 1 1012 . 1 1 91 91 VAL HB H 1 2.130 0.030 . 1 . . . . 91 VAL HB . 11231 1 1013 . 1 1 91 91 VAL HG11 H 1 0.932 0.030 . 1 . . . . 91 VAL HG1 . 11231 1 1014 . 1 1 91 91 VAL HG12 H 1 0.932 0.030 . 1 . . . . 91 VAL HG1 . 11231 1 1015 . 1 1 91 91 VAL HG13 H 1 0.932 0.030 . 1 . . . . 91 VAL HG1 . 11231 1 1016 . 1 1 91 91 VAL HG21 H 1 0.736 0.030 . 1 . . . . 91 VAL HG2 . 11231 1 1017 . 1 1 91 91 VAL HG22 H 1 0.736 0.030 . 1 . . . . 91 VAL HG2 . 11231 1 1018 . 1 1 91 91 VAL HG23 H 1 0.736 0.030 . 1 . . . . 91 VAL HG2 . 11231 1 1019 . 1 1 91 91 VAL C C 13 173.917 0.300 . 1 . . . . 91 VAL C . 11231 1 1020 . 1 1 91 91 VAL CA C 13 61.358 0.300 . 1 . . . . 91 VAL CA . 11231 1 1021 . 1 1 91 91 VAL CB C 13 35.241 0.300 . 1 . . . . 91 VAL CB . 11231 1 1022 . 1 1 91 91 VAL CG1 C 13 21.459 0.300 . 2 . . . . 91 VAL CG1 . 11231 1 1023 . 1 1 91 91 VAL CG2 C 13 21.081 0.300 . 2 . . . . 91 VAL CG2 . 11231 1 1024 . 1 1 91 91 VAL N N 15 122.378 0.300 . 1 . . . . 91 VAL N . 11231 1 1025 . 1 1 92 92 ILE H H 1 8.832 0.030 . 1 . . . . 92 ILE H . 11231 1 1026 . 1 1 92 92 ILE HA H 1 4.853 0.030 . 1 . . . . 92 ILE HA . 11231 1 1027 . 1 1 92 92 ILE HB H 1 1.873 0.030 . 1 . . . . 92 ILE HB . 11231 1 1028 . 1 1 92 92 ILE HD11 H 1 0.947 0.030 . 1 . . . . 92 ILE HD1 . 11231 1 1029 . 1 1 92 92 ILE HD12 H 1 0.947 0.030 . 1 . . . . 92 ILE HD1 . 11231 1 1030 . 1 1 92 92 ILE HD13 H 1 0.947 0.030 . 1 . . . . 92 ILE HD1 . 11231 1 1031 . 1 1 92 92 ILE HG12 H 1 1.637 0.030 . 2 . . . . 92 ILE HG12 . 11231 1 1032 . 1 1 92 92 ILE HG13 H 1 1.365 0.030 . 2 . . . . 92 ILE HG13 . 11231 1 1033 . 1 1 92 92 ILE HG21 H 1 0.945 0.030 . 1 . . . . 92 ILE HG2 . 11231 1 1034 . 1 1 92 92 ILE HG22 H 1 0.945 0.030 . 1 . . . . 92 ILE HG2 . 11231 1 1035 . 1 1 92 92 ILE HG23 H 1 0.945 0.030 . 1 . . . . 92 ILE HG2 . 11231 1 1036 . 1 1 92 92 ILE C C 13 174.315 0.300 . 1 . . . . 92 ILE C . 11231 1 1037 . 1 1 92 92 ILE CA C 13 60.818 0.300 . 1 . . . . 92 ILE CA . 11231 1 1038 . 1 1 92 92 ILE CB C 13 40.457 0.300 . 1 . . . . 92 ILE CB . 11231 1 1039 . 1 1 92 92 ILE CD1 C 13 14.169 0.300 . 1 . . . . 92 ILE CD1 . 11231 1 1040 . 1 1 92 92 ILE CG1 C 13 28.847 0.300 . 1 . . . . 92 ILE CG1 . 11231 1 1041 . 1 1 92 92 ILE CG2 C 13 18.215 0.300 . 1 . . . . 92 ILE CG2 . 11231 1 1042 . 1 1 92 92 ILE N N 15 129.389 0.300 . 1 . . . . 92 ILE N . 11231 1 1043 . 1 1 93 93 VAL H H 1 9.198 0.030 . 1 . . . . 93 VAL H . 11231 1 1044 . 1 1 93 93 VAL HA H 1 4.821 0.030 . 1 . . . . 93 VAL HA . 11231 1 1045 . 1 1 93 93 VAL HB H 1 2.675 0.030 . 1 . . . . 93 VAL HB . 11231 1 1046 . 1 1 93 93 VAL HG11 H 1 0.925 0.030 . 1 . . . . 93 VAL HG1 . 11231 1 1047 . 1 1 93 93 VAL HG12 H 1 0.925 0.030 . 1 . . . . 93 VAL HG1 . 11231 1 1048 . 1 1 93 93 VAL HG13 H 1 0.925 0.030 . 1 . . . . 93 VAL HG1 . 11231 1 1049 . 1 1 93 93 VAL HG21 H 1 0.608 0.030 . 1 . . . . 93 VAL HG2 . 11231 1 1050 . 1 1 93 93 VAL HG22 H 1 0.608 0.030 . 1 . . . . 93 VAL HG2 . 11231 1 1051 . 1 1 93 93 VAL HG23 H 1 0.608 0.030 . 1 . . . . 93 VAL HG2 . 11231 1 1052 . 1 1 93 93 VAL C C 13 176.224 0.300 . 1 . . . . 93 VAL C . 11231 1 1053 . 1 1 93 93 VAL CA C 13 61.178 0.300 . 1 . . . . 93 VAL CA . 11231 1 1054 . 1 1 93 93 VAL CB C 13 32.245 0.300 . 1 . . . . 93 VAL CB . 11231 1 1055 . 1 1 93 93 VAL CG1 C 13 22.393 0.300 . 2 . . . . 93 VAL CG1 . 11231 1 1056 . 1 1 93 93 VAL CG2 C 13 21.284 0.300 . 2 . . . . 93 VAL CG2 . 11231 1 1057 . 1 1 93 93 VAL N N 15 128.105 0.300 . 1 . . . . 93 VAL N . 11231 1 1058 . 1 1 94 94 LYS H H 1 9.141 0.030 . 1 . . . . 94 LYS H . 11231 1 1059 . 1 1 94 94 LYS HA H 1 4.785 0.030 . 1 . . . . 94 LYS HA . 11231 1 1060 . 1 1 94 94 LYS HB2 H 1 1.916 0.030 . 1 . . . . 94 LYS HB2 . 11231 1 1061 . 1 1 94 94 LYS HB3 H 1 1.916 0.030 . 1 . . . . 94 LYS HB3 . 11231 1 1062 . 1 1 94 94 LYS HD2 H 1 1.645 0.030 . 1 . . . . 94 LYS HD2 . 11231 1 1063 . 1 1 94 94 LYS HD3 H 1 1.645 0.030 . 1 . . . . 94 LYS HD3 . 11231 1 1064 . 1 1 94 94 LYS HE2 H 1 2.887 0.030 . 1 . . . . 94 LYS HE2 . 11231 1 1065 . 1 1 94 94 LYS HE3 H 1 2.887 0.030 . 1 . . . . 94 LYS HE3 . 11231 1 1066 . 1 1 94 94 LYS HG2 H 1 1.463 0.030 . 2 . . . . 94 LYS HG2 . 11231 1 1067 . 1 1 94 94 LYS HG3 H 1 1.411 0.030 . 2 . . . . 94 LYS HG3 . 11231 1 1068 . 1 1 94 94 LYS C C 13 174.951 0.300 . 1 . . . . 94 LYS C . 11231 1 1069 . 1 1 94 94 LYS CA C 13 54.841 0.300 . 1 . . . . 94 LYS CA . 11231 1 1070 . 1 1 94 94 LYS CB C 13 35.617 0.300 . 1 . . . . 94 LYS CB . 11231 1 1071 . 1 1 94 94 LYS CD C 13 29.226 0.300 . 1 . . . . 94 LYS CD . 11231 1 1072 . 1 1 94 94 LYS CE C 13 42.113 0.300 . 1 . . . . 94 LYS CE . 11231 1 1073 . 1 1 94 94 LYS CG C 13 24.847 0.300 . 1 . . . . 94 LYS CG . 11231 1 1074 . 1 1 94 94 LYS N N 15 127.582 0.300 . 1 . . . . 94 LYS N . 11231 1 1075 . 1 1 95 95 GLU H H 1 8.623 0.030 . 1 . . . . 95 GLU H . 11231 1 1076 . 1 1 95 95 GLU HA H 1 4.342 0.030 . 1 . . . . 95 GLU HA . 11231 1 1077 . 1 1 95 95 GLU HB2 H 1 2.057 0.030 . 2 . . . . 95 GLU HB2 . 11231 1 1078 . 1 1 95 95 GLU HB3 H 1 1.973 0.030 . 2 . . . . 95 GLU HB3 . 11231 1 1079 . 1 1 95 95 GLU HG2 H 1 2.301 0.030 . 1 . . . . 95 GLU HG2 . 11231 1 1080 . 1 1 95 95 GLU HG3 H 1 2.301 0.030 . 1 . . . . 95 GLU HG3 . 11231 1 1081 . 1 1 95 95 GLU C C 13 175.665 0.300 . 1 . . . . 95 GLU C . 11231 1 1082 . 1 1 95 95 GLU CA C 13 55.851 0.300 . 1 . . . . 95 GLU CA . 11231 1 1083 . 1 1 95 95 GLU CB C 13 31.230 0.300 . 1 . . . . 95 GLU CB . 11231 1 1084 . 1 1 95 95 GLU CG C 13 36.398 0.300 . 1 . . . . 95 GLU CG . 11231 1 1085 . 1 1 95 95 GLU N N 15 118.670 0.300 . 1 . . . . 95 GLU N . 11231 1 1086 . 1 1 96 96 GLU H H 1 8.738 0.030 . 1 . . . . 96 GLU H . 11231 1 1087 . 1 1 96 96 GLU HA H 1 4.237 0.030 . 1 . . . . 96 GLU HA . 11231 1 1088 . 1 1 96 96 GLU HB2 H 1 1.930 0.030 . 2 . . . . 96 GLU HB2 . 11231 1 1089 . 1 1 96 96 GLU HB3 H 1 1.984 0.030 . 2 . . . . 96 GLU HB3 . 11231 1 1090 . 1 1 96 96 GLU HG2 H 1 2.254 0.030 . 1 . . . . 96 GLU HG2 . 11231 1 1091 . 1 1 96 96 GLU HG3 H 1 2.254 0.030 . 1 . . . . 96 GLU HG3 . 11231 1 1092 . 1 1 96 96 GLU C C 13 176.608 0.300 . 1 . . . . 96 GLU C . 11231 1 1093 . 1 1 96 96 GLU CA C 13 56.823 0.300 . 1 . . . . 96 GLU CA . 11231 1 1094 . 1 1 96 96 GLU CB C 13 30.453 0.300 . 1 . . . . 96 GLU CB . 11231 1 1095 . 1 1 96 96 GLU CG C 13 36.096 0.300 . 1 . . . . 96 GLU CG . 11231 1 1096 . 1 1 96 96 GLU N N 15 122.080 0.300 . 1 . . . . 96 GLU N . 11231 1 1097 . 1 1 97 97 SER H H 1 8.499 0.030 . 1 . . . . 97 SER H . 11231 1 1098 . 1 1 97 97 SER HA H 1 4.499 0.030 . 1 . . . . 97 SER HA . 11231 1 1099 . 1 1 97 97 SER HB2 H 1 3.887 0.030 . 2 . . . . 97 SER HB2 . 11231 1 1100 . 1 1 97 97 SER HB3 H 1 3.828 0.030 . 2 . . . . 97 SER HB3 . 11231 1 1101 . 1 1 97 97 SER C C 13 174.683 0.300 . 1 . . . . 97 SER C . 11231 1 1102 . 1 1 97 97 SER CA C 13 58.342 0.300 . 1 . . . . 97 SER CA . 11231 1 1103 . 1 1 97 97 SER CB C 13 64.057 0.300 . 1 . . . . 97 SER CB . 11231 1 1104 . 1 1 97 97 SER N N 15 118.440 0.300 . 1 . . . . 97 SER N . 11231 1 1105 . 1 1 98 98 GLY H H 1 8.336 0.030 . 1 . . . . 98 GLY H . 11231 1 1106 . 1 1 98 98 GLY HA2 H 1 4.067 0.030 . 2 . . . . 98 GLY HA2 . 11231 1 1107 . 1 1 98 98 GLY HA3 H 1 4.218 0.030 . 2 . . . . 98 GLY HA3 . 11231 1 1108 . 1 1 98 98 GLY C C 13 174.681 0.300 . 1 . . . . 98 GLY C . 11231 1 1109 . 1 1 98 98 GLY CA C 13 44.683 0.300 . 1 . . . . 98 GLY CA . 11231 1 1110 . 1 1 98 98 GLY N N 15 110.993 0.300 . 1 . . . . 98 GLY N . 11231 1 1111 . 1 1 99 99 PRO HA H 1 4.493 0.030 . 1 . . . . 99 PRO HA . 11231 1 1112 . 1 1 99 99 PRO HB2 H 1 2.303 0.030 . 2 . . . . 99 PRO HB2 . 11231 1 1113 . 1 1 99 99 PRO HB3 H 1 1.979 0.030 . 2 . . . . 99 PRO HB3 . 11231 1 1114 . 1 1 99 99 PRO HD2 H 1 3.648 0.030 . 1 . . . . 99 PRO HD2 . 11231 1 1115 . 1 1 99 99 PRO HD3 H 1 3.648 0.030 . 1 . . . . 99 PRO HD3 . 11231 1 1116 . 1 1 99 99 PRO HG2 H 1 2.017 0.030 . 1 . . . . 99 PRO HG2 . 11231 1 1117 . 1 1 99 99 PRO HG3 H 1 2.017 0.030 . 1 . . . . 99 PRO HG3 . 11231 1 1118 . 1 1 99 99 PRO C C 13 177.431 0.300 . 1 . . . . 99 PRO C . 11231 1 1119 . 1 1 99 99 PRO CA C 13 63.214 0.300 . 1 . . . . 99 PRO CA . 11231 1 1120 . 1 1 99 99 PRO CB C 13 32.176 0.300 . 1 . . . . 99 PRO CB . 11231 1 1121 . 1 1 99 99 PRO CD C 13 49.782 0.300 . 1 . . . . 99 PRO CD . 11231 1 1122 . 1 1 99 99 PRO CG C 13 27.099 0.300 . 1 . . . . 99 PRO CG . 11231 1 1123 . 1 1 100 100 SER H H 1 8.542 0.030 . 1 . . . . 100 SER H . 11231 1 1124 . 1 1 100 100 SER HA H 1 4.517 0.030 . 1 . . . . 100 SER HA . 11231 1 1125 . 1 1 100 100 SER HB2 H 1 3.915 0.030 . 1 . . . . 100 SER HB2 . 11231 1 1126 . 1 1 100 100 SER HB3 H 1 3.915 0.030 . 1 . . . . 100 SER HB3 . 11231 1 1127 . 1 1 100 100 SER C C 13 174.737 0.300 . 1 . . . . 100 SER C . 11231 1 1128 . 1 1 100 100 SER CA C 13 58.368 0.300 . 1 . . . . 100 SER CA . 11231 1 1129 . 1 1 100 100 SER CB C 13 63.858 0.300 . 1 . . . . 100 SER CB . 11231 1 1130 . 1 1 100 100 SER N N 15 116.518 0.300 . 1 . . . . 100 SER N . 11231 1 1131 . 1 1 101 101 SER H H 1 8.359 0.030 . 1 . . . . 101 SER H . 11231 1 1132 . 1 1 101 101 SER HA H 1 4.512 0.030 . 1 . . . . 101 SER HA . 11231 1 1133 . 1 1 101 101 SER HB2 H 1 3.907 0.030 . 1 . . . . 101 SER HB2 . 11231 1 1134 . 1 1 101 101 SER HB3 H 1 3.907 0.030 . 1 . . . . 101 SER HB3 . 11231 1 1135 . 1 1 101 101 SER C C 13 173.960 0.300 . 1 . . . . 101 SER C . 11231 1 1136 . 1 1 101 101 SER CA C 13 58.488 0.300 . 1 . . . . 101 SER CA . 11231 1 1137 . 1 1 101 101 SER CB C 13 64.194 0.300 . 1 . . . . 101 SER CB . 11231 1 1138 . 1 1 101 101 SER N N 15 117.996 0.300 . 1 . . . . 101 SER N . 11231 1 1139 . 1 1 102 102 GLY H H 1 8.057 0.030 . 1 . . . . 102 GLY H . 11231 1 1140 . 1 1 102 102 GLY HA2 H 1 3.819 0.030 . 2 . . . . 102 GLY HA2 . 11231 1 1141 . 1 1 102 102 GLY HA3 H 1 3.761 0.030 . 2 . . . . 102 GLY HA3 . 11231 1 1142 . 1 1 102 102 GLY C C 13 179.068 0.300 . 1 . . . . 102 GLY C . 11231 1 1143 . 1 1 102 102 GLY CA C 13 46.294 0.300 . 1 . . . . 102 GLY CA . 11231 1 1144 . 1 1 102 102 GLY N N 15 116.918 0.300 . 1 . . . . 102 GLY N . 11231 1 stop_ save_