data_11230 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11230 _Entry.Title ; Solution structure of the 6th Ig-like domain from human KIAA1556 ; _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 . . . 11230 2 T. Nagashima . . . 11230 3 F. Hayashi . . . 11230 4 S. Yokoyama . . . 11230 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)' . 11230 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11230 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 407 11230 '15N chemical shifts' 94 11230 '1H chemical shifts' 647 11230 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 . 11230 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E7B 'BMRB Entry Tracking System' 11230 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11230 _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 6th Ig-like domain from human KIAA1556' _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 . . . 11230 1 2 T. Nagashima . . . 11230 1 3 F. Hayashi . . . 11230 1 4 S. Yokoyama . . . 11230 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11230 _Assembly.ID 1 _Assembly.Name Obscurin _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 'Ig-like domain, residues 8-97' 1 $entity_1 A . yes native no no . . . 11230 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 2e7b . . . . . . 11230 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11230 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ig-like domain, residues 8-97' _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 ; GSSGSSGPVRFQEALKDLEV LEGGAATLRCVLSSVAAPVK WCYGNNVLRPGDKYSLRQEG AMLELVVRNLRPQDSGRYSC SFGDQTTSATLTVTALPSGP SSG ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2E7B . "Solution Structure Of The 6th Ig-Like Domain From Human Kiaa1556" . . . . . 100.00 103 100.00 100.00 7.40e-67 . . . . 11230 1 no PDB 2YZ8 . "Crystal Structure Of The 32th Ig-Like Domain Of Human Obscurin (Kiaa1556)" . . . . . 100.00 103 99.03 99.03 1.30e-65 . . . . 11230 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ig-like domain, residues 8-97' . 11230 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 . 11230 1 2 . SER . 11230 1 3 . SER . 11230 1 4 . GLY . 11230 1 5 . SER . 11230 1 6 . SER . 11230 1 7 . GLY . 11230 1 8 . PRO . 11230 1 9 . VAL . 11230 1 10 . ARG . 11230 1 11 . PHE . 11230 1 12 . GLN . 11230 1 13 . GLU . 11230 1 14 . ALA . 11230 1 15 . LEU . 11230 1 16 . LYS . 11230 1 17 . ASP . 11230 1 18 . LEU . 11230 1 19 . GLU . 11230 1 20 . VAL . 11230 1 21 . LEU . 11230 1 22 . GLU . 11230 1 23 . GLY . 11230 1 24 . GLY . 11230 1 25 . ALA . 11230 1 26 . ALA . 11230 1 27 . THR . 11230 1 28 . LEU . 11230 1 29 . ARG . 11230 1 30 . CYS . 11230 1 31 . VAL . 11230 1 32 . LEU . 11230 1 33 . SER . 11230 1 34 . SER . 11230 1 35 . VAL . 11230 1 36 . ALA . 11230 1 37 . ALA . 11230 1 38 . PRO . 11230 1 39 . VAL . 11230 1 40 . LYS . 11230 1 41 . TRP . 11230 1 42 . CYS . 11230 1 43 . TYR . 11230 1 44 . GLY . 11230 1 45 . ASN . 11230 1 46 . ASN . 11230 1 47 . VAL . 11230 1 48 . LEU . 11230 1 49 . ARG . 11230 1 50 . PRO . 11230 1 51 . GLY . 11230 1 52 . ASP . 11230 1 53 . LYS . 11230 1 54 . TYR . 11230 1 55 . SER . 11230 1 56 . LEU . 11230 1 57 . ARG . 11230 1 58 . GLN . 11230 1 59 . GLU . 11230 1 60 . GLY . 11230 1 61 . ALA . 11230 1 62 . MET . 11230 1 63 . LEU . 11230 1 64 . GLU . 11230 1 65 . LEU . 11230 1 66 . VAL . 11230 1 67 . VAL . 11230 1 68 . ARG . 11230 1 69 . ASN . 11230 1 70 . LEU . 11230 1 71 . ARG . 11230 1 72 . PRO . 11230 1 73 . GLN . 11230 1 74 . ASP . 11230 1 75 . SER . 11230 1 76 . GLY . 11230 1 77 . ARG . 11230 1 78 . TYR . 11230 1 79 . SER . 11230 1 80 . CYS . 11230 1 81 . SER . 11230 1 82 . PHE . 11230 1 83 . GLY . 11230 1 84 . ASP . 11230 1 85 . GLN . 11230 1 86 . THR . 11230 1 87 . THR . 11230 1 88 . SER . 11230 1 89 . ALA . 11230 1 90 . THR . 11230 1 91 . LEU . 11230 1 92 . THR . 11230 1 93 . VAL . 11230 1 94 . THR . 11230 1 95 . ALA . 11230 1 96 . LEU . 11230 1 97 . PRO . 11230 1 98 . SER . 11230 1 99 . GLY . 11230 1 100 . PRO . 11230 1 101 . SER . 11230 1 102 . SER . 11230 1 103 . GLY . 11230 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 11230 1 . SER 2 2 11230 1 . SER 3 3 11230 1 . GLY 4 4 11230 1 . SER 5 5 11230 1 . SER 6 6 11230 1 . GLY 7 7 11230 1 . PRO 8 8 11230 1 . VAL 9 9 11230 1 . ARG 10 10 11230 1 . PHE 11 11 11230 1 . GLN 12 12 11230 1 . GLU 13 13 11230 1 . ALA 14 14 11230 1 . LEU 15 15 11230 1 . LYS 16 16 11230 1 . ASP 17 17 11230 1 . LEU 18 18 11230 1 . GLU 19 19 11230 1 . VAL 20 20 11230 1 . LEU 21 21 11230 1 . GLU 22 22 11230 1 . GLY 23 23 11230 1 . GLY 24 24 11230 1 . ALA 25 25 11230 1 . ALA 26 26 11230 1 . THR 27 27 11230 1 . LEU 28 28 11230 1 . ARG 29 29 11230 1 . CYS 30 30 11230 1 . VAL 31 31 11230 1 . LEU 32 32 11230 1 . SER 33 33 11230 1 . SER 34 34 11230 1 . VAL 35 35 11230 1 . ALA 36 36 11230 1 . ALA 37 37 11230 1 . PRO 38 38 11230 1 . VAL 39 39 11230 1 . LYS 40 40 11230 1 . TRP 41 41 11230 1 . CYS 42 42 11230 1 . TYR 43 43 11230 1 . GLY 44 44 11230 1 . ASN 45 45 11230 1 . ASN 46 46 11230 1 . VAL 47 47 11230 1 . LEU 48 48 11230 1 . ARG 49 49 11230 1 . PRO 50 50 11230 1 . GLY 51 51 11230 1 . ASP 52 52 11230 1 . LYS 53 53 11230 1 . TYR 54 54 11230 1 . SER 55 55 11230 1 . LEU 56 56 11230 1 . ARG 57 57 11230 1 . GLN 58 58 11230 1 . GLU 59 59 11230 1 . GLY 60 60 11230 1 . ALA 61 61 11230 1 . MET 62 62 11230 1 . LEU 63 63 11230 1 . GLU 64 64 11230 1 . LEU 65 65 11230 1 . VAL 66 66 11230 1 . VAL 67 67 11230 1 . ARG 68 68 11230 1 . ASN 69 69 11230 1 . LEU 70 70 11230 1 . ARG 71 71 11230 1 . PRO 72 72 11230 1 . GLN 73 73 11230 1 . ASP 74 74 11230 1 . SER 75 75 11230 1 . GLY 76 76 11230 1 . ARG 77 77 11230 1 . TYR 78 78 11230 1 . SER 79 79 11230 1 . CYS 80 80 11230 1 . SER 81 81 11230 1 . PHE 82 82 11230 1 . GLY 83 83 11230 1 . ASP 84 84 11230 1 . GLN 85 85 11230 1 . THR 86 86 11230 1 . THR 87 87 11230 1 . SER 88 88 11230 1 . ALA 89 89 11230 1 . THR 90 90 11230 1 . LEU 91 91 11230 1 . THR 92 92 11230 1 . VAL 93 93 11230 1 . THR 94 94 11230 1 . ALA 95 95 11230 1 . LEU 96 96 11230 1 . PRO 97 97 11230 1 . SER 98 98 11230 1 . GLY 99 99 11230 1 . PRO 100 100 11230 1 . SER 101 101 11230 1 . SER 102 102 11230 1 . GLY 103 103 11230 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 11230 _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 . . . . . . . . . . . . . . . . . . . . . 11230 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 11230 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P051017-18 . . . . . . 11230 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11230 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.39mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 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 'Ig-like domain, residues 8-97' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.39 . . mM . . . . 11230 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11230 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11230 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11230 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11230 1 6 H2O . . . . . . solvent 90 . . % . . . . 11230 1 7 D2O . . . . . . solvent 10 . . % . . . . 11230 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 11230 _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 11230 1 pH 7.0 0.05 pH 11230 1 pressure 1 0.001 atm 11230 1 temperature 293 0.1 K 11230 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11230 _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 . . 11230 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11230 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11230 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11230 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11230 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11230 _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.' . . 11230 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11230 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11230 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11230 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11230 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11230 _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.' . . 11230 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11230 5 'structure solution' 11230 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 11230 _NMR_spectrometer.ID 1 _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 11230 _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 . 900 . . . 11230 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 11230 _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 . . . . . . . . . . . . . . . . 11230 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11230 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 11230 _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 . . . . . . . . . 11230 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11230 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11230 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 11230 _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 11230 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11230 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 . . 11230 1 2 $NMRPipe . . 11230 1 3 $NMRView . . 11230 1 4 $Kujira . . 11230 1 5 $CYANA . . 11230 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 8 8 PRO HA H 1 4.420 0.030 . 1 . . . . 8 PRO HA . 11230 1 2 . 1 1 8 8 PRO HB2 H 1 1.830 0.030 . 2 . . . . 8 PRO HB2 . 11230 1 3 . 1 1 8 8 PRO HB3 H 1 2.256 0.030 . 2 . . . . 8 PRO HB3 . 11230 1 4 . 1 1 8 8 PRO HD2 H 1 3.591 0.030 . 1 . . . . 8 PRO HD2 . 11230 1 5 . 1 1 8 8 PRO HD3 H 1 3.591 0.030 . 1 . . . . 8 PRO HD3 . 11230 1 6 . 1 1 8 8 PRO HG2 H 1 1.937 0.030 . 2 . . . . 8 PRO HG2 . 11230 1 7 . 1 1 8 8 PRO HG3 H 1 2.007 0.030 . 2 . . . . 8 PRO HG3 . 11230 1 8 . 1 1 8 8 PRO C C 13 176.515 0.300 . 1 . . . . 8 PRO C . 11230 1 9 . 1 1 8 8 PRO CA C 13 62.803 0.300 . 1 . . . . 8 PRO CA . 11230 1 10 . 1 1 8 8 PRO CB C 13 32.128 0.300 . 1 . . . . 8 PRO CB . 11230 1 11 . 1 1 8 8 PRO CD C 13 49.717 0.300 . 1 . . . . 8 PRO CD . 11230 1 12 . 1 1 8 8 PRO CG C 13 27.146 0.300 . 1 . . . . 8 PRO CG . 11230 1 13 . 1 1 9 9 VAL H H 1 8.243 0.030 . 1 . . . . 9 VAL H . 11230 1 14 . 1 1 9 9 VAL HA H 1 3.526 0.030 . 1 . . . . 9 VAL HA . 11230 1 15 . 1 1 9 9 VAL HB H 1 1.806 0.030 . 1 . . . . 9 VAL HB . 11230 1 16 . 1 1 9 9 VAL HG11 H 1 0.728 0.030 . 1 . . . . 9 VAL HG1 . 11230 1 17 . 1 1 9 9 VAL HG12 H 1 0.728 0.030 . 1 . . . . 9 VAL HG1 . 11230 1 18 . 1 1 9 9 VAL HG13 H 1 0.728 0.030 . 1 . . . . 9 VAL HG1 . 11230 1 19 . 1 1 9 9 VAL HG21 H 1 0.393 0.030 . 1 . . . . 9 VAL HG2 . 11230 1 20 . 1 1 9 9 VAL HG22 H 1 0.393 0.030 . 1 . . . . 9 VAL HG2 . 11230 1 21 . 1 1 9 9 VAL HG23 H 1 0.393 0.030 . 1 . . . . 9 VAL HG2 . 11230 1 22 . 1 1 9 9 VAL C C 13 174.867 0.300 . 1 . . . . 9 VAL C . 11230 1 23 . 1 1 9 9 VAL CA C 13 63.747 0.300 . 1 . . . . 9 VAL CA . 11230 1 24 . 1 1 9 9 VAL CB C 13 31.804 0.300 . 1 . . . . 9 VAL CB . 11230 1 25 . 1 1 9 9 VAL CG1 C 13 21.470 0.300 . 2 . . . . 9 VAL CG1 . 11230 1 26 . 1 1 9 9 VAL CG2 C 13 22.491 0.300 . 2 . . . . 9 VAL CG2 . 11230 1 27 . 1 1 9 9 VAL N N 15 122.732 0.300 . 1 . . . . 9 VAL N . 11230 1 28 . 1 1 10 10 ARG H H 1 8.391 0.030 . 1 . . . . 10 ARG H . 11230 1 29 . 1 1 10 10 ARG HA H 1 4.502 0.030 . 1 . . . . 10 ARG HA . 11230 1 30 . 1 1 10 10 ARG HB2 H 1 1.725 0.030 . 1 . . . . 10 ARG HB2 . 11230 1 31 . 1 1 10 10 ARG HB3 H 1 1.725 0.030 . 1 . . . . 10 ARG HB3 . 11230 1 32 . 1 1 10 10 ARG HD2 H 1 3.105 0.030 . 2 . . . . 10 ARG HD2 . 11230 1 33 . 1 1 10 10 ARG HD3 H 1 3.177 0.030 . 2 . . . . 10 ARG HD3 . 11230 1 34 . 1 1 10 10 ARG HG2 H 1 1.298 0.030 . 2 . . . . 10 ARG HG2 . 11230 1 35 . 1 1 10 10 ARG HG3 H 1 1.526 0.030 . 2 . . . . 10 ARG HG3 . 11230 1 36 . 1 1 10 10 ARG C C 13 174.743 0.300 . 1 . . . . 10 ARG C . 11230 1 37 . 1 1 10 10 ARG CA C 13 53.350 0.300 . 1 . . . . 10 ARG CA . 11230 1 38 . 1 1 10 10 ARG CB C 13 33.500 0.300 . 1 . . . . 10 ARG CB . 11230 1 39 . 1 1 10 10 ARG CD C 13 43.249 0.300 . 1 . . . . 10 ARG CD . 11230 1 40 . 1 1 10 10 ARG CG C 13 26.189 0.300 . 1 . . . . 10 ARG CG . 11230 1 41 . 1 1 10 10 ARG N N 15 124.586 0.300 . 1 . . . . 10 ARG N . 11230 1 42 . 1 1 11 11 PHE H H 1 9.083 0.030 . 1 . . . . 11 PHE H . 11230 1 43 . 1 1 11 11 PHE HA H 1 4.547 0.030 . 1 . . . . 11 PHE HA . 11230 1 44 . 1 1 11 11 PHE HB2 H 1 2.859 0.030 . 2 . . . . 11 PHE HB2 . 11230 1 45 . 1 1 11 11 PHE HB3 H 1 2.630 0.030 . 2 . . . . 11 PHE HB3 . 11230 1 46 . 1 1 11 11 PHE HD1 H 1 7.013 0.030 . 1 . . . . 11 PHE HD1 . 11230 1 47 . 1 1 11 11 PHE HD2 H 1 7.013 0.030 . 1 . . . . 11 PHE HD2 . 11230 1 48 . 1 1 11 11 PHE HE1 H 1 7.093 0.030 . 1 . . . . 11 PHE HE1 . 11230 1 49 . 1 1 11 11 PHE HE2 H 1 7.093 0.030 . 1 . . . . 11 PHE HE2 . 11230 1 50 . 1 1 11 11 PHE HZ H 1 6.661 0.030 . 1 . . . . 11 PHE HZ . 11230 1 51 . 1 1 11 11 PHE C C 13 175.181 0.300 . 1 . . . . 11 PHE C . 11230 1 52 . 1 1 11 11 PHE CA C 13 60.352 0.300 . 1 . . . . 11 PHE CA . 11230 1 53 . 1 1 11 11 PHE CB C 13 37.139 0.300 . 1 . . . . 11 PHE CB . 11230 1 54 . 1 1 11 11 PHE CD1 C 13 131.018 0.300 . 1 . . . . 11 PHE CD1 . 11230 1 55 . 1 1 11 11 PHE CD2 C 13 131.018 0.300 . 1 . . . . 11 PHE CD2 . 11230 1 56 . 1 1 11 11 PHE CE1 C 13 131.840 0.300 . 1 . . . . 11 PHE CE1 . 11230 1 57 . 1 1 11 11 PHE CE2 C 13 131.840 0.300 . 1 . . . . 11 PHE CE2 . 11230 1 58 . 1 1 11 11 PHE CZ C 13 129.169 0.300 . 1 . . . . 11 PHE CZ . 11230 1 59 . 1 1 11 11 PHE N N 15 117.952 0.300 . 1 . . . . 11 PHE N . 11230 1 60 . 1 1 12 12 GLN H H 1 8.606 0.030 . 1 . . . . 12 GLN H . 11230 1 61 . 1 1 12 12 GLN HA H 1 4.176 0.030 . 1 . . . . 12 GLN HA . 11230 1 62 . 1 1 12 12 GLN HB2 H 1 1.788 0.030 . 2 . . . . 12 GLN HB2 . 11230 1 63 . 1 1 12 12 GLN HB3 H 1 1.565 0.030 . 2 . . . . 12 GLN HB3 . 11230 1 64 . 1 1 12 12 GLN HE21 H 1 7.611 0.030 . 2 . . . . 12 GLN HE21 . 11230 1 65 . 1 1 12 12 GLN HE22 H 1 6.825 0.030 . 2 . . . . 12 GLN HE22 . 11230 1 66 . 1 1 12 12 GLN HG2 H 1 2.240 0.030 . 1 . . . . 12 GLN HG2 . 11230 1 67 . 1 1 12 12 GLN HG3 H 1 2.240 0.030 . 1 . . . . 12 GLN HG3 . 11230 1 68 . 1 1 12 12 GLN C C 13 176.208 0.300 . 1 . . . . 12 GLN C . 11230 1 69 . 1 1 12 12 GLN CA C 13 56.991 0.300 . 1 . . . . 12 GLN CA . 11230 1 70 . 1 1 12 12 GLN CB C 13 30.380 0.300 . 1 . . . . 12 GLN CB . 11230 1 71 . 1 1 12 12 GLN CG C 13 33.256 0.300 . 1 . . . . 12 GLN CG . 11230 1 72 . 1 1 12 12 GLN N N 15 129.516 0.300 . 1 . . . . 12 GLN N . 11230 1 73 . 1 1 12 12 GLN NE2 N 15 111.982 0.300 . 1 . . . . 12 GLN NE2 . 11230 1 74 . 1 1 13 13 GLU H H 1 8.039 0.030 . 1 . . . . 13 GLU H . 11230 1 75 . 1 1 13 13 GLU HA H 1 4.694 0.030 . 1 . . . . 13 GLU HA . 11230 1 76 . 1 1 13 13 GLU HB2 H 1 1.793 0.030 . 2 . . . . 13 GLU HB2 . 11230 1 77 . 1 1 13 13 GLU HB3 H 1 2.080 0.030 . 2 . . . . 13 GLU HB3 . 11230 1 78 . 1 1 13 13 GLU HG2 H 1 2.252 0.030 . 2 . . . . 13 GLU HG2 . 11230 1 79 . 1 1 13 13 GLU HG3 H 1 2.181 0.030 . 2 . . . . 13 GLU HG3 . 11230 1 80 . 1 1 13 13 GLU C C 13 174.826 0.300 . 1 . . . . 13 GLU C . 11230 1 81 . 1 1 13 13 GLU CA C 13 55.585 0.300 . 1 . . . . 13 GLU CA . 11230 1 82 . 1 1 13 13 GLU CB C 13 31.433 0.300 . 1 . . . . 13 GLU CB . 11230 1 83 . 1 1 13 13 GLU CG C 13 35.630 0.300 . 1 . . . . 13 GLU CG . 11230 1 84 . 1 1 13 13 GLU N N 15 117.056 0.300 . 1 . . . . 13 GLU N . 11230 1 85 . 1 1 14 14 ALA H H 1 8.433 0.030 . 1 . . . . 14 ALA H . 11230 1 86 . 1 1 14 14 ALA HA H 1 4.171 0.030 . 1 . . . . 14 ALA HA . 11230 1 87 . 1 1 14 14 ALA HB1 H 1 1.493 0.030 . 1 . . . . 14 ALA HB . 11230 1 88 . 1 1 14 14 ALA HB2 H 1 1.493 0.030 . 1 . . . . 14 ALA HB . 11230 1 89 . 1 1 14 14 ALA HB3 H 1 1.493 0.030 . 1 . . . . 14 ALA HB . 11230 1 90 . 1 1 14 14 ALA C C 13 178.011 0.300 . 1 . . . . 14 ALA C . 11230 1 91 . 1 1 14 14 ALA CA C 13 51.145 0.300 . 1 . . . . 14 ALA CA . 11230 1 92 . 1 1 14 14 ALA CB C 13 20.747 0.300 . 1 . . . . 14 ALA CB . 11230 1 93 . 1 1 14 14 ALA N N 15 126.648 0.300 . 1 . . . . 14 ALA N . 11230 1 94 . 1 1 15 15 LEU H H 1 7.759 0.030 . 1 . . . . 15 LEU H . 11230 1 95 . 1 1 15 15 LEU HA H 1 4.256 0.030 . 1 . . . . 15 LEU HA . 11230 1 96 . 1 1 15 15 LEU HB2 H 1 1.274 0.030 . 2 . . . . 15 LEU HB2 . 11230 1 97 . 1 1 15 15 LEU HB3 H 1 1.334 0.030 . 2 . . . . 15 LEU HB3 . 11230 1 98 . 1 1 15 15 LEU HD11 H 1 0.805 0.030 . 1 . . . . 15 LEU HD1 . 11230 1 99 . 1 1 15 15 LEU HD12 H 1 0.805 0.030 . 1 . . . . 15 LEU HD1 . 11230 1 100 . 1 1 15 15 LEU HD13 H 1 0.805 0.030 . 1 . . . . 15 LEU HD1 . 11230 1 101 . 1 1 15 15 LEU HD21 H 1 1.039 0.030 . 1 . . . . 15 LEU HD2 . 11230 1 102 . 1 1 15 15 LEU HD22 H 1 1.039 0.030 . 1 . . . . 15 LEU HD2 . 11230 1 103 . 1 1 15 15 LEU HD23 H 1 1.039 0.030 . 1 . . . . 15 LEU HD2 . 11230 1 104 . 1 1 15 15 LEU HG H 1 1.417 0.030 . 1 . . . . 15 LEU HG . 11230 1 105 . 1 1 15 15 LEU C C 13 176.109 0.300 . 1 . . . . 15 LEU C . 11230 1 106 . 1 1 15 15 LEU CA C 13 55.593 0.300 . 1 . . . . 15 LEU CA . 11230 1 107 . 1 1 15 15 LEU CB C 13 44.089 0.300 . 1 . . . . 15 LEU CB . 11230 1 108 . 1 1 15 15 LEU CD1 C 13 26.163 0.300 . 2 . . . . 15 LEU CD1 . 11230 1 109 . 1 1 15 15 LEU CD2 C 13 23.727 0.300 . 2 . . . . 15 LEU CD2 . 11230 1 110 . 1 1 15 15 LEU CG C 13 26.893 0.300 . 1 . . . . 15 LEU CG . 11230 1 111 . 1 1 15 15 LEU N N 15 119.117 0.300 . 1 . . . . 15 LEU N . 11230 1 112 . 1 1 16 16 LYS H H 1 8.189 0.030 . 1 . . . . 16 LYS H . 11230 1 113 . 1 1 16 16 LYS HA H 1 4.696 0.030 . 1 . . . . 16 LYS HA . 11230 1 114 . 1 1 16 16 LYS HB2 H 1 1.891 0.030 . 2 . . . . 16 LYS HB2 . 11230 1 115 . 1 1 16 16 LYS HB3 H 1 1.721 0.030 . 2 . . . . 16 LYS HB3 . 11230 1 116 . 1 1 16 16 LYS HD2 H 1 1.745 0.030 . 2 . . . . 16 LYS HD2 . 11230 1 117 . 1 1 16 16 LYS HD3 H 1 1.772 0.030 . 2 . . . . 16 LYS HD3 . 11230 1 118 . 1 1 16 16 LYS HE2 H 1 3.096 0.030 . 1 . . . . 16 LYS HE2 . 11230 1 119 . 1 1 16 16 LYS HE3 H 1 3.096 0.030 . 1 . . . . 16 LYS HE3 . 11230 1 120 . 1 1 16 16 LYS HG2 H 1 1.538 0.030 . 1 . . . . 16 LYS HG2 . 11230 1 121 . 1 1 16 16 LYS HG3 H 1 1.538 0.030 . 1 . . . . 16 LYS HG3 . 11230 1 122 . 1 1 16 16 LYS C C 13 175.098 0.300 . 1 . . . . 16 LYS C . 11230 1 123 . 1 1 16 16 LYS CA C 13 54.346 0.300 . 1 . . . . 16 LYS CA . 11230 1 124 . 1 1 16 16 LYS CB C 13 35.557 0.300 . 1 . . . . 16 LYS CB . 11230 1 125 . 1 1 16 16 LYS CD C 13 29.195 0.300 . 1 . . . . 16 LYS CD . 11230 1 126 . 1 1 16 16 LYS CE C 13 42.232 0.300 . 1 . . . . 16 LYS CE . 11230 1 127 . 1 1 16 16 LYS CG C 13 24.416 0.300 . 1 . . . . 16 LYS CG . 11230 1 128 . 1 1 16 16 LYS N N 15 120.023 0.300 . 1 . . . . 16 LYS N . 11230 1 129 . 1 1 17 17 ASP H H 1 8.298 0.030 . 1 . . . . 17 ASP H . 11230 1 130 . 1 1 17 17 ASP HA H 1 4.701 0.030 . 1 . . . . 17 ASP HA . 11230 1 131 . 1 1 17 17 ASP HB2 H 1 2.765 0.030 . 2 . . . . 17 ASP HB2 . 11230 1 132 . 1 1 17 17 ASP HB3 H 1 2.578 0.030 . 2 . . . . 17 ASP HB3 . 11230 1 133 . 1 1 17 17 ASP C C 13 175.989 0.300 . 1 . . . . 17 ASP C . 11230 1 134 . 1 1 17 17 ASP CA C 13 55.308 0.300 . 1 . . . . 17 ASP CA . 11230 1 135 . 1 1 17 17 ASP CB C 13 40.970 0.300 . 1 . . . . 17 ASP CB . 11230 1 136 . 1 1 17 17 ASP N N 15 121.403 0.300 . 1 . . . . 17 ASP N . 11230 1 137 . 1 1 18 18 LEU H H 1 8.197 0.030 . 1 . . . . 18 LEU H . 11230 1 138 . 1 1 18 18 LEU HA H 1 4.802 0.030 . 1 . . . . 18 LEU HA . 11230 1 139 . 1 1 18 18 LEU HB2 H 1 1.602 0.030 . 2 . . . . 18 LEU HB2 . 11230 1 140 . 1 1 18 18 LEU HB3 H 1 1.477 0.030 . 2 . . . . 18 LEU HB3 . 11230 1 141 . 1 1 18 18 LEU HD11 H 1 0.874 0.030 . 1 . . . . 18 LEU HD1 . 11230 1 142 . 1 1 18 18 LEU HD12 H 1 0.874 0.030 . 1 . . . . 18 LEU HD1 . 11230 1 143 . 1 1 18 18 LEU HD13 H 1 0.874 0.030 . 1 . . . . 18 LEU HD1 . 11230 1 144 . 1 1 18 18 LEU HD21 H 1 0.892 0.030 . 1 . . . . 18 LEU HD2 . 11230 1 145 . 1 1 18 18 LEU HD22 H 1 0.892 0.030 . 1 . . . . 18 LEU HD2 . 11230 1 146 . 1 1 18 18 LEU HD23 H 1 0.892 0.030 . 1 . . . . 18 LEU HD2 . 11230 1 147 . 1 1 18 18 LEU HG H 1 1.603 0.030 . 1 . . . . 18 LEU HG . 11230 1 148 . 1 1 18 18 LEU C C 13 174.196 0.300 . 1 . . . . 18 LEU C . 11230 1 149 . 1 1 18 18 LEU CA C 13 54.779 0.300 . 1 . . . . 18 LEU CA . 11230 1 150 . 1 1 18 18 LEU CB C 13 46.639 0.300 . 1 . . . . 18 LEU CB . 11230 1 151 . 1 1 18 18 LEU CD1 C 13 25.558 0.300 . 2 . . . . 18 LEU CD1 . 11230 1 152 . 1 1 18 18 LEU CD2 C 13 24.631 0.300 . 2 . . . . 18 LEU CD2 . 11230 1 153 . 1 1 18 18 LEU CG C 13 26.782 0.300 . 1 . . . . 18 LEU CG . 11230 1 154 . 1 1 18 18 LEU N N 15 120.834 0.300 . 1 . . . . 18 LEU N . 11230 1 155 . 1 1 19 19 GLU H H 1 8.374 0.030 . 1 . . . . 19 GLU H . 11230 1 156 . 1 1 19 19 GLU HA H 1 5.538 0.030 . 1 . . . . 19 GLU HA . 11230 1 157 . 1 1 19 19 GLU HB2 H 1 1.905 0.030 . 1 . . . . 19 GLU HB2 . 11230 1 158 . 1 1 19 19 GLU HB3 H 1 1.905 0.030 . 1 . . . . 19 GLU HB3 . 11230 1 159 . 1 1 19 19 GLU HG2 H 1 2.018 0.030 . 2 . . . . 19 GLU HG2 . 11230 1 160 . 1 1 19 19 GLU HG3 H 1 2.167 0.030 . 2 . . . . 19 GLU HG3 . 11230 1 161 . 1 1 19 19 GLU C C 13 175.394 0.300 . 1 . . . . 19 GLU C . 11230 1 162 . 1 1 19 19 GLU CA C 13 54.569 0.300 . 1 . . . . 19 GLU CA . 11230 1 163 . 1 1 19 19 GLU CB C 13 31.576 0.300 . 1 . . . . 19 GLU CB . 11230 1 164 . 1 1 19 19 GLU CG C 13 36.211 0.300 . 1 . . . . 19 GLU CG . 11230 1 165 . 1 1 19 19 GLU N N 15 124.682 0.300 . 1 . . . . 19 GLU N . 11230 1 166 . 1 1 20 20 VAL H H 1 8.666 0.030 . 1 . . . . 20 VAL H . 11230 1 167 . 1 1 20 20 VAL HA H 1 4.457 0.030 . 1 . . . . 20 VAL HA . 11230 1 168 . 1 1 20 20 VAL HB H 1 1.757 0.030 . 1 . . . . 20 VAL HB . 11230 1 169 . 1 1 20 20 VAL HG11 H 1 0.928 0.030 . 1 . . . . 20 VAL HG1 . 11230 1 170 . 1 1 20 20 VAL HG12 H 1 0.928 0.030 . 1 . . . . 20 VAL HG1 . 11230 1 171 . 1 1 20 20 VAL HG13 H 1 0.928 0.030 . 1 . . . . 20 VAL HG1 . 11230 1 172 . 1 1 20 20 VAL HG21 H 1 0.753 0.030 . 1 . . . . 20 VAL HG2 . 11230 1 173 . 1 1 20 20 VAL HG22 H 1 0.753 0.030 . 1 . . . . 20 VAL HG2 . 11230 1 174 . 1 1 20 20 VAL HG23 H 1 0.753 0.030 . 1 . . . . 20 VAL HG2 . 11230 1 175 . 1 1 20 20 VAL C C 13 173.532 0.300 . 1 . . . . 20 VAL C . 11230 1 176 . 1 1 20 20 VAL CA C 13 59.817 0.300 . 1 . . . . 20 VAL CA . 11230 1 177 . 1 1 20 20 VAL CB C 13 36.266 0.300 . 1 . . . . 20 VAL CB . 11230 1 178 . 1 1 20 20 VAL CG1 C 13 22.321 0.300 . 2 . . . . 20 VAL CG1 . 11230 1 179 . 1 1 20 20 VAL CG2 C 13 21.520 0.300 . 2 . . . . 20 VAL CG2 . 11230 1 180 . 1 1 20 20 VAL N N 15 122.913 0.300 . 1 . . . . 20 VAL N . 11230 1 181 . 1 1 21 21 LEU H H 1 7.994 0.030 . 1 . . . . 21 LEU H . 11230 1 182 . 1 1 21 21 LEU HA H 1 4.487 0.030 . 1 . . . . 21 LEU HA . 11230 1 183 . 1 1 21 21 LEU HB2 H 1 1.493 0.030 . 2 . . . . 21 LEU HB2 . 11230 1 184 . 1 1 21 21 LEU HB3 H 1 1.591 0.030 . 2 . . . . 21 LEU HB3 . 11230 1 185 . 1 1 21 21 LEU HD11 H 1 0.847 0.030 . 1 . . . . 21 LEU HD1 . 11230 1 186 . 1 1 21 21 LEU HD12 H 1 0.847 0.030 . 1 . . . . 21 LEU HD1 . 11230 1 187 . 1 1 21 21 LEU HD13 H 1 0.847 0.030 . 1 . . . . 21 LEU HD1 . 11230 1 188 . 1 1 21 21 LEU HD21 H 1 0.869 0.030 . 1 . . . . 21 LEU HD2 . 11230 1 189 . 1 1 21 21 LEU HD22 H 1 0.869 0.030 . 1 . . . . 21 LEU HD2 . 11230 1 190 . 1 1 21 21 LEU HD23 H 1 0.869 0.030 . 1 . . . . 21 LEU HD2 . 11230 1 191 . 1 1 21 21 LEU HG H 1 1.862 0.030 . 1 . . . . 21 LEU HG . 11230 1 192 . 1 1 21 21 LEU C C 13 176.772 0.300 . 1 . . . . 21 LEU C . 11230 1 193 . 1 1 21 21 LEU CA C 13 55.038 0.300 . 1 . . . . 21 LEU CA . 11230 1 194 . 1 1 21 21 LEU CB C 13 43.733 0.300 . 1 . . . . 21 LEU CB . 11230 1 195 . 1 1 21 21 LEU CD1 C 13 24.673 0.300 . 2 . . . . 21 LEU CD1 . 11230 1 196 . 1 1 21 21 LEU CD2 C 13 24.401 0.300 . 2 . . . . 21 LEU CD2 . 11230 1 197 . 1 1 21 21 LEU CG C 13 26.574 0.300 . 1 . . . . 21 LEU CG . 11230 1 198 . 1 1 21 21 LEU N N 15 125.053 0.300 . 1 . . . . 21 LEU N . 11230 1 199 . 1 1 22 22 GLU H H 1 8.313 0.030 . 1 . . . . 22 GLU H . 11230 1 200 . 1 1 22 22 GLU HA H 1 3.460 0.030 . 1 . . . . 22 GLU HA . 11230 1 201 . 1 1 22 22 GLU HB2 H 1 2.080 0.030 . 2 . . . . 22 GLU HB2 . 11230 1 202 . 1 1 22 22 GLU HB3 H 1 1.806 0.030 . 2 . . . . 22 GLU HB3 . 11230 1 203 . 1 1 22 22 GLU HG2 H 1 2.294 0.030 . 1 . . . . 22 GLU HG2 . 11230 1 204 . 1 1 22 22 GLU HG3 H 1 2.294 0.030 . 1 . . . . 22 GLU HG3 . 11230 1 205 . 1 1 22 22 GLU C C 13 174.851 0.300 . 1 . . . . 22 GLU C . 11230 1 206 . 1 1 22 22 GLU CA C 13 57.193 0.300 . 1 . . . . 22 GLU CA . 11230 1 207 . 1 1 22 22 GLU CB C 13 30.244 0.300 . 1 . . . . 22 GLU CB . 11230 1 208 . 1 1 22 22 GLU CG C 13 35.216 0.300 . 1 . . . . 22 GLU CG . 11230 1 209 . 1 1 22 22 GLU N N 15 121.290 0.300 . 1 . . . . 22 GLU N . 11230 1 210 . 1 1 23 23 GLY H H 1 9.051 0.030 . 1 . . . . 23 GLY H . 11230 1 211 . 1 1 23 23 GLY HA2 H 1 4.415 0.030 . 2 . . . . 23 GLY HA2 . 11230 1 212 . 1 1 23 23 GLY HA3 H 1 3.654 0.030 . 2 . . . . 23 GLY HA3 . 11230 1 213 . 1 1 23 23 GLY C C 13 175.292 0.300 . 1 . . . . 23 GLY C . 11230 1 214 . 1 1 23 23 GLY CA C 13 44.645 0.300 . 1 . . . . 23 GLY CA . 11230 1 215 . 1 1 23 23 GLY N N 15 111.956 0.300 . 1 . . . . 23 GLY N . 11230 1 216 . 1 1 24 24 GLY H H 1 7.597 0.030 . 1 . . . . 24 GLY H . 11230 1 217 . 1 1 24 24 GLY HA2 H 1 3.750 0.030 . 2 . . . . 24 GLY HA2 . 11230 1 218 . 1 1 24 24 GLY HA3 H 1 4.398 0.030 . 2 . . . . 24 GLY HA3 . 11230 1 219 . 1 1 24 24 GLY C C 13 170.244 0.300 . 1 . . . . 24 GLY C . 11230 1 220 . 1 1 24 24 GLY CA C 13 44.325 0.300 . 1 . . . . 24 GLY CA . 11230 1 221 . 1 1 24 24 GLY N N 15 108.904 0.300 . 1 . . . . 24 GLY N . 11230 1 222 . 1 1 25 25 ALA H H 1 7.964 0.030 . 1 . . . . 25 ALA H . 11230 1 223 . 1 1 25 25 ALA HA H 1 5.280 0.030 . 1 . . . . 25 ALA HA . 11230 1 224 . 1 1 25 25 ALA HB1 H 1 1.146 0.030 . 1 . . . . 25 ALA HB . 11230 1 225 . 1 1 25 25 ALA HB2 H 1 1.146 0.030 . 1 . . . . 25 ALA HB . 11230 1 226 . 1 1 25 25 ALA HB3 H 1 1.146 0.030 . 1 . . . . 25 ALA HB . 11230 1 227 . 1 1 25 25 ALA C C 13 176.931 0.300 . 1 . . . . 25 ALA C . 11230 1 228 . 1 1 25 25 ALA CA C 13 50.091 0.300 . 1 . . . . 25 ALA CA . 11230 1 229 . 1 1 25 25 ALA CB C 13 21.745 0.300 . 1 . . . . 25 ALA CB . 11230 1 230 . 1 1 25 25 ALA N N 15 120.474 0.300 . 1 . . . . 25 ALA N . 11230 1 231 . 1 1 26 26 ALA H H 1 8.767 0.030 . 1 . . . . 26 ALA H . 11230 1 232 . 1 1 26 26 ALA HA H 1 4.730 0.030 . 1 . . . . 26 ALA HA . 11230 1 233 . 1 1 26 26 ALA HB1 H 1 1.139 0.030 . 1 . . . . 26 ALA HB . 11230 1 234 . 1 1 26 26 ALA HB2 H 1 1.139 0.030 . 1 . . . . 26 ALA HB . 11230 1 235 . 1 1 26 26 ALA HB3 H 1 1.139 0.030 . 1 . . . . 26 ALA HB . 11230 1 236 . 1 1 26 26 ALA C C 13 175.091 0.300 . 1 . . . . 26 ALA C . 11230 1 237 . 1 1 26 26 ALA CA C 13 49.991 0.300 . 1 . . . . 26 ALA CA . 11230 1 238 . 1 1 26 26 ALA CB C 13 23.077 0.300 . 1 . . . . 26 ALA CB . 11230 1 239 . 1 1 26 26 ALA N N 15 123.922 0.300 . 1 . . . . 26 ALA N . 11230 1 240 . 1 1 27 27 THR H H 1 8.301 0.030 . 1 . . . . 27 THR H . 11230 1 241 . 1 1 27 27 THR HA H 1 4.858 0.030 . 1 . . . . 27 THR HA . 11230 1 242 . 1 1 27 27 THR HB H 1 3.862 0.030 . 1 . . . . 27 THR HB . 11230 1 243 . 1 1 27 27 THR HG21 H 1 0.948 0.030 . 1 . . . . 27 THR HG2 . 11230 1 244 . 1 1 27 27 THR HG22 H 1 0.948 0.030 . 1 . . . . 27 THR HG2 . 11230 1 245 . 1 1 27 27 THR HG23 H 1 0.948 0.030 . 1 . . . . 27 THR HG2 . 11230 1 246 . 1 1 27 27 THR C C 13 173.124 0.300 . 1 . . . . 27 THR C . 11230 1 247 . 1 1 27 27 THR CA C 13 62.025 0.300 . 1 . . . . 27 THR CA . 11230 1 248 . 1 1 27 27 THR CB C 13 69.379 0.300 . 1 . . . . 27 THR CB . 11230 1 249 . 1 1 27 27 THR CG2 C 13 21.363 0.300 . 1 . . . . 27 THR CG2 . 11230 1 250 . 1 1 27 27 THR N N 15 117.287 0.300 . 1 . . . . 27 THR N . 11230 1 251 . 1 1 28 28 LEU H H 1 9.578 0.030 . 1 . . . . 28 LEU H . 11230 1 252 . 1 1 28 28 LEU HA H 1 4.557 0.030 . 1 . . . . 28 LEU HA . 11230 1 253 . 1 1 28 28 LEU HB2 H 1 1.623 0.030 . 2 . . . . 28 LEU HB2 . 11230 1 254 . 1 1 28 28 LEU HB3 H 1 1.708 0.030 . 2 . . . . 28 LEU HB3 . 11230 1 255 . 1 1 28 28 LEU HD11 H 1 0.758 0.030 . 1 . . . . 28 LEU HD1 . 11230 1 256 . 1 1 28 28 LEU HD12 H 1 0.758 0.030 . 1 . . . . 28 LEU HD1 . 11230 1 257 . 1 1 28 28 LEU HD13 H 1 0.758 0.030 . 1 . . . . 28 LEU HD1 . 11230 1 258 . 1 1 28 28 LEU HD21 H 1 0.476 0.030 . 1 . . . . 28 LEU HD2 . 11230 1 259 . 1 1 28 28 LEU HD22 H 1 0.476 0.030 . 1 . . . . 28 LEU HD2 . 11230 1 260 . 1 1 28 28 LEU HD23 H 1 0.476 0.030 . 1 . . . . 28 LEU HD2 . 11230 1 261 . 1 1 28 28 LEU HG H 1 1.517 0.030 . 1 . . . . 28 LEU HG . 11230 1 262 . 1 1 28 28 LEU C C 13 174.435 0.300 . 1 . . . . 28 LEU C . 11230 1 263 . 1 1 28 28 LEU CA C 13 55.281 0.300 . 1 . . . . 28 LEU CA . 11230 1 264 . 1 1 28 28 LEU CB C 13 42.816 0.300 . 1 . . . . 28 LEU CB . 11230 1 265 . 1 1 28 28 LEU CD1 C 13 25.825 0.300 . 2 . . . . 28 LEU CD1 . 11230 1 266 . 1 1 28 28 LEU CD2 C 13 25.477 0.300 . 2 . . . . 28 LEU CD2 . 11230 1 267 . 1 1 28 28 LEU CG C 13 28.890 0.300 . 1 . . . . 28 LEU CG . 11230 1 268 . 1 1 28 28 LEU N N 15 131.066 0.300 . 1 . . . . 28 LEU N . 11230 1 269 . 1 1 29 29 ARG H H 1 7.931 0.030 . 1 . . . . 29 ARG H . 11230 1 270 . 1 1 29 29 ARG HA H 1 5.849 0.030 . 1 . . . . 29 ARG HA . 11230 1 271 . 1 1 29 29 ARG HB2 H 1 1.804 0.030 . 2 . . . . 29 ARG HB2 . 11230 1 272 . 1 1 29 29 ARG HB3 H 1 1.690 0.030 . 2 . . . . 29 ARG HB3 . 11230 1 273 . 1 1 29 29 ARG HD2 H 1 3.177 0.030 . 1 . . . . 29 ARG HD2 . 11230 1 274 . 1 1 29 29 ARG HD3 H 1 3.177 0.030 . 1 . . . . 29 ARG HD3 . 11230 1 275 . 1 1 29 29 ARG HE H 1 7.632 0.030 . 1 . . . . 29 ARG HE . 11230 1 276 . 1 1 29 29 ARG HG2 H 1 1.643 0.030 . 2 . . . . 29 ARG HG2 . 11230 1 277 . 1 1 29 29 ARG HG3 H 1 1.547 0.030 . 2 . . . . 29 ARG HG3 . 11230 1 278 . 1 1 29 29 ARG C C 13 174.999 0.300 . 1 . . . . 29 ARG C . 11230 1 279 . 1 1 29 29 ARG CA C 13 54.455 0.300 . 1 . . . . 29 ARG CA . 11230 1 280 . 1 1 29 29 ARG CB C 13 34.772 0.300 . 1 . . . . 29 ARG CB . 11230 1 281 . 1 1 29 29 ARG CD C 13 43.667 0.300 . 1 . . . . 29 ARG CD . 11230 1 282 . 1 1 29 29 ARG CG C 13 28.105 0.300 . 1 . . . . 29 ARG CG . 11230 1 283 . 1 1 29 29 ARG N N 15 120.670 0.300 . 1 . . . . 29 ARG N . 11230 1 284 . 1 1 29 29 ARG NE N 15 85.500 0.300 . 1 . . . . 29 ARG NE . 11230 1 285 . 1 1 30 30 CYS H H 1 9.226 0.030 . 1 . . . . 30 CYS H . 11230 1 286 . 1 1 30 30 CYS HA H 1 4.770 0.030 . 1 . . . . 30 CYS HA . 11230 1 287 . 1 1 30 30 CYS HB2 H 1 3.243 0.030 . 2 . . . . 30 CYS HB2 . 11230 1 288 . 1 1 30 30 CYS HB3 H 1 2.916 0.030 . 2 . . . . 30 CYS HB3 . 11230 1 289 . 1 1 30 30 CYS C C 13 172.054 0.300 . 1 . . . . 30 CYS C . 11230 1 290 . 1 1 30 30 CYS CA C 13 56.592 0.300 . 1 . . . . 30 CYS CA . 11230 1 291 . 1 1 30 30 CYS CB C 13 30.629 0.300 . 1 . . . . 30 CYS CB . 11230 1 292 . 1 1 30 30 CYS N N 15 117.659 0.300 . 1 . . . . 30 CYS N . 11230 1 293 . 1 1 31 31 VAL H H 1 8.608 0.030 . 1 . . . . 31 VAL H . 11230 1 294 . 1 1 31 31 VAL HA H 1 5.195 0.030 . 1 . . . . 31 VAL HA . 11230 1 295 . 1 1 31 31 VAL HB H 1 1.745 0.030 . 1 . . . . 31 VAL HB . 11230 1 296 . 1 1 31 31 VAL HG11 H 1 0.904 0.030 . 1 . . . . 31 VAL HG1 . 11230 1 297 . 1 1 31 31 VAL HG12 H 1 0.904 0.030 . 1 . . . . 31 VAL HG1 . 11230 1 298 . 1 1 31 31 VAL HG13 H 1 0.904 0.030 . 1 . . . . 31 VAL HG1 . 11230 1 299 . 1 1 31 31 VAL HG21 H 1 1.017 0.030 . 1 . . . . 31 VAL HG2 . 11230 1 300 . 1 1 31 31 VAL HG22 H 1 1.017 0.030 . 1 . . . . 31 VAL HG2 . 11230 1 301 . 1 1 31 31 VAL HG23 H 1 1.017 0.030 . 1 . . . . 31 VAL HG2 . 11230 1 302 . 1 1 31 31 VAL C C 13 177.014 0.300 . 1 . . . . 31 VAL C . 11230 1 303 . 1 1 31 31 VAL CA C 13 61.449 0.300 . 1 . . . . 31 VAL CA . 11230 1 304 . 1 1 31 31 VAL CB C 13 36.946 0.300 . 1 . . . . 31 VAL CB . 11230 1 305 . 1 1 31 31 VAL CG1 C 13 21.752 0.300 . 2 . . . . 31 VAL CG1 . 11230 1 306 . 1 1 31 31 VAL CG2 C 13 21.048 0.300 . 2 . . . . 31 VAL CG2 . 11230 1 307 . 1 1 31 31 VAL N N 15 116.831 0.300 . 1 . . . . 31 VAL N . 11230 1 308 . 1 1 32 32 LEU H H 1 9.143 0.030 . 1 . . . . 32 LEU H . 11230 1 309 . 1 1 32 32 LEU HA H 1 4.649 0.030 . 1 . . . . 32 LEU HA . 11230 1 310 . 1 1 32 32 LEU HB2 H 1 1.429 0.030 . 2 . . . . 32 LEU HB2 . 11230 1 311 . 1 1 32 32 LEU HB3 H 1 1.833 0.030 . 2 . . . . 32 LEU HB3 . 11230 1 312 . 1 1 32 32 LEU HD11 H 1 0.495 0.030 . 1 . . . . 32 LEU HD1 . 11230 1 313 . 1 1 32 32 LEU HD12 H 1 0.495 0.030 . 1 . . . . 32 LEU HD1 . 11230 1 314 . 1 1 32 32 LEU HD13 H 1 0.495 0.030 . 1 . . . . 32 LEU HD1 . 11230 1 315 . 1 1 32 32 LEU HD21 H 1 -0.255 0.030 . 1 . . . . 32 LEU HD2 . 11230 1 316 . 1 1 32 32 LEU HD22 H 1 -0.255 0.030 . 1 . . . . 32 LEU HD2 . 11230 1 317 . 1 1 32 32 LEU HD23 H 1 -0.255 0.030 . 1 . . . . 32 LEU HD2 . 11230 1 318 . 1 1 32 32 LEU HG H 1 1.478 0.030 . 1 . . . . 32 LEU HG . 11230 1 319 . 1 1 32 32 LEU C C 13 176.965 0.300 . 1 . . . . 32 LEU C . 11230 1 320 . 1 1 32 32 LEU CA C 13 54.510 0.300 . 1 . . . . 32 LEU CA . 11230 1 321 . 1 1 32 32 LEU CB C 13 45.602 0.300 . 1 . . . . 32 LEU CB . 11230 1 322 . 1 1 32 32 LEU CD1 C 13 26.252 0.300 . 2 . . . . 32 LEU CD1 . 11230 1 323 . 1 1 32 32 LEU CD2 C 13 22.193 0.300 . 2 . . . . 32 LEU CD2 . 11230 1 324 . 1 1 32 32 LEU CG C 13 26.409 0.300 . 1 . . . . 32 LEU CG . 11230 1 325 . 1 1 32 32 LEU N N 15 128.633 0.300 . 1 . . . . 32 LEU N . 11230 1 326 . 1 1 33 33 SER H H 1 9.045 0.030 . 1 . . . . 33 SER H . 11230 1 327 . 1 1 33 33 SER HA H 1 4.027 0.030 . 1 . . . . 33 SER HA . 11230 1 328 . 1 1 33 33 SER HB2 H 1 3.638 0.030 . 2 . . . . 33 SER HB2 . 11230 1 329 . 1 1 33 33 SER HB3 H 1 4.140 0.030 . 2 . . . . 33 SER HB3 . 11230 1 330 . 1 1 33 33 SER C C 13 173.748 0.300 . 1 . . . . 33 SER C . 11230 1 331 . 1 1 33 33 SER CA C 13 60.253 0.300 . 1 . . . . 33 SER CA . 11230 1 332 . 1 1 33 33 SER CB C 13 63.060 0.300 . 1 . . . . 33 SER CB . 11230 1 333 . 1 1 33 33 SER N N 15 113.094 0.300 . 1 . . . . 33 SER N . 11230 1 334 . 1 1 34 34 SER H H 1 7.279 0.030 . 1 . . . . 34 SER H . 11230 1 335 . 1 1 34 34 SER HA H 1 4.360 0.030 . 1 . . . . 34 SER HA . 11230 1 336 . 1 1 34 34 SER HB2 H 1 3.644 0.030 . 2 . . . . 34 SER HB2 . 11230 1 337 . 1 1 34 34 SER HB3 H 1 3.727 0.030 . 2 . . . . 34 SER HB3 . 11230 1 338 . 1 1 34 34 SER C C 13 171.432 0.300 . 1 . . . . 34 SER C . 11230 1 339 . 1 1 34 34 SER CA C 13 56.775 0.300 . 1 . . . . 34 SER CA . 11230 1 340 . 1 1 34 34 SER CB C 13 64.725 0.300 . 1 . . . . 34 SER CB . 11230 1 341 . 1 1 34 34 SER N N 15 113.673 0.300 . 1 . . . . 34 SER N . 11230 1 342 . 1 1 35 35 VAL H H 1 8.083 0.030 . 1 . . . . 35 VAL H . 11230 1 343 . 1 1 35 35 VAL HA H 1 3.124 0.030 . 1 . . . . 35 VAL HA . 11230 1 344 . 1 1 35 35 VAL HB H 1 1.867 0.030 . 1 . . . . 35 VAL HB . 11230 1 345 . 1 1 35 35 VAL HG11 H 1 0.863 0.030 . 1 . . . . 35 VAL HG1 . 11230 1 346 . 1 1 35 35 VAL HG12 H 1 0.863 0.030 . 1 . . . . 35 VAL HG1 . 11230 1 347 . 1 1 35 35 VAL HG13 H 1 0.863 0.030 . 1 . . . . 35 VAL HG1 . 11230 1 348 . 1 1 35 35 VAL HG21 H 1 0.725 0.030 . 1 . . . . 35 VAL HG2 . 11230 1 349 . 1 1 35 35 VAL HG22 H 1 0.725 0.030 . 1 . . . . 35 VAL HG2 . 11230 1 350 . 1 1 35 35 VAL HG23 H 1 0.725 0.030 . 1 . . . . 35 VAL HG2 . 11230 1 351 . 1 1 35 35 VAL C C 13 174.584 0.300 . 1 . . . . 35 VAL C . 11230 1 352 . 1 1 35 35 VAL CA C 13 65.625 0.300 . 1 . . . . 35 VAL CA . 11230 1 353 . 1 1 35 35 VAL CB C 13 30.617 0.300 . 1 . . . . 35 VAL CB . 11230 1 354 . 1 1 35 35 VAL CG1 C 13 21.418 0.300 . 2 . . . . 35 VAL CG1 . 11230 1 355 . 1 1 35 35 VAL CG2 C 13 20.882 0.300 . 2 . . . . 35 VAL CG2 . 11230 1 356 . 1 1 35 35 VAL N N 15 118.031 0.300 . 1 . . . . 35 VAL N . 11230 1 357 . 1 1 36 36 ALA H H 1 6.743 0.030 . 1 . . . . 36 ALA H . 11230 1 358 . 1 1 36 36 ALA HA H 1 4.297 0.030 . 1 . . . . 36 ALA HA . 11230 1 359 . 1 1 36 36 ALA HB1 H 1 0.537 0.030 . 1 . . . . 36 ALA HB . 11230 1 360 . 1 1 36 36 ALA HB2 H 1 0.537 0.030 . 1 . . . . 36 ALA HB . 11230 1 361 . 1 1 36 36 ALA HB3 H 1 0.537 0.030 . 1 . . . . 36 ALA HB . 11230 1 362 . 1 1 36 36 ALA C C 13 173.336 0.300 . 1 . . . . 36 ALA C . 11230 1 363 . 1 1 36 36 ALA CA C 13 51.106 0.300 . 1 . . . . 36 ALA CA . 11230 1 364 . 1 1 36 36 ALA CB C 13 21.907 0.300 . 1 . . . . 36 ALA CB . 11230 1 365 . 1 1 36 36 ALA N N 15 130.018 0.300 . 1 . . . . 36 ALA N . 11230 1 366 . 1 1 37 37 ALA H H 1 7.934 0.030 . 1 . . . . 37 ALA H . 11230 1 367 . 1 1 37 37 ALA HA H 1 4.409 0.030 . 1 . . . . 37 ALA HA . 11230 1 368 . 1 1 37 37 ALA HB1 H 1 1.389 0.030 . 1 . . . . 37 ALA HB . 11230 1 369 . 1 1 37 37 ALA HB2 H 1 1.389 0.030 . 1 . . . . 37 ALA HB . 11230 1 370 . 1 1 37 37 ALA HB3 H 1 1.389 0.030 . 1 . . . . 37 ALA HB . 11230 1 371 . 1 1 37 37 ALA C C 13 174.444 0.300 . 1 . . . . 37 ALA C . 11230 1 372 . 1 1 37 37 ALA CA C 13 50.703 0.300 . 1 . . . . 37 ALA CA . 11230 1 373 . 1 1 37 37 ALA CB C 13 21.366 0.300 . 1 . . . . 37 ALA CB . 11230 1 374 . 1 1 37 37 ALA N N 15 118.927 0.300 . 1 . . . . 37 ALA N . 11230 1 375 . 1 1 38 38 PRO HA H 1 4.942 0.030 . 1 . . . . 38 PRO HA . 11230 1 376 . 1 1 38 38 PRO HB2 H 1 2.463 0.030 . 2 . . . . 38 PRO HB2 . 11230 1 377 . 1 1 38 38 PRO HB3 H 1 2.240 0.030 . 2 . . . . 38 PRO HB3 . 11230 1 378 . 1 1 38 38 PRO HD2 H 1 3.633 0.030 . 2 . . . . 38 PRO HD2 . 11230 1 379 . 1 1 38 38 PRO HD3 H 1 3.718 0.030 . 2 . . . . 38 PRO HD3 . 11230 1 380 . 1 1 38 38 PRO HG2 H 1 2.083 0.030 . 2 . . . . 38 PRO HG2 . 11230 1 381 . 1 1 38 38 PRO HG3 H 1 1.932 0.030 . 2 . . . . 38 PRO HG3 . 11230 1 382 . 1 1 38 38 PRO C C 13 175.872 0.300 . 1 . . . . 38 PRO C . 11230 1 383 . 1 1 38 38 PRO CA C 13 62.326 0.300 . 1 . . . . 38 PRO CA . 11230 1 384 . 1 1 38 38 PRO CB C 13 34.779 0.300 . 1 . . . . 38 PRO CB . 11230 1 385 . 1 1 38 38 PRO CD C 13 50.182 0.300 . 1 . . . . 38 PRO CD . 11230 1 386 . 1 1 38 38 PRO CG C 13 24.068 0.300 . 1 . . . . 38 PRO CG . 11230 1 387 . 1 1 39 39 VAL H H 1 8.438 0.030 . 1 . . . . 39 VAL H . 11230 1 388 . 1 1 39 39 VAL HA H 1 5.128 0.030 . 1 . . . . 39 VAL HA . 11230 1 389 . 1 1 39 39 VAL HB H 1 2.205 0.030 . 1 . . . . 39 VAL HB . 11230 1 390 . 1 1 39 39 VAL HG11 H 1 0.935 0.030 . 1 . . . . 39 VAL HG1 . 11230 1 391 . 1 1 39 39 VAL HG12 H 1 0.935 0.030 . 1 . . . . 39 VAL HG1 . 11230 1 392 . 1 1 39 39 VAL HG13 H 1 0.935 0.030 . 1 . . . . 39 VAL HG1 . 11230 1 393 . 1 1 39 39 VAL HG21 H 1 0.803 0.030 . 1 . . . . 39 VAL HG2 . 11230 1 394 . 1 1 39 39 VAL HG22 H 1 0.803 0.030 . 1 . . . . 39 VAL HG2 . 11230 1 395 . 1 1 39 39 VAL HG23 H 1 0.803 0.030 . 1 . . . . 39 VAL HG2 . 11230 1 396 . 1 1 39 39 VAL C C 13 175.692 0.300 . 1 . . . . 39 VAL C . 11230 1 397 . 1 1 39 39 VAL CA C 13 59.875 0.300 . 1 . . . . 39 VAL CA . 11230 1 398 . 1 1 39 39 VAL CB C 13 33.642 0.300 . 1 . . . . 39 VAL CB . 11230 1 399 . 1 1 39 39 VAL CG1 C 13 21.396 0.300 . 2 . . . . 39 VAL CG1 . 11230 1 400 . 1 1 39 39 VAL CG2 C 13 18.282 0.300 . 2 . . . . 39 VAL CG2 . 11230 1 401 . 1 1 39 39 VAL N N 15 112.042 0.300 . 1 . . . . 39 VAL N . 11230 1 402 . 1 1 40 40 LYS H H 1 8.724 0.030 . 1 . . . . 40 LYS H . 11230 1 403 . 1 1 40 40 LYS HA H 1 4.816 0.030 . 1 . . . . 40 LYS HA . 11230 1 404 . 1 1 40 40 LYS HB2 H 1 1.686 0.030 . 1 . . . . 40 LYS HB2 . 11230 1 405 . 1 1 40 40 LYS HB3 H 1 1.686 0.030 . 1 . . . . 40 LYS HB3 . 11230 1 406 . 1 1 40 40 LYS HD2 H 1 1.581 0.030 . 1 . . . . 40 LYS HD2 . 11230 1 407 . 1 1 40 40 LYS HD3 H 1 1.581 0.030 . 1 . . . . 40 LYS HD3 . 11230 1 408 . 1 1 40 40 LYS HE2 H 1 2.828 0.030 . 1 . . . . 40 LYS HE2 . 11230 1 409 . 1 1 40 40 LYS HE3 H 1 2.828 0.030 . 1 . . . . 40 LYS HE3 . 11230 1 410 . 1 1 40 40 LYS HG2 H 1 1.285 0.030 . 2 . . . . 40 LYS HG2 . 11230 1 411 . 1 1 40 40 LYS HG3 H 1 1.501 0.030 . 2 . . . . 40 LYS HG3 . 11230 1 412 . 1 1 40 40 LYS C C 13 175.110 0.300 . 1 . . . . 40 LYS C . 11230 1 413 . 1 1 40 40 LYS CA C 13 55.292 0.300 . 1 . . . . 40 LYS CA . 11230 1 414 . 1 1 40 40 LYS CB C 13 35.943 0.300 . 1 . . . . 40 LYS CB . 11230 1 415 . 1 1 40 40 LYS CD C 13 29.473 0.300 . 1 . . . . 40 LYS CD . 11230 1 416 . 1 1 40 40 LYS CE C 13 41.668 0.300 . 1 . . . . 40 LYS CE . 11230 1 417 . 1 1 40 40 LYS CG C 13 24.607 0.300 . 1 . . . . 40 LYS CG . 11230 1 418 . 1 1 40 40 LYS N N 15 123.111 0.300 . 1 . . . . 40 LYS N . 11230 1 419 . 1 1 41 41 TRP H H 1 9.562 0.030 . 1 . . . . 41 TRP H . 11230 1 420 . 1 1 41 41 TRP HA H 1 5.805 0.030 . 1 . . . . 41 TRP HA . 11230 1 421 . 1 1 41 41 TRP HB2 H 1 3.007 0.030 . 2 . . . . 41 TRP HB2 . 11230 1 422 . 1 1 41 41 TRP HB3 H 1 3.140 0.030 . 2 . . . . 41 TRP HB3 . 11230 1 423 . 1 1 41 41 TRP HD1 H 1 7.206 0.030 . 1 . . . . 41 TRP HD1 . 11230 1 424 . 1 1 41 41 TRP HE1 H 1 10.928 0.030 . 1 . . . . 41 TRP HE1 . 11230 1 425 . 1 1 41 41 TRP HE3 H 1 7.505 0.030 . 1 . . . . 41 TRP HE3 . 11230 1 426 . 1 1 41 41 TRP HH2 H 1 6.831 0.030 . 1 . . . . 41 TRP HH2 . 11230 1 427 . 1 1 41 41 TRP HZ2 H 1 7.073 0.030 . 1 . . . . 41 TRP HZ2 . 11230 1 428 . 1 1 41 41 TRP HZ3 H 1 6.701 0.030 . 1 . . . . 41 TRP HZ3 . 11230 1 429 . 1 1 41 41 TRP C C 13 176.374 0.300 . 1 . . . . 41 TRP C . 11230 1 430 . 1 1 41 41 TRP CA C 13 56.177 0.300 . 1 . . . . 41 TRP CA . 11230 1 431 . 1 1 41 41 TRP CB C 13 32.266 0.300 . 1 . . . . 41 TRP CB . 11230 1 432 . 1 1 41 41 TRP CD1 C 13 127.452 0.300 . 1 . . . . 41 TRP CD1 . 11230 1 433 . 1 1 41 41 TRP CE3 C 13 121.267 0.300 . 1 . . . . 41 TRP CE3 . 11230 1 434 . 1 1 41 41 TRP CH2 C 13 124.466 0.300 . 1 . . . . 41 TRP CH2 . 11230 1 435 . 1 1 41 41 TRP CZ2 C 13 115.165 0.300 . 1 . . . . 41 TRP CZ2 . 11230 1 436 . 1 1 41 41 TRP CZ3 C 13 120.889 0.300 . 1 . . . . 41 TRP CZ3 . 11230 1 437 . 1 1 41 41 TRP N N 15 129.188 0.300 . 1 . . . . 41 TRP N . 11230 1 438 . 1 1 41 41 TRP NE1 N 15 131.300 0.300 . 1 . . . . 41 TRP NE1 . 11230 1 439 . 1 1 42 42 CYS H H 1 9.302 0.030 . 1 . . . . 42 CYS H . 11230 1 440 . 1 1 42 42 CYS HA H 1 5.553 0.030 . 1 . . . . 42 CYS HA . 11230 1 441 . 1 1 42 42 CYS HB2 H 1 2.580 0.030 . 2 . . . . 42 CYS HB2 . 11230 1 442 . 1 1 42 42 CYS HB3 H 1 2.689 0.030 . 2 . . . . 42 CYS HB3 . 11230 1 443 . 1 1 42 42 CYS C C 13 173.434 0.300 . 1 . . . . 42 CYS C . 11230 1 444 . 1 1 42 42 CYS CA C 13 57.009 0.300 . 1 . . . . 42 CYS CA . 11230 1 445 . 1 1 42 42 CYS CB C 13 33.113 0.300 . 1 . . . . 42 CYS CB . 11230 1 446 . 1 1 42 42 CYS N N 15 116.744 0.300 . 1 . . . . 42 CYS N . 11230 1 447 . 1 1 43 43 TYR H H 1 8.362 0.030 . 1 . . . . 43 TYR H . 11230 1 448 . 1 1 43 43 TYR HA H 1 4.772 0.030 . 1 . . . . 43 TYR HA . 11230 1 449 . 1 1 43 43 TYR HB2 H 1 2.697 0.030 . 1 . . . . 43 TYR HB2 . 11230 1 450 . 1 1 43 43 TYR HB3 H 1 2.697 0.030 . 1 . . . . 43 TYR HB3 . 11230 1 451 . 1 1 43 43 TYR HD1 H 1 6.279 0.030 . 1 . . . . 43 TYR HD1 . 11230 1 452 . 1 1 43 43 TYR HD2 H 1 6.279 0.030 . 1 . . . . 43 TYR HD2 . 11230 1 453 . 1 1 43 43 TYR HE1 H 1 6.436 0.030 . 1 . . . . 43 TYR HE1 . 11230 1 454 . 1 1 43 43 TYR HE2 H 1 6.436 0.030 . 1 . . . . 43 TYR HE2 . 11230 1 455 . 1 1 43 43 TYR C C 13 176.711 0.300 . 1 . . . . 43 TYR C . 11230 1 456 . 1 1 43 43 TYR CA C 13 55.281 0.300 . 1 . . . . 43 TYR CA . 11230 1 457 . 1 1 43 43 TYR CB C 13 40.757 0.300 . 1 . . . . 43 TYR CB . 11230 1 458 . 1 1 43 43 TYR CD1 C 13 132.724 0.300 . 1 . . . . 43 TYR CD1 . 11230 1 459 . 1 1 43 43 TYR CD2 C 13 132.724 0.300 . 1 . . . . 43 TYR CD2 . 11230 1 460 . 1 1 43 43 TYR CE1 C 13 117.245 0.300 . 1 . . . . 43 TYR CE1 . 11230 1 461 . 1 1 43 43 TYR CE2 C 13 117.245 0.300 . 1 . . . . 43 TYR CE2 . 11230 1 462 . 1 1 43 43 TYR N N 15 121.603 0.300 . 1 . . . . 43 TYR N . 11230 1 463 . 1 1 44 44 GLY H H 1 8.740 0.030 . 1 . . . . 44 GLY H . 11230 1 464 . 1 1 44 44 GLY HA2 H 1 3.603 0.030 . 2 . . . . 44 GLY HA2 . 11230 1 465 . 1 1 44 44 GLY HA3 H 1 3.352 0.030 . 2 . . . . 44 GLY HA3 . 11230 1 466 . 1 1 44 44 GLY CA C 13 47.060 0.300 . 1 . . . . 44 GLY CA . 11230 1 467 . 1 1 44 44 GLY N N 15 118.953 0.300 . 1 . . . . 44 GLY N . 11230 1 468 . 1 1 45 45 ASN HA H 1 4.674 0.030 . 1 . . . . 45 ASN HA . 11230 1 469 . 1 1 45 45 ASN HB2 H 1 2.666 0.030 . 2 . . . . 45 ASN HB2 . 11230 1 470 . 1 1 45 45 ASN HB3 H 1 2.897 0.030 . 2 . . . . 45 ASN HB3 . 11230 1 471 . 1 1 45 45 ASN HD21 H 1 7.523 0.030 . 2 . . . . 45 ASN HD21 . 11230 1 472 . 1 1 45 45 ASN HD22 H 1 6.862 0.030 . 2 . . . . 45 ASN HD22 . 11230 1 473 . 1 1 45 45 ASN C C 13 174.585 0.300 . 1 . . . . 45 ASN C . 11230 1 474 . 1 1 45 45 ASN CA C 13 52.995 0.300 . 1 . . . . 45 ASN CA . 11230 1 475 . 1 1 45 45 ASN CB C 13 38.604 0.300 . 1 . . . . 45 ASN CB . 11230 1 476 . 1 1 45 45 ASN ND2 N 15 112.785 0.300 . 1 . . . . 45 ASN ND2 . 11230 1 477 . 1 1 46 46 ASN H H 1 8.214 0.030 . 1 . . . . 46 ASN H . 11230 1 478 . 1 1 46 46 ASN HA H 1 4.858 0.030 . 1 . . . . 46 ASN HA . 11230 1 479 . 1 1 46 46 ASN HB2 H 1 3.047 0.030 . 2 . . . . 46 ASN HB2 . 11230 1 480 . 1 1 46 46 ASN HB3 H 1 2.766 0.030 . 2 . . . . 46 ASN HB3 . 11230 1 481 . 1 1 46 46 ASN HD21 H 1 7.404 0.030 . 2 . . . . 46 ASN HD21 . 11230 1 482 . 1 1 46 46 ASN HD22 H 1 7.052 0.030 . 2 . . . . 46 ASN HD22 . 11230 1 483 . 1 1 46 46 ASN C C 13 173.973 0.300 . 1 . . . . 46 ASN C . 11230 1 484 . 1 1 46 46 ASN CA C 13 53.025 0.300 . 1 . . . . 46 ASN CA . 11230 1 485 . 1 1 46 46 ASN CB C 13 40.137 0.300 . 1 . . . . 46 ASN CB . 11230 1 486 . 1 1 46 46 ASN N N 15 119.351 0.300 . 1 . . . . 46 ASN N . 11230 1 487 . 1 1 46 46 ASN ND2 N 15 114.190 0.300 . 1 . . . . 46 ASN ND2 . 11230 1 488 . 1 1 47 47 VAL H H 1 8.653 0.030 . 1 . . . . 47 VAL H . 11230 1 489 . 1 1 47 47 VAL HA H 1 4.441 0.030 . 1 . . . . 47 VAL HA . 11230 1 490 . 1 1 47 47 VAL HB H 1 1.979 0.030 . 1 . . . . 47 VAL HB . 11230 1 491 . 1 1 47 47 VAL HG11 H 1 1.037 0.030 . 1 . . . . 47 VAL HG1 . 11230 1 492 . 1 1 47 47 VAL HG12 H 1 1.037 0.030 . 1 . . . . 47 VAL HG1 . 11230 1 493 . 1 1 47 47 VAL HG13 H 1 1.037 0.030 . 1 . . . . 47 VAL HG1 . 11230 1 494 . 1 1 47 47 VAL HG21 H 1 1.037 0.030 . 1 . . . . 47 VAL HG2 . 11230 1 495 . 1 1 47 47 VAL HG22 H 1 1.037 0.030 . 1 . . . . 47 VAL HG2 . 11230 1 496 . 1 1 47 47 VAL HG23 H 1 1.037 0.030 . 1 . . . . 47 VAL HG2 . 11230 1 497 . 1 1 47 47 VAL C C 13 176.524 0.300 . 1 . . . . 47 VAL C . 11230 1 498 . 1 1 47 47 VAL CA C 13 63.031 0.300 . 1 . . . . 47 VAL CA . 11230 1 499 . 1 1 47 47 VAL CB C 13 32.145 0.300 . 1 . . . . 47 VAL CB . 11230 1 500 . 1 1 47 47 VAL CG1 C 13 22.493 0.300 . 2 . . . . 47 VAL CG1 . 11230 1 501 . 1 1 47 47 VAL CG2 C 13 21.450 0.300 . 2 . . . . 47 VAL CG2 . 11230 1 502 . 1 1 47 47 VAL N N 15 125.139 0.300 . 1 . . . . 47 VAL N . 11230 1 503 . 1 1 48 48 LEU H H 1 8.907 0.030 . 1 . . . . 48 LEU H . 11230 1 504 . 1 1 48 48 LEU HA H 1 4.352 0.030 . 1 . . . . 48 LEU HA . 11230 1 505 . 1 1 48 48 LEU HB2 H 1 0.569 0.030 . 2 . . . . 48 LEU HB2 . 11230 1 506 . 1 1 48 48 LEU HB3 H 1 1.491 0.030 . 2 . . . . 48 LEU HB3 . 11230 1 507 . 1 1 48 48 LEU HD11 H 1 0.339 0.030 . 1 . . . . 48 LEU HD1 . 11230 1 508 . 1 1 48 48 LEU HD12 H 1 0.339 0.030 . 1 . . . . 48 LEU HD1 . 11230 1 509 . 1 1 48 48 LEU HD13 H 1 0.339 0.030 . 1 . . . . 48 LEU HD1 . 11230 1 510 . 1 1 48 48 LEU HD21 H 1 0.452 0.030 . 1 . . . . 48 LEU HD2 . 11230 1 511 . 1 1 48 48 LEU HD22 H 1 0.452 0.030 . 1 . . . . 48 LEU HD2 . 11230 1 512 . 1 1 48 48 LEU HD23 H 1 0.452 0.030 . 1 . . . . 48 LEU HD2 . 11230 1 513 . 1 1 48 48 LEU HG H 1 1.458 0.030 . 1 . . . . 48 LEU HG . 11230 1 514 . 1 1 48 48 LEU C C 13 175.656 0.300 . 1 . . . . 48 LEU C . 11230 1 515 . 1 1 48 48 LEU CA C 13 54.246 0.300 . 1 . . . . 48 LEU CA . 11230 1 516 . 1 1 48 48 LEU CB C 13 41.810 0.300 . 1 . . . . 48 LEU CB . 11230 1 517 . 1 1 48 48 LEU CD1 C 13 20.946 0.300 . 2 . . . . 48 LEU CD1 . 11230 1 518 . 1 1 48 48 LEU CD2 C 13 26.005 0.300 . 2 . . . . 48 LEU CD2 . 11230 1 519 . 1 1 48 48 LEU CG C 13 26.007 0.300 . 1 . . . . 48 LEU CG . 11230 1 520 . 1 1 48 48 LEU N N 15 128.163 0.300 . 1 . . . . 48 LEU N . 11230 1 521 . 1 1 49 49 ARG H H 1 8.188 0.030 . 1 . . . . 49 ARG H . 11230 1 522 . 1 1 49 49 ARG HA H 1 4.898 0.030 . 1 . . . . 49 ARG HA . 11230 1 523 . 1 1 49 49 ARG HB2 H 1 1.738 0.030 . 2 . . . . 49 ARG HB2 . 11230 1 524 . 1 1 49 49 ARG HB3 H 1 1.961 0.030 . 2 . . . . 49 ARG HB3 . 11230 1 525 . 1 1 49 49 ARG HD2 H 1 3.297 0.030 . 1 . . . . 49 ARG HD2 . 11230 1 526 . 1 1 49 49 ARG HD3 H 1 3.297 0.030 . 1 . . . . 49 ARG HD3 . 11230 1 527 . 1 1 49 49 ARG HG2 H 1 1.724 0.030 . 1 . . . . 49 ARG HG2 . 11230 1 528 . 1 1 49 49 ARG HG3 H 1 1.724 0.030 . 1 . . . . 49 ARG HG3 . 11230 1 529 . 1 1 49 49 ARG C C 13 173.070 0.300 . 1 . . . . 49 ARG C . 11230 1 530 . 1 1 49 49 ARG CA C 13 52.339 0.300 . 1 . . . . 49 ARG CA . 11230 1 531 . 1 1 49 49 ARG CB C 13 31.326 0.300 . 1 . . . . 49 ARG CB . 11230 1 532 . 1 1 49 49 ARG CD C 13 43.203 0.300 . 1 . . . . 49 ARG CD . 11230 1 533 . 1 1 49 49 ARG CG C 13 26.816 0.300 . 1 . . . . 49 ARG CG . 11230 1 534 . 1 1 49 49 ARG N N 15 120.376 0.300 . 1 . . . . 49 ARG N . 11230 1 535 . 1 1 50 50 PRO HA H 1 4.577 0.030 . 1 . . . . 50 PRO HA . 11230 1 536 . 1 1 50 50 PRO HB2 H 1 2.532 0.030 . 2 . . . . 50 PRO HB2 . 11230 1 537 . 1 1 50 50 PRO HB3 H 1 2.116 0.030 . 2 . . . . 50 PRO HB3 . 11230 1 538 . 1 1 50 50 PRO HD2 H 1 3.781 0.030 . 2 . . . . 50 PRO HD2 . 11230 1 539 . 1 1 50 50 PRO HD3 H 1 3.842 0.030 . 2 . . . . 50 PRO HD3 . 11230 1 540 . 1 1 50 50 PRO HG2 H 1 2.306 0.030 . 2 . . . . 50 PRO HG2 . 11230 1 541 . 1 1 50 50 PRO HG3 H 1 2.127 0.030 . 2 . . . . 50 PRO HG3 . 11230 1 542 . 1 1 50 50 PRO C C 13 177.241 0.300 . 1 . . . . 50 PRO C . 11230 1 543 . 1 1 50 50 PRO CA C 13 62.561 0.300 . 1 . . . . 50 PRO CA . 11230 1 544 . 1 1 50 50 PRO CB C 13 32.585 0.300 . 1 . . . . 50 PRO CB . 11230 1 545 . 1 1 50 50 PRO CD C 13 50.682 0.300 . 1 . . . . 50 PRO CD . 11230 1 546 . 1 1 50 50 PRO CG C 13 28.028 0.300 . 1 . . . . 50 PRO CG . 11230 1 547 . 1 1 51 51 GLY H H 1 8.767 0.030 . 1 . . . . 51 GLY H . 11230 1 548 . 1 1 51 51 GLY HA2 H 1 4.241 0.030 . 2 . . . . 51 GLY HA2 . 11230 1 549 . 1 1 51 51 GLY HA3 H 1 4.044 0.030 . 2 . . . . 51 GLY HA3 . 11230 1 550 . 1 1 51 51 GLY C C 13 172.954 0.300 . 1 . . . . 51 GLY C . 11230 1 551 . 1 1 51 51 GLY CA C 13 46.441 0.300 . 1 . . . . 51 GLY CA . 11230 1 552 . 1 1 51 51 GLY N N 15 112.050 0.300 . 1 . . . . 51 GLY N . 11230 1 553 . 1 1 52 52 ASP HA H 1 4.294 0.030 . 1 . . . . 52 ASP HA . 11230 1 554 . 1 1 52 52 ASP HB2 H 1 2.556 0.030 . 2 . . . . 52 ASP HB2 . 11230 1 555 . 1 1 52 52 ASP HB3 H 1 2.598 0.030 . 2 . . . . 52 ASP HB3 . 11230 1 556 . 1 1 52 52 ASP C C 13 176.992 0.300 . 1 . . . . 52 ASP C . 11230 1 557 . 1 1 52 52 ASP CA C 13 56.561 0.300 . 1 . . . . 52 ASP CA . 11230 1 558 . 1 1 52 52 ASP CB C 13 40.544 0.300 . 1 . . . . 52 ASP CB . 11230 1 559 . 1 1 53 53 LYS H H 1 7.980 0.030 . 1 . . . . 53 LYS H . 11230 1 560 . 1 1 53 53 LYS HA H 1 4.052 0.030 . 1 . . . . 53 LYS HA . 11230 1 561 . 1 1 53 53 LYS HB2 H 1 1.361 0.030 . 2 . . . . 53 LYS HB2 . 11230 1 562 . 1 1 53 53 LYS HB3 H 1 1.236 0.030 . 2 . . . . 53 LYS HB3 . 11230 1 563 . 1 1 53 53 LYS HD2 H 1 1.682 0.030 . 2 . . . . 53 LYS HD2 . 11230 1 564 . 1 1 53 53 LYS HD3 H 1 1.236 0.030 . 2 . . . . 53 LYS HD3 . 11230 1 565 . 1 1 53 53 LYS HE2 H 1 2.400 0.030 . 2 . . . . 53 LYS HE2 . 11230 1 566 . 1 1 53 53 LYS HE3 H 1 2.850 0.030 . 2 . . . . 53 LYS HE3 . 11230 1 567 . 1 1 53 53 LYS HG2 H 1 0.738 0.030 . 2 . . . . 53 LYS HG2 . 11230 1 568 . 1 1 53 53 LYS HG3 H 1 0.284 0.030 . 2 . . . . 53 LYS HG3 . 11230 1 569 . 1 1 53 53 LYS C C 13 173.696 0.300 . 1 . . . . 53 LYS C . 11230 1 570 . 1 1 53 53 LYS CA C 13 56.492 0.300 . 1 . . . . 53 LYS CA . 11230 1 571 . 1 1 53 53 LYS CB C 13 34.482 0.300 . 1 . . . . 53 LYS CB . 11230 1 572 . 1 1 53 53 LYS CD C 13 28.185 0.300 . 1 . . . . 53 LYS CD . 11230 1 573 . 1 1 53 53 LYS CE C 13 42.853 0.300 . 1 . . . . 53 LYS CE . 11230 1 574 . 1 1 53 53 LYS CG C 13 24.130 0.300 . 1 . . . . 53 LYS CG . 11230 1 575 . 1 1 53 53 LYS N N 15 120.345 0.300 . 1 . . . . 53 LYS N . 11230 1 576 . 1 1 54 54 TYR H H 1 7.305 0.030 . 1 . . . . 54 TYR H . 11230 1 577 . 1 1 54 54 TYR HA H 1 5.653 0.030 . 1 . . . . 54 TYR HA . 11230 1 578 . 1 1 54 54 TYR HB2 H 1 2.738 0.030 . 2 . . . . 54 TYR HB2 . 11230 1 579 . 1 1 54 54 TYR HB3 H 1 2.624 0.030 . 2 . . . . 54 TYR HB3 . 11230 1 580 . 1 1 54 54 TYR HD1 H 1 7.222 0.030 . 1 . . . . 54 TYR HD1 . 11230 1 581 . 1 1 54 54 TYR HD2 H 1 7.222 0.030 . 1 . . . . 54 TYR HD2 . 11230 1 582 . 1 1 54 54 TYR HE1 H 1 6.807 0.030 . 1 . . . . 54 TYR HE1 . 11230 1 583 . 1 1 54 54 TYR HE2 H 1 6.807 0.030 . 1 . . . . 54 TYR HE2 . 11230 1 584 . 1 1 54 54 TYR C C 13 175.732 0.300 . 1 . . . . 54 TYR C . 11230 1 585 . 1 1 54 54 TYR CA C 13 54.782 0.300 . 1 . . . . 54 TYR CA . 11230 1 586 . 1 1 54 54 TYR CB C 13 40.441 0.300 . 1 . . . . 54 TYR CB . 11230 1 587 . 1 1 54 54 TYR CD1 C 13 133.854 0.300 . 1 . . . . 54 TYR CD1 . 11230 1 588 . 1 1 54 54 TYR CD2 C 13 133.854 0.300 . 1 . . . . 54 TYR CD2 . 11230 1 589 . 1 1 54 54 TYR CE1 C 13 118.029 0.300 . 1 . . . . 54 TYR CE1 . 11230 1 590 . 1 1 54 54 TYR CE2 C 13 118.029 0.300 . 1 . . . . 54 TYR CE2 . 11230 1 591 . 1 1 54 54 TYR N N 15 113.603 0.300 . 1 . . . . 54 TYR N . 11230 1 592 . 1 1 55 55 SER H H 1 8.920 0.030 . 1 . . . . 55 SER H . 11230 1 593 . 1 1 55 55 SER HA H 1 4.892 0.030 . 1 . . . . 55 SER HA . 11230 1 594 . 1 1 55 55 SER HB2 H 1 3.558 0.030 . 2 . . . . 55 SER HB2 . 11230 1 595 . 1 1 55 55 SER HB3 H 1 3.793 0.030 . 2 . . . . 55 SER HB3 . 11230 1 596 . 1 1 55 55 SER C C 13 172.691 0.300 . 1 . . . . 55 SER C . 11230 1 597 . 1 1 55 55 SER CA C 13 56.921 0.300 . 1 . . . . 55 SER CA . 11230 1 598 . 1 1 55 55 SER CB C 13 64.414 0.300 . 1 . . . . 55 SER CB . 11230 1 599 . 1 1 55 55 SER N N 15 116.273 0.300 . 1 . . . . 55 SER N . 11230 1 600 . 1 1 56 56 LEU H H 1 8.347 0.030 . 1 . . . . 56 LEU H . 11230 1 601 . 1 1 56 56 LEU HA H 1 5.013 0.030 . 1 . . . . 56 LEU HA . 11230 1 602 . 1 1 56 56 LEU HB2 H 1 1.553 0.030 . 2 . . . . 56 LEU HB2 . 11230 1 603 . 1 1 56 56 LEU HB3 H 1 1.658 0.030 . 2 . . . . 56 LEU HB3 . 11230 1 604 . 1 1 56 56 LEU HD11 H 1 0.612 0.030 . 1 . . . . 56 LEU HD1 . 11230 1 605 . 1 1 56 56 LEU HD12 H 1 0.612 0.030 . 1 . . . . 56 LEU HD1 . 11230 1 606 . 1 1 56 56 LEU HD13 H 1 0.612 0.030 . 1 . . . . 56 LEU HD1 . 11230 1 607 . 1 1 56 56 LEU HD21 H 1 0.710 0.030 . 1 . . . . 56 LEU HD2 . 11230 1 608 . 1 1 56 56 LEU HD22 H 1 0.710 0.030 . 1 . . . . 56 LEU HD2 . 11230 1 609 . 1 1 56 56 LEU HD23 H 1 0.710 0.030 . 1 . . . . 56 LEU HD2 . 11230 1 610 . 1 1 56 56 LEU HG H 1 1.332 0.030 . 1 . . . . 56 LEU HG . 11230 1 611 . 1 1 56 56 LEU C C 13 176.114 0.300 . 1 . . . . 56 LEU C . 11230 1 612 . 1 1 56 56 LEU CA C 13 54.767 0.300 . 1 . . . . 56 LEU CA . 11230 1 613 . 1 1 56 56 LEU CB C 13 43.882 0.300 . 1 . . . . 56 LEU CB . 11230 1 614 . 1 1 56 56 LEU CD1 C 13 25.158 0.300 . 2 . . . . 56 LEU CD1 . 11230 1 615 . 1 1 56 56 LEU CD2 C 13 27.080 0.300 . 2 . . . . 56 LEU CD2 . 11230 1 616 . 1 1 56 56 LEU CG C 13 28.835 0.300 . 1 . . . . 56 LEU CG . 11230 1 617 . 1 1 56 56 LEU N N 15 127.445 0.300 . 1 . . . . 56 LEU N . 11230 1 618 . 1 1 57 57 ARG H H 1 9.142 0.030 . 1 . . . . 57 ARG H . 11230 1 619 . 1 1 57 57 ARG HA H 1 4.780 0.030 . 1 . . . . 57 ARG HA . 11230 1 620 . 1 1 57 57 ARG HB2 H 1 1.757 0.030 . 2 . . . . 57 ARG HB2 . 11230 1 621 . 1 1 57 57 ARG HB3 H 1 1.818 0.030 . 2 . . . . 57 ARG HB3 . 11230 1 622 . 1 1 57 57 ARG HD2 H 1 3.076 0.030 . 2 . . . . 57 ARG HD2 . 11230 1 623 . 1 1 57 57 ARG HD3 H 1 3.190 0.030 . 2 . . . . 57 ARG HD3 . 11230 1 624 . 1 1 57 57 ARG HG2 H 1 1.478 0.030 . 1 . . . . 57 ARG HG2 . 11230 1 625 . 1 1 57 57 ARG HG3 H 1 1.478 0.030 . 1 . . . . 57 ARG HG3 . 11230 1 626 . 1 1 57 57 ARG C C 13 174.630 0.300 . 1 . . . . 57 ARG C . 11230 1 627 . 1 1 57 57 ARG CA C 13 55.336 0.300 . 1 . . . . 57 ARG CA . 11230 1 628 . 1 1 57 57 ARG CB C 13 34.482 0.300 . 1 . . . . 57 ARG CB . 11230 1 629 . 1 1 57 57 ARG CD C 13 43.528 0.300 . 1 . . . . 57 ARG CD . 11230 1 630 . 1 1 57 57 ARG CG C 13 27.829 0.300 . 1 . . . . 57 ARG CG . 11230 1 631 . 1 1 57 57 ARG N N 15 122.447 0.300 . 1 . . . . 57 ARG N . 11230 1 632 . 1 1 58 58 GLN H H 1 8.767 0.030 . 1 . . . . 58 GLN H . 11230 1 633 . 1 1 58 58 GLN HA H 1 5.283 0.030 . 1 . . . . 58 GLN HA . 11230 1 634 . 1 1 58 58 GLN HB2 H 1 1.993 0.030 . 2 . . . . 58 GLN HB2 . 11230 1 635 . 1 1 58 58 GLN HB3 H 1 1.918 0.030 . 2 . . . . 58 GLN HB3 . 11230 1 636 . 1 1 58 58 GLN HE21 H 1 7.451 0.030 . 2 . . . . 58 GLN HE21 . 11230 1 637 . 1 1 58 58 GLN HE22 H 1 7.178 0.030 . 2 . . . . 58 GLN HE22 . 11230 1 638 . 1 1 58 58 GLN HG2 H 1 2.404 0.030 . 2 . . . . 58 GLN HG2 . 11230 1 639 . 1 1 58 58 GLN HG3 H 1 2.311 0.030 . 2 . . . . 58 GLN HG3 . 11230 1 640 . 1 1 58 58 GLN C C 13 174.428 0.300 . 1 . . . . 58 GLN C . 11230 1 641 . 1 1 58 58 GLN CA C 13 54.925 0.300 . 1 . . . . 58 GLN CA . 11230 1 642 . 1 1 58 58 GLN CB C 13 29.914 0.300 . 1 . . . . 58 GLN CB . 11230 1 643 . 1 1 58 58 GLN CG C 13 32.937 0.300 . 1 . . . . 58 GLN CG . 11230 1 644 . 1 1 58 58 GLN N N 15 125.700 0.300 . 1 . . . . 58 GLN N . 11230 1 645 . 1 1 58 58 GLN NE2 N 15 108.223 0.300 . 1 . . . . 58 GLN NE2 . 11230 1 646 . 1 1 59 59 GLU H H 1 9.048 0.030 . 1 . . . . 59 GLU H . 11230 1 647 . 1 1 59 59 GLU HA H 1 4.630 0.030 . 1 . . . . 59 GLU HA . 11230 1 648 . 1 1 59 59 GLU HB2 H 1 1.817 0.030 . 2 . . . . 59 GLU HB2 . 11230 1 649 . 1 1 59 59 GLU HB3 H 1 2.019 0.030 . 2 . . . . 59 GLU HB3 . 11230 1 650 . 1 1 59 59 GLU HG2 H 1 2.150 0.030 . 1 . . . . 59 GLU HG2 . 11230 1 651 . 1 1 59 59 GLU HG3 H 1 2.150 0.030 . 1 . . . . 59 GLU HG3 . 11230 1 652 . 1 1 59 59 GLU C C 13 176.065 0.300 . 1 . . . . 59 GLU C . 11230 1 653 . 1 1 59 59 GLU CA C 13 54.564 0.300 . 1 . . . . 59 GLU CA . 11230 1 654 . 1 1 59 59 GLU CB C 13 30.864 0.300 . 1 . . . . 59 GLU CB . 11230 1 655 . 1 1 59 59 GLU CG C 13 35.755 0.300 . 1 . . . . 59 GLU CG . 11230 1 656 . 1 1 59 59 GLU N N 15 129.348 0.300 . 1 . . . . 59 GLU N . 11230 1 657 . 1 1 60 60 GLY HA2 H 1 4.017 0.030 . 2 . . . . 60 GLY HA2 . 11230 1 658 . 1 1 60 60 GLY HA3 H 1 3.516 0.030 . 2 . . . . 60 GLY HA3 . 11230 1 659 . 1 1 60 60 GLY C C 13 173.260 0.300 . 1 . . . . 60 GLY C . 11230 1 660 . 1 1 60 60 GLY CA C 13 47.525 0.300 . 1 . . . . 60 GLY CA . 11230 1 661 . 1 1 61 61 ALA H H 1 9.118 0.030 . 1 . . . . 61 ALA H . 11230 1 662 . 1 1 61 61 ALA HA H 1 4.145 0.030 . 1 . . . . 61 ALA HA . 11230 1 663 . 1 1 61 61 ALA HB1 H 1 1.286 0.030 . 1 . . . . 61 ALA HB . 11230 1 664 . 1 1 61 61 ALA HB2 H 1 1.286 0.030 . 1 . . . . 61 ALA HB . 11230 1 665 . 1 1 61 61 ALA HB3 H 1 1.286 0.030 . 1 . . . . 61 ALA HB . 11230 1 666 . 1 1 61 61 ALA C C 13 175.164 0.300 . 1 . . . . 61 ALA C . 11230 1 667 . 1 1 61 61 ALA CA C 13 52.290 0.300 . 1 . . . . 61 ALA CA . 11230 1 668 . 1 1 61 61 ALA CB C 13 19.236 0.300 . 1 . . . . 61 ALA CB . 11230 1 669 . 1 1 61 61 ALA N N 15 131.266 0.300 . 1 . . . . 61 ALA N . 11230 1 670 . 1 1 62 62 MET H H 1 8.087 0.030 . 1 . . . . 62 MET H . 11230 1 671 . 1 1 62 62 MET HA H 1 4.627 0.030 . 1 . . . . 62 MET HA . 11230 1 672 . 1 1 62 62 MET HB2 H 1 2.396 0.030 . 2 . . . . 62 MET HB2 . 11230 1 673 . 1 1 62 62 MET HB3 H 1 2.223 0.030 . 2 . . . . 62 MET HB3 . 11230 1 674 . 1 1 62 62 MET HE1 H 1 1.983 0.030 . 1 . . . . 62 MET HE . 11230 1 675 . 1 1 62 62 MET HE2 H 1 1.983 0.030 . 1 . . . . 62 MET HE . 11230 1 676 . 1 1 62 62 MET HE3 H 1 1.983 0.030 . 1 . . . . 62 MET HE . 11230 1 677 . 1 1 62 62 MET HG2 H 1 2.673 0.030 . 2 . . . . 62 MET HG2 . 11230 1 678 . 1 1 62 62 MET HG3 H 1 2.457 0.030 . 2 . . . . 62 MET HG3 . 11230 1 679 . 1 1 62 62 MET C C 13 173.983 0.300 . 1 . . . . 62 MET C . 11230 1 680 . 1 1 62 62 MET CA C 13 56.483 0.300 . 1 . . . . 62 MET CA . 11230 1 681 . 1 1 62 62 MET CB C 13 33.197 0.300 . 1 . . . . 62 MET CB . 11230 1 682 . 1 1 62 62 MET CE C 13 16.836 0.300 . 1 . . . . 62 MET CE . 11230 1 683 . 1 1 62 62 MET CG C 13 32.060 0.300 . 1 . . . . 62 MET CG . 11230 1 684 . 1 1 62 62 MET N N 15 118.659 0.300 . 1 . . . . 62 MET N . 11230 1 685 . 1 1 63 63 LEU H H 1 9.094 0.030 . 1 . . . . 63 LEU H . 11230 1 686 . 1 1 63 63 LEU HA H 1 5.202 0.030 . 1 . . . . 63 LEU HA . 11230 1 687 . 1 1 63 63 LEU HB2 H 1 2.464 0.030 . 2 . . . . 63 LEU HB2 . 11230 1 688 . 1 1 63 63 LEU HB3 H 1 1.948 0.030 . 2 . . . . 63 LEU HB3 . 11230 1 689 . 1 1 63 63 LEU HD11 H 1 1.031 0.030 . 1 . . . . 63 LEU HD1 . 11230 1 690 . 1 1 63 63 LEU HD12 H 1 1.031 0.030 . 1 . . . . 63 LEU HD1 . 11230 1 691 . 1 1 63 63 LEU HD13 H 1 1.031 0.030 . 1 . . . . 63 LEU HD1 . 11230 1 692 . 1 1 63 63 LEU HD21 H 1 1.008 0.030 . 1 . . . . 63 LEU HD2 . 11230 1 693 . 1 1 63 63 LEU HD22 H 1 1.008 0.030 . 1 . . . . 63 LEU HD2 . 11230 1 694 . 1 1 63 63 LEU HD23 H 1 1.008 0.030 . 1 . . . . 63 LEU HD2 . 11230 1 695 . 1 1 63 63 LEU HG H 1 1.899 0.030 . 1 . . . . 63 LEU HG . 11230 1 696 . 1 1 63 63 LEU C C 13 175.932 0.300 . 1 . . . . 63 LEU C . 11230 1 697 . 1 1 63 63 LEU CA C 13 53.620 0.300 . 1 . . . . 63 LEU CA . 11230 1 698 . 1 1 63 63 LEU CB C 13 43.299 0.300 . 1 . . . . 63 LEU CB . 11230 1 699 . 1 1 63 63 LEU CD1 C 13 25.897 0.300 . 2 . . . . 63 LEU CD1 . 11230 1 700 . 1 1 63 63 LEU CD2 C 13 23.954 0.300 . 2 . . . . 63 LEU CD2 . 11230 1 701 . 1 1 63 63 LEU CG C 13 27.500 0.300 . 1 . . . . 63 LEU CG . 11230 1 702 . 1 1 63 63 LEU N N 15 128.293 0.300 . 1 . . . . 63 LEU N . 11230 1 703 . 1 1 64 64 GLU H H 1 8.710 0.030 . 1 . . . . 64 GLU H . 11230 1 704 . 1 1 64 64 GLU HA H 1 5.501 0.030 . 1 . . . . 64 GLU HA . 11230 1 705 . 1 1 64 64 GLU HB2 H 1 1.823 0.030 . 2 . . . . 64 GLU HB2 . 11230 1 706 . 1 1 64 64 GLU HB3 H 1 1.882 0.030 . 2 . . . . 64 GLU HB3 . 11230 1 707 . 1 1 64 64 GLU HG2 H 1 2.050 0.030 . 2 . . . . 64 GLU HG2 . 11230 1 708 . 1 1 64 64 GLU HG3 H 1 1.869 0.030 . 2 . . . . 64 GLU HG3 . 11230 1 709 . 1 1 64 64 GLU C C 13 173.066 0.300 . 1 . . . . 64 GLU C . 11230 1 710 . 1 1 64 64 GLU CA C 13 54.727 0.300 . 1 . . . . 64 GLU CA . 11230 1 711 . 1 1 64 64 GLU CB C 13 35.743 0.300 . 1 . . . . 64 GLU CB . 11230 1 712 . 1 1 64 64 GLU CG C 13 38.372 0.300 . 1 . . . . 64 GLU CG . 11230 1 713 . 1 1 64 64 GLU N N 15 120.455 0.300 . 1 . . . . 64 GLU N . 11230 1 714 . 1 1 65 65 LEU H H 1 8.578 0.030 . 1 . . . . 65 LEU H . 11230 1 715 . 1 1 65 65 LEU HA H 1 4.650 0.030 . 1 . . . . 65 LEU HA . 11230 1 716 . 1 1 65 65 LEU HB2 H 1 0.554 0.030 . 2 . . . . 65 LEU HB2 . 11230 1 717 . 1 1 65 65 LEU HB3 H 1 -1.117 0.030 . 2 . . . . 65 LEU HB3 . 11230 1 718 . 1 1 65 65 LEU HD11 H 1 0.361 0.030 . 1 . . . . 65 LEU HD1 . 11230 1 719 . 1 1 65 65 LEU HD12 H 1 0.361 0.030 . 1 . . . . 65 LEU HD1 . 11230 1 720 . 1 1 65 65 LEU HD13 H 1 0.361 0.030 . 1 . . . . 65 LEU HD1 . 11230 1 721 . 1 1 65 65 LEU HD21 H 1 0.446 0.030 . 1 . . . . 65 LEU HD2 . 11230 1 722 . 1 1 65 65 LEU HD22 H 1 0.446 0.030 . 1 . . . . 65 LEU HD2 . 11230 1 723 . 1 1 65 65 LEU HD23 H 1 0.446 0.030 . 1 . . . . 65 LEU HD2 . 11230 1 724 . 1 1 65 65 LEU HG H 1 0.908 0.030 . 1 . . . . 65 LEU HG . 11230 1 725 . 1 1 65 65 LEU C C 13 174.566 0.300 . 1 . . . . 65 LEU C . 11230 1 726 . 1 1 65 65 LEU CA C 13 52.580 0.300 . 1 . . . . 65 LEU CA . 11230 1 727 . 1 1 65 65 LEU CB C 13 42.387 0.300 . 1 . . . . 65 LEU CB . 11230 1 728 . 1 1 65 65 LEU CD1 C 13 23.606 0.300 . 2 . . . . 65 LEU CD1 . 11230 1 729 . 1 1 65 65 LEU CD2 C 13 27.572 0.300 . 2 . . . . 65 LEU CD2 . 11230 1 730 . 1 1 65 65 LEU CG C 13 27.345 0.300 . 1 . . . . 65 LEU CG . 11230 1 731 . 1 1 65 65 LEU N N 15 128.611 0.300 . 1 . . . . 65 LEU N . 11230 1 732 . 1 1 66 66 VAL H H 1 8.999 0.030 . 1 . . . . 66 VAL H . 11230 1 733 . 1 1 66 66 VAL HA H 1 5.073 0.030 . 1 . . . . 66 VAL HA . 11230 1 734 . 1 1 66 66 VAL HB H 1 1.777 0.030 . 1 . . . . 66 VAL HB . 11230 1 735 . 1 1 66 66 VAL HG11 H 1 0.829 0.030 . 1 . . . . 66 VAL HG1 . 11230 1 736 . 1 1 66 66 VAL HG12 H 1 0.829 0.030 . 1 . . . . 66 VAL HG1 . 11230 1 737 . 1 1 66 66 VAL HG13 H 1 0.829 0.030 . 1 . . . . 66 VAL HG1 . 11230 1 738 . 1 1 66 66 VAL HG21 H 1 0.653 0.030 . 1 . . . . 66 VAL HG2 . 11230 1 739 . 1 1 66 66 VAL HG22 H 1 0.653 0.030 . 1 . . . . 66 VAL HG2 . 11230 1 740 . 1 1 66 66 VAL HG23 H 1 0.653 0.030 . 1 . . . . 66 VAL HG2 . 11230 1 741 . 1 1 66 66 VAL C C 13 175.620 0.300 . 1 . . . . 66 VAL C . 11230 1 742 . 1 1 66 66 VAL CA C 13 60.188 0.300 . 1 . . . . 66 VAL CA . 11230 1 743 . 1 1 66 66 VAL CB C 13 33.896 0.300 . 1 . . . . 66 VAL CB . 11230 1 744 . 1 1 66 66 VAL CG1 C 13 20.905 0.300 . 2 . . . . 66 VAL CG1 . 11230 1 745 . 1 1 66 66 VAL CG2 C 13 20.850 0.300 . 2 . . . . 66 VAL CG2 . 11230 1 746 . 1 1 66 66 VAL N N 15 126.288 0.300 . 1 . . . . 66 VAL N . 11230 1 747 . 1 1 67 67 VAL H H 1 8.883 0.030 . 1 . . . . 67 VAL H . 11230 1 748 . 1 1 67 67 VAL HA H 1 4.429 0.030 . 1 . . . . 67 VAL HA . 11230 1 749 . 1 1 67 67 VAL HB H 1 1.819 0.030 . 1 . . . . 67 VAL HB . 11230 1 750 . 1 1 67 67 VAL HG11 H 1 0.827 0.030 . 1 . . . . 67 VAL HG1 . 11230 1 751 . 1 1 67 67 VAL HG12 H 1 0.827 0.030 . 1 . . . . 67 VAL HG1 . 11230 1 752 . 1 1 67 67 VAL HG13 H 1 0.827 0.030 . 1 . . . . 67 VAL HG1 . 11230 1 753 . 1 1 67 67 VAL HG21 H 1 0.659 0.030 . 1 . . . . 67 VAL HG2 . 11230 1 754 . 1 1 67 67 VAL HG22 H 1 0.659 0.030 . 1 . . . . 67 VAL HG2 . 11230 1 755 . 1 1 67 67 VAL HG23 H 1 0.659 0.030 . 1 . . . . 67 VAL HG2 . 11230 1 756 . 1 1 67 67 VAL C C 13 175.359 0.300 . 1 . . . . 67 VAL C . 11230 1 757 . 1 1 67 67 VAL CA C 13 61.101 0.300 . 1 . . . . 67 VAL CA . 11230 1 758 . 1 1 67 67 VAL CB C 13 32.688 0.300 . 1 . . . . 67 VAL CB . 11230 1 759 . 1 1 67 67 VAL CG1 C 13 22.373 0.300 . 2 . . . . 67 VAL CG1 . 11230 1 760 . 1 1 67 67 VAL CG2 C 13 19.837 0.300 . 2 . . . . 67 VAL CG2 . 11230 1 761 . 1 1 67 67 VAL N N 15 126.877 0.300 . 1 . . . . 67 VAL N . 11230 1 762 . 1 1 68 68 ARG H H 1 8.442 0.030 . 1 . . . . 68 ARG H . 11230 1 763 . 1 1 68 68 ARG HA H 1 4.284 0.030 . 1 . . . . 68 ARG HA . 11230 1 764 . 1 1 68 68 ARG HB2 H 1 1.679 0.030 . 1 . . . . 68 ARG HB2 . 11230 1 765 . 1 1 68 68 ARG HB3 H 1 1.679 0.030 . 1 . . . . 68 ARG HB3 . 11230 1 766 . 1 1 68 68 ARG HD2 H 1 3.029 0.030 . 1 . . . . 68 ARG HD2 . 11230 1 767 . 1 1 68 68 ARG HD3 H 1 3.029 0.030 . 1 . . . . 68 ARG HD3 . 11230 1 768 . 1 1 68 68 ARG HG2 H 1 1.427 0.030 . 1 . . . . 68 ARG HG2 . 11230 1 769 . 1 1 68 68 ARG HG3 H 1 1.427 0.030 . 1 . . . . 68 ARG HG3 . 11230 1 770 . 1 1 68 68 ARG C C 13 174.977 0.300 . 1 . . . . 68 ARG C . 11230 1 771 . 1 1 68 68 ARG CA C 13 55.859 0.300 . 1 . . . . 68 ARG CA . 11230 1 772 . 1 1 68 68 ARG CB C 13 32.443 0.300 . 1 . . . . 68 ARG CB . 11230 1 773 . 1 1 68 68 ARG CD C 13 43.186 0.300 . 1 . . . . 68 ARG CD . 11230 1 774 . 1 1 68 68 ARG CG C 13 28.799 0.300 . 1 . . . . 68 ARG CG . 11230 1 775 . 1 1 68 68 ARG N N 15 123.517 0.300 . 1 . . . . 68 ARG N . 11230 1 776 . 1 1 69 69 ASN H H 1 8.636 0.030 . 1 . . . . 69 ASN H . 11230 1 777 . 1 1 69 69 ASN HA H 1 4.040 0.030 . 1 . . . . 69 ASN HA . 11230 1 778 . 1 1 69 69 ASN HB2 H 1 2.503 0.030 . 2 . . . . 69 ASN HB2 . 11230 1 779 . 1 1 69 69 ASN HB3 H 1 2.740 0.030 . 2 . . . . 69 ASN HB3 . 11230 1 780 . 1 1 69 69 ASN HD21 H 1 7.724 0.030 . 2 . . . . 69 ASN HD21 . 11230 1 781 . 1 1 69 69 ASN HD22 H 1 6.838 0.030 . 2 . . . . 69 ASN HD22 . 11230 1 782 . 1 1 69 69 ASN C C 13 174.836 0.300 . 1 . . . . 69 ASN C . 11230 1 783 . 1 1 69 69 ASN CA C 13 53.428 0.300 . 1 . . . . 69 ASN CA . 11230 1 784 . 1 1 69 69 ASN CB C 13 37.267 0.300 . 1 . . . . 69 ASN CB . 11230 1 785 . 1 1 69 69 ASN N N 15 117.344 0.300 . 1 . . . . 69 ASN N . 11230 1 786 . 1 1 69 69 ASN ND2 N 15 113.715 0.300 . 1 . . . . 69 ASN ND2 . 11230 1 787 . 1 1 70 70 LEU H H 1 8.276 0.030 . 1 . . . . 70 LEU H . 11230 1 788 . 1 1 70 70 LEU HA H 1 4.021 0.030 . 1 . . . . 70 LEU HA . 11230 1 789 . 1 1 70 70 LEU HB2 H 1 1.148 0.030 . 2 . . . . 70 LEU HB2 . 11230 1 790 . 1 1 70 70 LEU HB3 H 1 1.499 0.030 . 2 . . . . 70 LEU HB3 . 11230 1 791 . 1 1 70 70 LEU HD11 H 1 0.641 0.030 . 1 . . . . 70 LEU HD1 . 11230 1 792 . 1 1 70 70 LEU HD12 H 1 0.641 0.030 . 1 . . . . 70 LEU HD1 . 11230 1 793 . 1 1 70 70 LEU HD13 H 1 0.641 0.030 . 1 . . . . 70 LEU HD1 . 11230 1 794 . 1 1 70 70 LEU HD21 H 1 0.597 0.030 . 1 . . . . 70 LEU HD2 . 11230 1 795 . 1 1 70 70 LEU HD22 H 1 0.597 0.030 . 1 . . . . 70 LEU HD2 . 11230 1 796 . 1 1 70 70 LEU HD23 H 1 0.597 0.030 . 1 . . . . 70 LEU HD2 . 11230 1 797 . 1 1 70 70 LEU HG H 1 1.612 0.030 . 1 . . . . 70 LEU HG . 11230 1 798 . 1 1 70 70 LEU C C 13 178.414 0.300 . 1 . . . . 70 LEU C . 11230 1 799 . 1 1 70 70 LEU CA C 13 55.956 0.300 . 1 . . . . 70 LEU CA . 11230 1 800 . 1 1 70 70 LEU CB C 13 43.500 0.300 . 1 . . . . 70 LEU CB . 11230 1 801 . 1 1 70 70 LEU CD1 C 13 23.675 0.300 . 2 . . . . 70 LEU CD1 . 11230 1 802 . 1 1 70 70 LEU CD2 C 13 27.062 0.300 . 2 . . . . 70 LEU CD2 . 11230 1 803 . 1 1 70 70 LEU CG C 13 26.708 0.300 . 1 . . . . 70 LEU CG . 11230 1 804 . 1 1 70 70 LEU N N 15 115.821 0.300 . 1 . . . . 70 LEU N . 11230 1 805 . 1 1 71 71 ARG H H 1 9.441 0.030 . 1 . . . . 71 ARG H . 11230 1 806 . 1 1 71 71 ARG HA H 1 4.872 0.030 . 1 . . . . 71 ARG HA . 11230 1 807 . 1 1 71 71 ARG HB2 H 1 2.123 0.030 . 2 . . . . 71 ARG HB2 . 11230 1 808 . 1 1 71 71 ARG HB3 H 1 1.560 0.030 . 2 . . . . 71 ARG HB3 . 11230 1 809 . 1 1 71 71 ARG HD2 H 1 3.200 0.030 . 2 . . . . 71 ARG HD2 . 11230 1 810 . 1 1 71 71 ARG HD3 H 1 3.311 0.030 . 2 . . . . 71 ARG HD3 . 11230 1 811 . 1 1 71 71 ARG HG2 H 1 1.766 0.030 . 2 . . . . 71 ARG HG2 . 11230 1 812 . 1 1 71 71 ARG HG3 H 1 1.812 0.030 . 2 . . . . 71 ARG HG3 . 11230 1 813 . 1 1 71 71 ARG C C 13 174.923 0.300 . 1 . . . . 71 ARG C . 11230 1 814 . 1 1 71 71 ARG CA C 13 52.723 0.300 . 1 . . . . 71 ARG CA . 11230 1 815 . 1 1 71 71 ARG CB C 13 31.410 0.300 . 1 . . . . 71 ARG CB . 11230 1 816 . 1 1 71 71 ARG CD C 13 43.358 0.300 . 1 . . . . 71 ARG CD . 11230 1 817 . 1 1 71 71 ARG CG C 13 25.918 0.300 . 1 . . . . 71 ARG CG . 11230 1 818 . 1 1 71 71 ARG N N 15 123.249 0.300 . 1 . . . . 71 ARG N . 11230 1 819 . 1 1 72 72 PRO HA H 1 4.254 0.030 . 1 . . . . 72 PRO HA . 11230 1 820 . 1 1 72 72 PRO HB2 H 1 1.922 0.030 . 2 . . . . 72 PRO HB2 . 11230 1 821 . 1 1 72 72 PRO HB3 H 1 2.478 0.030 . 2 . . . . 72 PRO HB3 . 11230 1 822 . 1 1 72 72 PRO HD2 H 1 3.791 0.030 . 2 . . . . 72 PRO HD2 . 11230 1 823 . 1 1 72 72 PRO HD3 H 1 3.683 0.030 . 2 . . . . 72 PRO HD3 . 11230 1 824 . 1 1 72 72 PRO HG2 H 1 1.661 0.030 . 2 . . . . 72 PRO HG2 . 11230 1 825 . 1 1 72 72 PRO HG3 H 1 2.301 0.030 . 2 . . . . 72 PRO HG3 . 11230 1 826 . 1 1 72 72 PRO C C 13 178.627 0.300 . 1 . . . . 72 PRO C . 11230 1 827 . 1 1 72 72 PRO CA C 13 66.521 0.300 . 1 . . . . 72 PRO CA . 11230 1 828 . 1 1 72 72 PRO CB C 13 31.668 0.300 . 1 . . . . 72 PRO CB . 11230 1 829 . 1 1 72 72 PRO CD C 13 50.321 0.300 . 1 . . . . 72 PRO CD . 11230 1 830 . 1 1 72 72 PRO CG C 13 28.578 0.300 . 1 . . . . 72 PRO CG . 11230 1 831 . 1 1 73 73 GLN H H 1 8.799 0.030 . 1 . . . . 73 GLN H . 11230 1 832 . 1 1 73 73 GLN HA H 1 4.323 0.030 . 1 . . . . 73 GLN HA . 11230 1 833 . 1 1 73 73 GLN HB2 H 1 2.085 0.030 . 2 . . . . 73 GLN HB2 . 11230 1 834 . 1 1 73 73 GLN HB3 H 1 2.177 0.030 . 2 . . . . 73 GLN HB3 . 11230 1 835 . 1 1 73 73 GLN HE21 H 1 7.721 0.030 . 2 . . . . 73 GLN HE21 . 11230 1 836 . 1 1 73 73 GLN HE22 H 1 6.955 0.030 . 2 . . . . 73 GLN HE22 . 11230 1 837 . 1 1 73 73 GLN HG2 H 1 2.450 0.030 . 1 . . . . 73 GLN HG2 . 11230 1 838 . 1 1 73 73 GLN HG3 H 1 2.450 0.030 . 1 . . . . 73 GLN HG3 . 11230 1 839 . 1 1 73 73 GLN C C 13 175.752 0.300 . 1 . . . . 73 GLN C . 11230 1 840 . 1 1 73 73 GLN CA C 13 58.350 0.300 . 1 . . . . 73 GLN CA . 11230 1 841 . 1 1 73 73 GLN CB C 13 27.725 0.300 . 1 . . . . 73 GLN CB . 11230 1 842 . 1 1 73 73 GLN CG C 13 34.060 0.300 . 1 . . . . 73 GLN CG . 11230 1 843 . 1 1 73 73 GLN N N 15 114.399 0.300 . 1 . . . . 73 GLN N . 11230 1 844 . 1 1 73 73 GLN NE2 N 15 112.424 0.300 . 1 . . . . 73 GLN NE2 . 11230 1 845 . 1 1 74 74 ASP H H 1 8.495 0.030 . 1 . . . . 74 ASP H . 11230 1 846 . 1 1 74 74 ASP HA H 1 4.634 0.030 . 1 . . . . 74 ASP HA . 11230 1 847 . 1 1 74 74 ASP HB2 H 1 2.900 0.030 . 2 . . . . 74 ASP HB2 . 11230 1 848 . 1 1 74 74 ASP HB3 H 1 2.571 0.030 . 2 . . . . 74 ASP HB3 . 11230 1 849 . 1 1 74 74 ASP C C 13 176.381 0.300 . 1 . . . . 74 ASP C . 11230 1 850 . 1 1 74 74 ASP CA C 13 55.807 0.300 . 1 . . . . 74 ASP CA . 11230 1 851 . 1 1 74 74 ASP CB C 13 41.437 0.300 . 1 . . . . 74 ASP CB . 11230 1 852 . 1 1 74 74 ASP N N 15 118.194 0.300 . 1 . . . . 74 ASP N . 11230 1 853 . 1 1 75 75 SER H H 1 7.905 0.030 . 1 . . . . 75 SER H . 11230 1 854 . 1 1 75 75 SER HA H 1 4.722 0.030 . 1 . . . . 75 SER HA . 11230 1 855 . 1 1 75 75 SER HB2 H 1 4.100 0.030 . 2 . . . . 75 SER HB2 . 11230 1 856 . 1 1 75 75 SER HB3 H 1 4.414 0.030 . 2 . . . . 75 SER HB3 . 11230 1 857 . 1 1 75 75 SER C C 13 174.153 0.300 . 1 . . . . 75 SER C . 11230 1 858 . 1 1 75 75 SER CA C 13 60.173 0.300 . 1 . . . . 75 SER CA . 11230 1 859 . 1 1 75 75 SER CB C 13 64.526 0.300 . 1 . . . . 75 SER CB . 11230 1 860 . 1 1 75 75 SER N N 15 115.906 0.300 . 1 . . . . 75 SER N . 11230 1 861 . 1 1 76 76 GLY H H 1 9.612 0.030 . 1 . . . . 76 GLY H . 11230 1 862 . 1 1 76 76 GLY HA2 H 1 4.837 0.030 . 2 . . . . 76 GLY HA2 . 11230 1 863 . 1 1 76 76 GLY HA3 H 1 4.021 0.030 . 2 . . . . 76 GLY HA3 . 11230 1 864 . 1 1 76 76 GLY C C 13 171.199 0.300 . 1 . . . . 76 GLY C . 11230 1 865 . 1 1 76 76 GLY CA C 13 44.867 0.300 . 1 . . . . 76 GLY CA . 11230 1 866 . 1 1 76 76 GLY N N 15 113.396 0.300 . 1 . . . . 76 GLY N . 11230 1 867 . 1 1 77 77 ARG H H 1 8.497 0.030 . 1 . . . . 77 ARG H . 11230 1 868 . 1 1 77 77 ARG HA H 1 5.054 0.030 . 1 . . . . 77 ARG HA . 11230 1 869 . 1 1 77 77 ARG HB2 H 1 1.693 0.030 . 2 . . . . 77 ARG HB2 . 11230 1 870 . 1 1 77 77 ARG HB3 H 1 1.622 0.030 . 2 . . . . 77 ARG HB3 . 11230 1 871 . 1 1 77 77 ARG HD2 H 1 3.053 0.030 . 1 . . . . 77 ARG HD2 . 11230 1 872 . 1 1 77 77 ARG HD3 H 1 3.053 0.030 . 1 . . . . 77 ARG HD3 . 11230 1 873 . 1 1 77 77 ARG HG2 H 1 1.505 0.030 . 2 . . . . 77 ARG HG2 . 11230 1 874 . 1 1 77 77 ARG HG3 H 1 1.417 0.030 . 2 . . . . 77 ARG HG3 . 11230 1 875 . 1 1 77 77 ARG C C 13 175.647 0.300 . 1 . . . . 77 ARG C . 11230 1 876 . 1 1 77 77 ARG CA C 13 55.659 0.300 . 1 . . . . 77 ARG CA . 11230 1 877 . 1 1 77 77 ARG CB C 13 31.235 0.300 . 1 . . . . 77 ARG CB . 11230 1 878 . 1 1 77 77 ARG CD C 13 43.199 0.300 . 1 . . . . 77 ARG CD . 11230 1 879 . 1 1 77 77 ARG CG C 13 27.125 0.300 . 1 . . . . 77 ARG CG . 11230 1 880 . 1 1 77 77 ARG N N 15 122.050 0.300 . 1 . . . . 77 ARG N . 11230 1 881 . 1 1 78 78 TYR H H 1 9.456 0.030 . 1 . . . . 78 TYR H . 11230 1 882 . 1 1 78 78 TYR HA H 1 5.496 0.030 . 1 . . . . 78 TYR HA . 11230 1 883 . 1 1 78 78 TYR HB2 H 1 2.810 0.030 . 1 . . . . 78 TYR HB2 . 11230 1 884 . 1 1 78 78 TYR HB3 H 1 2.810 0.030 . 1 . . . . 78 TYR HB3 . 11230 1 885 . 1 1 78 78 TYR HD1 H 1 7.138 0.030 . 1 . . . . 78 TYR HD1 . 11230 1 886 . 1 1 78 78 TYR HD2 H 1 7.138 0.030 . 1 . . . . 78 TYR HD2 . 11230 1 887 . 1 1 78 78 TYR HE1 H 1 6.612 0.030 . 1 . . . . 78 TYR HE1 . 11230 1 888 . 1 1 78 78 TYR HE2 H 1 6.612 0.030 . 1 . . . . 78 TYR HE2 . 11230 1 889 . 1 1 78 78 TYR C C 13 174.837 0.300 . 1 . . . . 78 TYR C . 11230 1 890 . 1 1 78 78 TYR CA C 13 56.982 0.300 . 1 . . . . 78 TYR CA . 11230 1 891 . 1 1 78 78 TYR CB C 13 42.101 0.300 . 1 . . . . 78 TYR CB . 11230 1 892 . 1 1 78 78 TYR CD1 C 13 132.812 0.300 . 1 . . . . 78 TYR CD1 . 11230 1 893 . 1 1 78 78 TYR CD2 C 13 132.812 0.300 . 1 . . . . 78 TYR CD2 . 11230 1 894 . 1 1 78 78 TYR CE1 C 13 117.863 0.300 . 1 . . . . 78 TYR CE1 . 11230 1 895 . 1 1 78 78 TYR CE2 C 13 117.863 0.300 . 1 . . . . 78 TYR CE2 . 11230 1 896 . 1 1 78 78 TYR N N 15 128.367 0.300 . 1 . . . . 78 TYR N . 11230 1 897 . 1 1 79 79 SER H H 1 9.274 0.030 . 1 . . . . 79 SER H . 11230 1 898 . 1 1 79 79 SER HA H 1 5.422 0.030 . 1 . . . . 79 SER HA . 11230 1 899 . 1 1 79 79 SER HB2 H 1 3.555 0.030 . 2 . . . . 79 SER HB2 . 11230 1 900 . 1 1 79 79 SER HB3 H 1 3.591 0.030 . 2 . . . . 79 SER HB3 . 11230 1 901 . 1 1 79 79 SER C C 13 171.622 0.300 . 1 . . . . 79 SER C . 11230 1 902 . 1 1 79 79 SER CA C 13 56.047 0.300 . 1 . . . . 79 SER CA . 11230 1 903 . 1 1 79 79 SER CB C 13 67.442 0.300 . 1 . . . . 79 SER CB . 11230 1 904 . 1 1 79 79 SER N N 15 112.857 0.300 . 1 . . . . 79 SER N . 11230 1 905 . 1 1 80 80 CYS H H 1 8.642 0.030 . 1 . . . . 80 CYS H . 11230 1 906 . 1 1 80 80 CYS HA H 1 4.619 0.030 . 1 . . . . 80 CYS HA . 11230 1 907 . 1 1 80 80 CYS HB2 H 1 0.808 0.030 . 2 . . . . 80 CYS HB2 . 11230 1 908 . 1 1 80 80 CYS HB3 H 1 1.480 0.030 . 2 . . . . 80 CYS HB3 . 11230 1 909 . 1 1 80 80 CYS C C 13 173.036 0.300 . 1 . . . . 80 CYS C . 11230 1 910 . 1 1 80 80 CYS CA C 13 57.497 0.300 . 1 . . . . 80 CYS CA . 11230 1 911 . 1 1 80 80 CYS CB C 13 28.401 0.300 . 1 . . . . 80 CYS CB . 11230 1 912 . 1 1 80 80 CYS N N 15 122.336 0.300 . 1 . . . . 80 CYS N . 11230 1 913 . 1 1 81 81 SER H H 1 8.836 0.030 . 1 . . . . 81 SER H . 11230 1 914 . 1 1 81 81 SER HA H 1 5.837 0.030 . 1 . . . . 81 SER HA . 11230 1 915 . 1 1 81 81 SER HB2 H 1 3.582 0.030 . 2 . . . . 81 SER HB2 . 11230 1 916 . 1 1 81 81 SER HB3 H 1 3.846 0.030 . 2 . . . . 81 SER HB3 . 11230 1 917 . 1 1 81 81 SER C C 13 172.993 0.300 . 1 . . . . 81 SER C . 11230 1 918 . 1 1 81 81 SER CA C 13 57.255 0.300 . 1 . . . . 81 SER CA . 11230 1 919 . 1 1 81 81 SER CB C 13 67.049 0.300 . 1 . . . . 81 SER CB . 11230 1 920 . 1 1 81 81 SER N N 15 121.325 0.300 . 1 . . . . 81 SER N . 11230 1 921 . 1 1 82 82 PHE H H 1 8.770 0.030 . 1 . . . . 82 PHE H . 11230 1 922 . 1 1 82 82 PHE HA H 1 4.559 0.030 . 1 . . . . 82 PHE HA . 11230 1 923 . 1 1 82 82 PHE HB2 H 1 2.752 0.030 . 2 . . . . 82 PHE HB2 . 11230 1 924 . 1 1 82 82 PHE HB3 H 1 2.398 0.030 . 2 . . . . 82 PHE HB3 . 11230 1 925 . 1 1 82 82 PHE HD1 H 1 6.957 0.030 . 1 . . . . 82 PHE HD1 . 11230 1 926 . 1 1 82 82 PHE HD2 H 1 6.957 0.030 . 1 . . . . 82 PHE HD2 . 11230 1 927 . 1 1 82 82 PHE HE1 H 1 7.007 0.030 . 1 . . . . 82 PHE HE1 . 11230 1 928 . 1 1 82 82 PHE HE2 H 1 7.007 0.030 . 1 . . . . 82 PHE HE2 . 11230 1 929 . 1 1 82 82 PHE HZ H 1 7.186 0.030 . 1 . . . . 82 PHE HZ . 11230 1 930 . 1 1 82 82 PHE C C 13 175.205 0.300 . 1 . . . . 82 PHE C . 11230 1 931 . 1 1 82 82 PHE CA C 13 58.323 0.300 . 1 . . . . 82 PHE CA . 11230 1 932 . 1 1 82 82 PHE CB C 13 41.748 0.300 . 1 . . . . 82 PHE CB . 11230 1 933 . 1 1 82 82 PHE CD1 C 13 131.422 0.300 . 1 . . . . 82 PHE CD1 . 11230 1 934 . 1 1 82 82 PHE CD2 C 13 131.422 0.300 . 1 . . . . 82 PHE CD2 . 11230 1 935 . 1 1 82 82 PHE CE1 C 13 131.028 0.300 . 1 . . . . 82 PHE CE1 . 11230 1 936 . 1 1 82 82 PHE CE2 C 13 131.028 0.300 . 1 . . . . 82 PHE CE2 . 11230 1 937 . 1 1 82 82 PHE CZ C 13 130.034 0.300 . 1 . . . . 82 PHE CZ . 11230 1 938 . 1 1 82 82 PHE N N 15 122.802 0.300 . 1 . . . . 82 PHE N . 11230 1 939 . 1 1 83 83 GLY H H 1 8.372 0.030 . 1 . . . . 83 GLY H . 11230 1 940 . 1 1 83 83 GLY HA2 H 1 3.325 0.030 . 2 . . . . 83 GLY HA2 . 11230 1 941 . 1 1 83 83 GLY HA3 H 1 3.572 0.030 . 2 . . . . 83 GLY HA3 . 11230 1 942 . 1 1 83 83 GLY C C 13 174.875 0.300 . 1 . . . . 83 GLY C . 11230 1 943 . 1 1 83 83 GLY CA C 13 46.953 0.300 . 1 . . . . 83 GLY CA . 11230 1 944 . 1 1 83 83 GLY N N 15 118.011 0.300 . 1 . . . . 83 GLY N . 11230 1 945 . 1 1 84 84 ASP H H 1 8.509 0.030 . 1 . . . . 84 ASP H . 11230 1 946 . 1 1 84 84 ASP HA H 1 4.559 0.030 . 1 . . . . 84 ASP HA . 11230 1 947 . 1 1 84 84 ASP HB2 H 1 2.938 0.030 . 2 . . . . 84 ASP HB2 . 11230 1 948 . 1 1 84 84 ASP HB3 H 1 2.628 0.030 . 2 . . . . 84 ASP HB3 . 11230 1 949 . 1 1 84 84 ASP C C 13 175.883 0.300 . 1 . . . . 84 ASP C . 11230 1 950 . 1 1 84 84 ASP CA C 13 53.765 0.300 . 1 . . . . 84 ASP CA . 11230 1 951 . 1 1 84 84 ASP CB C 13 40.179 0.300 . 1 . . . . 84 ASP CB . 11230 1 952 . 1 1 84 84 ASP N N 15 126.452 0.300 . 1 . . . . 84 ASP N . 11230 1 953 . 1 1 85 85 GLN H H 1 8.374 0.030 . 1 . . . . 85 GLN H . 11230 1 954 . 1 1 85 85 GLN HA H 1 4.692 0.030 . 1 . . . . 85 GLN HA . 11230 1 955 . 1 1 85 85 GLN HB2 H 1 2.387 0.030 . 2 . . . . 85 GLN HB2 . 11230 1 956 . 1 1 85 85 GLN HB3 H 1 2.383 0.030 . 2 . . . . 85 GLN HB3 . 11230 1 957 . 1 1 85 85 GLN HE21 H 1 7.728 0.030 . 2 . . . . 85 GLN HE21 . 11230 1 958 . 1 1 85 85 GLN HE22 H 1 7.004 0.030 . 2 . . . . 85 GLN HE22 . 11230 1 959 . 1 1 85 85 GLN HG2 H 1 2.697 0.030 . 2 . . . . 85 GLN HG2 . 11230 1 960 . 1 1 85 85 GLN HG3 H 1 2.763 0.030 . 2 . . . . 85 GLN HG3 . 11230 1 961 . 1 1 85 85 GLN C C 13 175.636 0.300 . 1 . . . . 85 GLN C . 11230 1 962 . 1 1 85 85 GLN CA C 13 54.110 0.300 . 1 . . . . 85 GLN CA . 11230 1 963 . 1 1 85 85 GLN CB C 13 30.367 0.300 . 1 . . . . 85 GLN CB . 11230 1 964 . 1 1 85 85 GLN CG C 13 33.426 0.300 . 1 . . . . 85 GLN CG . 11230 1 965 . 1 1 85 85 GLN N N 15 119.833 0.300 . 1 . . . . 85 GLN N . 11230 1 966 . 1 1 85 85 GLN NE2 N 15 116.369 0.300 . 1 . . . . 85 GLN NE2 . 11230 1 967 . 1 1 86 86 THR H H 1 8.790 0.030 . 1 . . . . 86 THR H . 11230 1 968 . 1 1 86 86 THR HA H 1 5.231 0.030 . 1 . . . . 86 THR HA . 11230 1 969 . 1 1 86 86 THR HB H 1 3.735 0.030 . 1 . . . . 86 THR HB . 11230 1 970 . 1 1 86 86 THR HG21 H 1 0.990 0.030 . 1 . . . . 86 THR HG2 . 11230 1 971 . 1 1 86 86 THR HG22 H 1 0.990 0.030 . 1 . . . . 86 THR HG2 . 11230 1 972 . 1 1 86 86 THR HG23 H 1 0.990 0.030 . 1 . . . . 86 THR HG2 . 11230 1 973 . 1 1 86 86 THR C C 13 172.853 0.300 . 1 . . . . 86 THR C . 11230 1 974 . 1 1 86 86 THR CA C 13 61.741 0.300 . 1 . . . . 86 THR CA . 11230 1 975 . 1 1 86 86 THR CB C 13 72.498 0.300 . 1 . . . . 86 THR CB . 11230 1 976 . 1 1 86 86 THR CG2 C 13 21.520 0.300 . 1 . . . . 86 THR CG2 . 11230 1 977 . 1 1 86 86 THR N N 15 118.823 0.300 . 1 . . . . 86 THR N . 11230 1 978 . 1 1 87 87 THR H H 1 8.580 0.030 . 1 . . . . 87 THR H . 11230 1 979 . 1 1 87 87 THR HA H 1 4.731 0.030 . 1 . . . . 87 THR HA . 11230 1 980 . 1 1 87 87 THR HB H 1 3.486 0.030 . 1 . . . . 87 THR HB . 11230 1 981 . 1 1 87 87 THR HG21 H 1 0.071 0.030 . 1 . . . . 87 THR HG2 . 11230 1 982 . 1 1 87 87 THR HG22 H 1 0.071 0.030 . 1 . . . . 87 THR HG2 . 11230 1 983 . 1 1 87 87 THR HG23 H 1 0.071 0.030 . 1 . . . . 87 THR HG2 . 11230 1 984 . 1 1 87 87 THR C C 13 170.941 0.300 . 1 . . . . 87 THR C . 11230 1 985 . 1 1 87 87 THR CA C 13 58.837 0.300 . 1 . . . . 87 THR CA . 11230 1 986 . 1 1 87 87 THR CB C 13 70.297 0.300 . 1 . . . . 87 THR CB . 11230 1 987 . 1 1 87 87 THR CG2 C 13 18.279 0.300 . 1 . . . . 87 THR CG2 . 11230 1 988 . 1 1 87 87 THR N N 15 123.344 0.300 . 1 . . . . 87 THR N . 11230 1 989 . 1 1 88 88 SER H H 1 7.963 0.030 . 1 . . . . 88 SER H . 11230 1 990 . 1 1 88 88 SER HA H 1 5.516 0.030 . 1 . . . . 88 SER HA . 11230 1 991 . 1 1 88 88 SER HB2 H 1 3.557 0.030 . 1 . . . . 88 SER HB2 . 11230 1 992 . 1 1 88 88 SER HB3 H 1 3.557 0.030 . 1 . . . . 88 SER HB3 . 11230 1 993 . 1 1 88 88 SER C C 13 171.842 0.300 . 1 . . . . 88 SER C . 11230 1 994 . 1 1 88 88 SER CA C 13 57.284 0.300 . 1 . . . . 88 SER CA . 11230 1 995 . 1 1 88 88 SER CB C 13 66.606 0.300 . 1 . . . . 88 SER CB . 11230 1 996 . 1 1 88 88 SER N N 15 120.653 0.300 . 1 . . . . 88 SER N . 11230 1 997 . 1 1 89 89 ALA H H 1 9.164 0.030 . 1 . . . . 89 ALA H . 11230 1 998 . 1 1 89 89 ALA HA H 1 4.594 0.030 . 1 . . . . 89 ALA HA . 11230 1 999 . 1 1 89 89 ALA HB1 H 1 1.250 0.030 . 1 . . . . 89 ALA HB . 11230 1 1000 . 1 1 89 89 ALA HB2 H 1 1.250 0.030 . 1 . . . . 89 ALA HB . 11230 1 1001 . 1 1 89 89 ALA HB3 H 1 1.250 0.030 . 1 . . . . 89 ALA HB . 11230 1 1002 . 1 1 89 89 ALA C C 13 175.190 0.300 . 1 . . . . 89 ALA C . 11230 1 1003 . 1 1 89 89 ALA CA C 13 51.572 0.300 . 1 . . . . 89 ALA CA . 11230 1 1004 . 1 1 89 89 ALA CB C 13 23.855 0.300 . 1 . . . . 89 ALA CB . 11230 1 1005 . 1 1 89 89 ALA N N 15 123.071 0.300 . 1 . . . . 89 ALA N . 11230 1 1006 . 1 1 90 90 THR H H 1 9.141 0.030 . 1 . . . . 90 THR H . 11230 1 1007 . 1 1 90 90 THR HA H 1 4.962 0.030 . 1 . . . . 90 THR HA . 11230 1 1008 . 1 1 90 90 THR HB H 1 3.883 0.030 . 1 . . . . 90 THR HB . 11230 1 1009 . 1 1 90 90 THR HG21 H 1 1.066 0.030 . 1 . . . . 90 THR HG2 . 11230 1 1010 . 1 1 90 90 THR HG22 H 1 1.066 0.030 . 1 . . . . 90 THR HG2 . 11230 1 1011 . 1 1 90 90 THR HG23 H 1 1.066 0.030 . 1 . . . . 90 THR HG2 . 11230 1 1012 . 1 1 90 90 THR C C 13 174.054 0.300 . 1 . . . . 90 THR C . 11230 1 1013 . 1 1 90 90 THR CA C 13 62.168 0.300 . 1 . . . . 90 THR CA . 11230 1 1014 . 1 1 90 90 THR CB C 13 69.970 0.300 . 1 . . . . 90 THR CB . 11230 1 1015 . 1 1 90 90 THR CG2 C 13 22.016 0.300 . 1 . . . . 90 THR CG2 . 11230 1 1016 . 1 1 90 90 THR N N 15 116.037 0.300 . 1 . . . . 90 THR N . 11230 1 1017 . 1 1 91 91 LEU H H 1 9.491 0.030 . 1 . . . . 91 LEU H . 11230 1 1018 . 1 1 91 91 LEU HA H 1 5.219 0.030 . 1 . . . . 91 LEU HA . 11230 1 1019 . 1 1 91 91 LEU HB2 H 1 1.162 0.030 . 2 . . . . 91 LEU HB2 . 11230 1 1020 . 1 1 91 91 LEU HB3 H 1 2.364 0.030 . 2 . . . . 91 LEU HB3 . 11230 1 1021 . 1 1 91 91 LEU HD11 H 1 0.498 0.030 . 1 . . . . 91 LEU HD1 . 11230 1 1022 . 1 1 91 91 LEU HD12 H 1 0.498 0.030 . 1 . . . . 91 LEU HD1 . 11230 1 1023 . 1 1 91 91 LEU HD13 H 1 0.498 0.030 . 1 . . . . 91 LEU HD1 . 11230 1 1024 . 1 1 91 91 LEU HD21 H 1 0.649 0.030 . 1 . . . . 91 LEU HD2 . 11230 1 1025 . 1 1 91 91 LEU HD22 H 1 0.649 0.030 . 1 . . . . 91 LEU HD2 . 11230 1 1026 . 1 1 91 91 LEU HD23 H 1 0.649 0.030 . 1 . . . . 91 LEU HD2 . 11230 1 1027 . 1 1 91 91 LEU HG H 1 1.332 0.030 . 1 . . . . 91 LEU HG . 11230 1 1028 . 1 1 91 91 LEU C C 13 175.672 0.300 . 1 . . . . 91 LEU C . 11230 1 1029 . 1 1 91 91 LEU CA C 13 53.395 0.300 . 1 . . . . 91 LEU CA . 11230 1 1030 . 1 1 91 91 LEU CB C 13 44.926 0.300 . 1 . . . . 91 LEU CB . 11230 1 1031 . 1 1 91 91 LEU CD1 C 13 25.150 0.300 . 2 . . . . 91 LEU CD1 . 11230 1 1032 . 1 1 91 91 LEU CD2 C 13 24.586 0.300 . 2 . . . . 91 LEU CD2 . 11230 1 1033 . 1 1 91 91 LEU CG C 13 28.048 0.300 . 1 . . . . 91 LEU CG . 11230 1 1034 . 1 1 91 91 LEU N N 15 131.058 0.300 . 1 . . . . 91 LEU N . 11230 1 1035 . 1 1 92 92 THR H H 1 9.227 0.030 . 1 . . . . 92 THR H . 11230 1 1036 . 1 1 92 92 THR HA H 1 4.441 0.030 . 1 . . . . 92 THR HA . 11230 1 1037 . 1 1 92 92 THR HB H 1 3.989 0.030 . 1 . . . . 92 THR HB . 11230 1 1038 . 1 1 92 92 THR HG21 H 1 1.153 0.030 . 1 . . . . 92 THR HG2 . 11230 1 1039 . 1 1 92 92 THR HG22 H 1 1.153 0.030 . 1 . . . . 92 THR HG2 . 11230 1 1040 . 1 1 92 92 THR HG23 H 1 1.153 0.030 . 1 . . . . 92 THR HG2 . 11230 1 1041 . 1 1 92 92 THR C C 13 172.207 0.300 . 1 . . . . 92 THR C . 11230 1 1042 . 1 1 92 92 THR CA C 13 62.568 0.300 . 1 . . . . 92 THR CA . 11230 1 1043 . 1 1 92 92 THR CB C 13 70.032 0.300 . 1 . . . . 92 THR CB . 11230 1 1044 . 1 1 92 92 THR CG2 C 13 20.996 0.300 . 1 . . . . 92 THR CG2 . 11230 1 1045 . 1 1 92 92 THR N N 15 125.674 0.300 . 1 . . . . 92 THR N . 11230 1 1046 . 1 1 93 93 VAL H H 1 8.579 0.030 . 1 . . . . 93 VAL H . 11230 1 1047 . 1 1 93 93 VAL HA H 1 4.904 0.030 . 1 . . . . 93 VAL HA . 11230 1 1048 . 1 1 93 93 VAL HB H 1 1.934 0.030 . 1 . . . . 93 VAL HB . 11230 1 1049 . 1 1 93 93 VAL HG11 H 1 0.479 0.030 . 1 . . . . 93 VAL HG1 . 11230 1 1050 . 1 1 93 93 VAL HG12 H 1 0.479 0.030 . 1 . . . . 93 VAL HG1 . 11230 1 1051 . 1 1 93 93 VAL HG13 H 1 0.479 0.030 . 1 . . . . 93 VAL HG1 . 11230 1 1052 . 1 1 93 93 VAL HG21 H 1 0.717 0.030 . 1 . . . . 93 VAL HG2 . 11230 1 1053 . 1 1 93 93 VAL HG22 H 1 0.717 0.030 . 1 . . . . 93 VAL HG2 . 11230 1 1054 . 1 1 93 93 VAL HG23 H 1 0.717 0.030 . 1 . . . . 93 VAL HG2 . 11230 1 1055 . 1 1 93 93 VAL C C 13 175.933 0.300 . 1 . . . . 93 VAL C . 11230 1 1056 . 1 1 93 93 VAL CA C 13 60.210 0.300 . 1 . . . . 93 VAL CA . 11230 1 1057 . 1 1 93 93 VAL CB C 13 32.210 0.300 . 1 . . . . 93 VAL CB . 11230 1 1058 . 1 1 93 93 VAL CG1 C 13 20.791 0.300 . 2 . . . . 93 VAL CG1 . 11230 1 1059 . 1 1 93 93 VAL CG2 C 13 21.228 0.300 . 2 . . . . 93 VAL CG2 . 11230 1 1060 . 1 1 93 93 VAL N N 15 127.972 0.300 . 1 . . . . 93 VAL N . 11230 1 1061 . 1 1 94 94 THR H H 1 8.687 0.030 . 1 . . . . 94 THR H . 11230 1 1062 . 1 1 94 94 THR HA H 1 4.254 0.030 . 1 . . . . 94 THR HA . 11230 1 1063 . 1 1 94 94 THR HB H 1 4.026 0.030 . 1 . . . . 94 THR HB . 11230 1 1064 . 1 1 94 94 THR HG21 H 1 1.167 0.030 . 1 . . . . 94 THR HG2 . 11230 1 1065 . 1 1 94 94 THR HG22 H 1 1.167 0.030 . 1 . . . . 94 THR HG2 . 11230 1 1066 . 1 1 94 94 THR HG23 H 1 1.167 0.030 . 1 . . . . 94 THR HG2 . 11230 1 1067 . 1 1 94 94 THR C C 13 173.188 0.300 . 1 . . . . 94 THR C . 11230 1 1068 . 1 1 94 94 THR CA C 13 61.456 0.300 . 1 . . . . 94 THR CA . 11230 1 1069 . 1 1 94 94 THR CB C 13 69.713 0.300 . 1 . . . . 94 THR CB . 11230 1 1070 . 1 1 94 94 THR CG2 C 13 22.308 0.300 . 1 . . . . 94 THR CG2 . 11230 1 1071 . 1 1 94 94 THR N N 15 124.414 0.300 . 1 . . . . 94 THR N . 11230 1 1072 . 1 1 95 95 ALA H H 1 8.469 0.030 . 1 . . . . 95 ALA H . 11230 1 1073 . 1 1 95 95 ALA HA H 1 4.476 0.030 . 1 . . . . 95 ALA HA . 11230 1 1074 . 1 1 95 95 ALA HB1 H 1 1.366 0.030 . 1 . . . . 95 ALA HB . 11230 1 1075 . 1 1 95 95 ALA HB2 H 1 1.366 0.030 . 1 . . . . 95 ALA HB . 11230 1 1076 . 1 1 95 95 ALA HB3 H 1 1.366 0.030 . 1 . . . . 95 ALA HB . 11230 1 1077 . 1 1 95 95 ALA C C 13 178.132 0.300 . 1 . . . . 95 ALA C . 11230 1 1078 . 1 1 95 95 ALA CA C 13 51.677 0.300 . 1 . . . . 95 ALA CA . 11230 1 1079 . 1 1 95 95 ALA CB C 13 19.940 0.300 . 1 . . . . 95 ALA CB . 11230 1 1080 . 1 1 95 95 ALA N N 15 126.452 0.300 . 1 . . . . 95 ALA N . 11230 1 1081 . 1 1 96 96 LEU H H 1 9.081 0.030 . 1 . . . . 96 LEU H . 11230 1 1082 . 1 1 96 96 LEU HA H 1 4.418 0.030 . 1 . . . . 96 LEU HA . 11230 1 1083 . 1 1 96 96 LEU HB2 H 1 1.538 0.030 . 1 . . . . 96 LEU HB2 . 11230 1 1084 . 1 1 96 96 LEU HB3 H 1 1.538 0.030 . 1 . . . . 96 LEU HB3 . 11230 1 1085 . 1 1 96 96 LEU HD11 H 1 0.912 0.030 . 1 . . . . 96 LEU HD1 . 11230 1 1086 . 1 1 96 96 LEU HD12 H 1 0.912 0.030 . 1 . . . . 96 LEU HD1 . 11230 1 1087 . 1 1 96 96 LEU HD13 H 1 0.912 0.030 . 1 . . . . 96 LEU HD1 . 11230 1 1088 . 1 1 96 96 LEU HD21 H 1 0.976 0.030 . 1 . . . . 96 LEU HD2 . 11230 1 1089 . 1 1 96 96 LEU HD22 H 1 0.976 0.030 . 1 . . . . 96 LEU HD2 . 11230 1 1090 . 1 1 96 96 LEU HD23 H 1 0.976 0.030 . 1 . . . . 96 LEU HD2 . 11230 1 1091 . 1 1 96 96 LEU HG H 1 1.680 0.030 . 1 . . . . 96 LEU HG . 11230 1 1092 . 1 1 96 96 LEU C C 13 175.701 0.300 . 1 . . . . 96 LEU C . 11230 1 1093 . 1 1 96 96 LEU CA C 13 53.373 0.300 . 1 . . . . 96 LEU CA . 11230 1 1094 . 1 1 96 96 LEU CB C 13 41.454 0.300 . 1 . . . . 96 LEU CB . 11230 1 1095 . 1 1 96 96 LEU CD1 C 13 25.316 0.300 . 2 . . . . 96 LEU CD1 . 11230 1 1096 . 1 1 96 96 LEU CD2 C 13 23.705 0.300 . 2 . . . . 96 LEU CD2 . 11230 1 1097 . 1 1 96 96 LEU CG C 13 27.275 0.300 . 1 . . . . 96 LEU CG . 11230 1 1098 . 1 1 96 96 LEU N N 15 123.802 0.300 . 1 . . . . 96 LEU N . 11230 1 1099 . 1 1 97 97 PRO HA H 1 4.455 0.030 . 1 . . . . 97 PRO HA . 11230 1 1100 . 1 1 97 97 PRO HB2 H 1 2.321 0.030 . 2 . . . . 97 PRO HB2 . 11230 1 1101 . 1 1 97 97 PRO HB3 H 1 1.935 0.030 . 2 . . . . 97 PRO HB3 . 11230 1 1102 . 1 1 97 97 PRO HD2 H 1 3.664 0.030 . 2 . . . . 97 PRO HD2 . 11230 1 1103 . 1 1 97 97 PRO HD3 H 1 3.865 0.030 . 2 . . . . 97 PRO HD3 . 11230 1 1104 . 1 1 97 97 PRO HG2 H 1 2.049 0.030 . 1 . . . . 97 PRO HG2 . 11230 1 1105 . 1 1 97 97 PRO HG3 H 1 2.049 0.030 . 1 . . . . 97 PRO HG3 . 11230 1 1106 . 1 1 97 97 PRO C C 13 176.923 0.300 . 1 . . . . 97 PRO C . 11230 1 1107 . 1 1 97 97 PRO CA C 13 63.196 0.300 . 1 . . . . 97 PRO CA . 11230 1 1108 . 1 1 97 97 PRO CB C 13 31.969 0.300 . 1 . . . . 97 PRO CB . 11230 1 1109 . 1 1 97 97 PRO CD C 13 50.507 0.300 . 1 . . . . 97 PRO CD . 11230 1 1110 . 1 1 97 97 PRO CG C 13 27.421 0.300 . 1 . . . . 97 PRO CG . 11230 1 1111 . 1 1 98 98 SER H H 1 8.415 0.030 . 1 . . . . 98 SER H . 11230 1 1112 . 1 1 98 98 SER HA H 1 4.471 0.030 . 1 . . . . 98 SER HA . 11230 1 1113 . 1 1 98 98 SER HB2 H 1 3.883 0.030 . 1 . . . . 98 SER HB2 . 11230 1 1114 . 1 1 98 98 SER HB3 H 1 3.883 0.030 . 1 . . . . 98 SER HB3 . 11230 1 1115 . 1 1 98 98 SER C C 13 174.692 0.300 . 1 . . . . 98 SER C . 11230 1 1116 . 1 1 98 98 SER CA C 13 58.147 0.300 . 1 . . . . 98 SER CA . 11230 1 1117 . 1 1 98 98 SER CB C 13 63.919 0.300 . 1 . . . . 98 SER CB . 11230 1 1118 . 1 1 98 98 SER N N 15 116.235 0.300 . 1 . . . . 98 SER N . 11230 1 1119 . 1 1 99 99 GLY H H 1 8.238 0.030 . 1 . . . . 99 GLY H . 11230 1 1120 . 1 1 99 99 GLY HA2 H 1 4.094 0.030 . 1 . . . . 99 GLY HA2 . 11230 1 1121 . 1 1 99 99 GLY HA3 H 1 4.094 0.030 . 1 . . . . 99 GLY HA3 . 11230 1 1122 . 1 1 99 99 GLY C C 13 171.762 0.300 . 1 . . . . 99 GLY C . 11230 1 1123 . 1 1 99 99 GLY CA C 13 44.541 0.300 . 1 . . . . 99 GLY CA . 11230 1 1124 . 1 1 99 99 GLY N N 15 110.713 0.300 . 1 . . . . 99 GLY N . 11230 1 1125 . 1 1 100 100 PRO HA H 1 4.674 0.030 . 1 . . . . 100 PRO HA . 11230 1 1126 . 1 1 100 100 PRO HB2 H 1 2.174 0.030 . 2 . . . . 100 PRO HB2 . 11230 1 1127 . 1 1 100 100 PRO HB3 H 1 2.409 0.030 . 2 . . . . 100 PRO HB3 . 11230 1 1128 . 1 1 100 100 PRO HD2 H 1 3.583 0.030 . 2 . . . . 100 PRO HD2 . 11230 1 1129 . 1 1 100 100 PRO HD3 H 1 3.533 0.030 . 2 . . . . 100 PRO HD3 . 11230 1 1130 . 1 1 100 100 PRO HG2 H 1 1.950 0.030 . 2 . . . . 100 PRO HG2 . 11230 1 1131 . 1 1 100 100 PRO HG3 H 1 1.857 0.030 . 2 . . . . 100 PRO HG3 . 11230 1 1132 . 1 1 100 100 PRO CA C 13 62.572 0.300 . 1 . . . . 100 PRO CA . 11230 1 1133 . 1 1 100 100 PRO CB C 13 34.695 0.300 . 1 . . . . 100 PRO CB . 11230 1 1134 . 1 1 100 100 PRO CD C 13 50.354 0.300 . 1 . . . . 100 PRO CD . 11230 1 1135 . 1 1 100 100 PRO CG C 13 24.725 0.300 . 1 . . . . 100 PRO CG . 11230 1 1136 . 1 1 102 102 SER H H 1 8.212 0.030 . 1 . . . . 102 SER H . 11230 1 1137 . 1 1 102 102 SER HA H 1 4.528 0.030 . 1 . . . . 102 SER HA . 11230 1 1138 . 1 1 102 102 SER HB2 H 1 3.898 0.030 . 1 . . . . 102 SER HB2 . 11230 1 1139 . 1 1 102 102 SER HB3 H 1 3.898 0.030 . 1 . . . . 102 SER HB3 . 11230 1 1140 . 1 1 102 102 SER C C 13 173.932 0.300 . 1 . . . . 102 SER C . 11230 1 1141 . 1 1 102 102 SER CA C 13 58.412 0.300 . 1 . . . . 102 SER CA . 11230 1 1142 . 1 1 102 102 SER CB C 13 63.913 0.300 . 1 . . . . 102 SER CB . 11230 1 1143 . 1 1 103 103 GLY H H 1 8.074 0.030 . 1 . . . . 103 GLY H . 11230 1 1144 . 1 1 103 103 GLY HA2 H 1 3.764 0.030 . 2 . . . . 103 GLY HA2 . 11230 1 1145 . 1 1 103 103 GLY HA3 H 1 3.802 0.030 . 2 . . . . 103 GLY HA3 . 11230 1 1146 . 1 1 103 103 GLY C C 13 179.028 0.300 . 1 . . . . 103 GLY C . 11230 1 1147 . 1 1 103 103 GLY CA C 13 46.235 0.300 . 1 . . . . 103 GLY CA . 11230 1 1148 . 1 1 103 103 GLY N N 15 116.925 0.300 . 1 . . . . 103 GLY N . 11230 1 stop_ save_