data_36018 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36018 _Entry.Title ; Solution structure of the first RRM domain of human spliceosomal protein SF3b49 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-06 _Entry.Accession_date 2016-10-28 _Entry.Last_release_date 2016-10-27 _Entry.Original_release_date 2016-10-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _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.ORCID _Entry_author.Entry_ID 1 K. Kuwasako K. . . . 36018 2 N. Nameki N. . . . 36018 3 K. Tsuda K. . . . 36018 4 M. Takahashi M. . . . 36018 5 A. Sato A. . . . 36018 6 N. Tochio N. . . . 36018 7 M. Inoue M. . . . 36018 8 T. Terada T. . . . 36018 9 T. Kigawa T. . . . 36018 10 N. Kobayashi N. . . . 36018 11 M. Shirouzu M. . . . 36018 12 T. Ito T. . . . 36018 13 T. Sakamoto T. . . . 36018 14 K. Wakamatsu K. . . . 36018 15 P. Guntert P. . . . 36018 16 S. Takahashi S. . . . 36018 17 S. Yokoyama S. . . . 36018 18 Y. Muto Y. . . . 36018 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 1 'NPPSFA, National Project on Protein Structural and Functional Analyses' 'RIKEN Structural Genomics/Proteomics Initiative' RSGI 36018 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA BINDING PROTEIN' . 36018 RRM . 36018 SF3b145 . 36018 SF3b49 . 36018 'U2 snRNP' . 36018 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36018 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 411 36018 '15N chemical shifts' 94 36018 '1H chemical shifts' 657 36018 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 . . 2017-04-11 . original BMRB . 36018 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5GVQ 'BMRB Entry Tracking System' 36018 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36018 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27862552 _Citation.Full_citation . _Citation.Title ; Solution structure of the first RNA recognition motif domain of human spliceosomal protein SF3b49 and its mode of interaction with a SF3b145 fragment ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 26 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _Citation.Journal_CSD 0353 _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 280 _Citation.Page_last 291 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kanako Kuwasako K. . . . 36018 1 2 Nobukazu Nameki N. . . . 36018 1 3 Kengo Tsuda K. . . . 36018 1 4 Mari Takahashi M. . . . 36018 1 5 Atsuko Sato A. . . . 36018 1 6 Naoya Tochio N. . . . 36018 1 7 Makoto Inoue M. . . . 36018 1 8 Takaho Terada T. . . . 36018 1 9 Takanori Kigawa T. . . . 36018 1 10 Naohiro Kobayashi N. . . . 36018 1 11 Mikako Shirouzu M. . . . 36018 1 12 Takuhiro Ito T. . . . 36018 1 13 Taiichi Sakamoto T. . . . 36018 1 14 Kaori Wakamatsu K. . . . 36018 1 15 Peter Guntert P. . . . 36018 1 16 Seizo Takahashi S. . . . 36018 1 17 Shigeyuki Yokoyama S. . . . 36018 1 18 Yutaka Muto Y. . . . 36018 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36018 _Assembly.ID 1 _Assembly.Name 'Splicing factor 3B subunit 4' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 entity_1 1 $entity_1 A A yes . . . . . . 36018 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36018 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Splicing factor 3B subunit 4' _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 ; GSSGSSGPISERNQDATVYV GGLDEKVSEPLLWELFLQAG PVVNTHMPKDRVTGQHQGYG FVEFLSEEDADYAIKIMDMI KLYGKPIRVNKASAHNKNLS GPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11378.703 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Pre-mRNA-splicing factor SF3b 49 kDa subunit' na 36018 1 'SAP 49' na 36018 1 'Spliceosome-associated protein 49' na 36018 1 'spliceosomal protein SF3b49' na 36018 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 1 GLY . 36018 1 2 2 SER . 36018 1 3 3 SER . 36018 1 4 4 GLY . 36018 1 5 5 SER . 36018 1 6 6 SER . 36018 1 7 7 GLY . 36018 1 8 8 PRO . 36018 1 9 9 ILE . 36018 1 10 10 SER . 36018 1 11 11 GLU . 36018 1 12 12 ARG . 36018 1 13 13 ASN . 36018 1 14 14 GLN . 36018 1 15 15 ASP . 36018 1 16 16 ALA . 36018 1 17 17 THR . 36018 1 18 18 VAL . 36018 1 19 19 TYR . 36018 1 20 20 VAL . 36018 1 21 21 GLY . 36018 1 22 22 GLY . 36018 1 23 23 LEU . 36018 1 24 24 ASP . 36018 1 25 25 GLU . 36018 1 26 26 LYS . 36018 1 27 27 VAL . 36018 1 28 28 SER . 36018 1 29 29 GLU . 36018 1 30 30 PRO . 36018 1 31 31 LEU . 36018 1 32 32 LEU . 36018 1 33 33 TRP . 36018 1 34 34 GLU . 36018 1 35 35 LEU . 36018 1 36 36 PHE . 36018 1 37 37 LEU . 36018 1 38 38 GLN . 36018 1 39 39 ALA . 36018 1 40 40 GLY . 36018 1 41 41 PRO . 36018 1 42 42 VAL . 36018 1 43 43 VAL . 36018 1 44 44 ASN . 36018 1 45 45 THR . 36018 1 46 46 HIS . 36018 1 47 47 MET . 36018 1 48 48 PRO . 36018 1 49 49 LYS . 36018 1 50 50 ASP . 36018 1 51 51 ARG . 36018 1 52 52 VAL . 36018 1 53 53 THR . 36018 1 54 54 GLY . 36018 1 55 55 GLN . 36018 1 56 56 HIS . 36018 1 57 57 GLN . 36018 1 58 58 GLY . 36018 1 59 59 TYR . 36018 1 60 60 GLY . 36018 1 61 61 PHE . 36018 1 62 62 VAL . 36018 1 63 63 GLU . 36018 1 64 64 PHE . 36018 1 65 65 LEU . 36018 1 66 66 SER . 36018 1 67 67 GLU . 36018 1 68 68 GLU . 36018 1 69 69 ASP . 36018 1 70 70 ALA . 36018 1 71 71 ASP . 36018 1 72 72 TYR . 36018 1 73 73 ALA . 36018 1 74 74 ILE . 36018 1 75 75 LYS . 36018 1 76 76 ILE . 36018 1 77 77 MET . 36018 1 78 78 ASP . 36018 1 79 79 MET . 36018 1 80 80 ILE . 36018 1 81 81 LYS . 36018 1 82 82 LEU . 36018 1 83 83 TYR . 36018 1 84 84 GLY . 36018 1 85 85 LYS . 36018 1 86 86 PRO . 36018 1 87 87 ILE . 36018 1 88 88 ARG . 36018 1 89 89 VAL . 36018 1 90 90 ASN . 36018 1 91 91 LYS . 36018 1 92 92 ALA . 36018 1 93 93 SER . 36018 1 94 94 ALA . 36018 1 95 95 HIS . 36018 1 96 96 ASN . 36018 1 97 97 LYS . 36018 1 98 98 ASN . 36018 1 99 99 LEU . 36018 1 100 100 SER . 36018 1 101 101 GLY . 36018 1 102 102 PRO . 36018 1 103 103 SER . 36018 1 104 104 SER . 36018 1 105 105 GLY . 36018 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 36018 1 . SER 2 2 36018 1 . SER 3 3 36018 1 . GLY 4 4 36018 1 . SER 5 5 36018 1 . SER 6 6 36018 1 . GLY 7 7 36018 1 . PRO 8 8 36018 1 . ILE 9 9 36018 1 . SER 10 10 36018 1 . GLU 11 11 36018 1 . ARG 12 12 36018 1 . ASN 13 13 36018 1 . GLN 14 14 36018 1 . ASP 15 15 36018 1 . ALA 16 16 36018 1 . THR 17 17 36018 1 . VAL 18 18 36018 1 . TYR 19 19 36018 1 . VAL 20 20 36018 1 . GLY 21 21 36018 1 . GLY 22 22 36018 1 . LEU 23 23 36018 1 . ASP 24 24 36018 1 . GLU 25 25 36018 1 . LYS 26 26 36018 1 . VAL 27 27 36018 1 . SER 28 28 36018 1 . GLU 29 29 36018 1 . PRO 30 30 36018 1 . LEU 31 31 36018 1 . LEU 32 32 36018 1 . TRP 33 33 36018 1 . GLU 34 34 36018 1 . LEU 35 35 36018 1 . PHE 36 36 36018 1 . LEU 37 37 36018 1 . GLN 38 38 36018 1 . ALA 39 39 36018 1 . GLY 40 40 36018 1 . PRO 41 41 36018 1 . VAL 42 42 36018 1 . VAL 43 43 36018 1 . ASN 44 44 36018 1 . THR 45 45 36018 1 . HIS 46 46 36018 1 . MET 47 47 36018 1 . PRO 48 48 36018 1 . LYS 49 49 36018 1 . ASP 50 50 36018 1 . ARG 51 51 36018 1 . VAL 52 52 36018 1 . THR 53 53 36018 1 . GLY 54 54 36018 1 . GLN 55 55 36018 1 . HIS 56 56 36018 1 . GLN 57 57 36018 1 . GLY 58 58 36018 1 . TYR 59 59 36018 1 . GLY 60 60 36018 1 . PHE 61 61 36018 1 . VAL 62 62 36018 1 . GLU 63 63 36018 1 . PHE 64 64 36018 1 . LEU 65 65 36018 1 . SER 66 66 36018 1 . GLU 67 67 36018 1 . GLU 68 68 36018 1 . ASP 69 69 36018 1 . ALA 70 70 36018 1 . ASP 71 71 36018 1 . TYR 72 72 36018 1 . ALA 73 73 36018 1 . ILE 74 74 36018 1 . LYS 75 75 36018 1 . ILE 76 76 36018 1 . MET 77 77 36018 1 . ASP 78 78 36018 1 . MET 79 79 36018 1 . ILE 80 80 36018 1 . LYS 81 81 36018 1 . LEU 82 82 36018 1 . TYR 83 83 36018 1 . GLY 84 84 36018 1 . LYS 85 85 36018 1 . PRO 86 86 36018 1 . ILE 87 87 36018 1 . ARG 88 88 36018 1 . VAL 89 89 36018 1 . ASN 90 90 36018 1 . LYS 91 91 36018 1 . ALA 92 92 36018 1 . SER 93 93 36018 1 . ALA 94 94 36018 1 . HIS 95 95 36018 1 . ASN 96 96 36018 1 . LYS 97 97 36018 1 . ASN 98 98 36018 1 . LEU 99 99 36018 1 . SER 100 100 36018 1 . GLY 101 101 36018 1 . PRO 102 102 36018 1 . SER 103 103 36018 1 . SER 104 104 36018 1 . GLY 105 105 36018 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 36018 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _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 . . . . . . . . . . . 'SF3B4, SAP49' . 36018 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 36018 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 36018 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36018 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM [U-100% 13C; U-100% 15N] human spliceosomal protein SF3b49, 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 'human spliceosomal protein SF3b49' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . protein 0.8 . . mM . . . . 36018 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36018 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36018 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36018 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 36018 1 pH 7.0 . pH 36018 1 pressure 1 . atm 36018 1 temperature 298 . K 36018 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36018 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 36018 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36018 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36018 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36018 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36018 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36018 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36018 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 36018 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36018 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36018 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 36018 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36018 _Software.ID 5 _Software.Name kujira _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N' . . 36018 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 36018 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36018 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36018 _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 NMR_spectrometer_1 Bruker Avance . 800 . . . 36018 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 36018 _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 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36018 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36018 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36018 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36018 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36018 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 36018 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 36018 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 36018 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_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36018 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_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 1H-15N NOESY' 1 $sample_1 isotropic 36018 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36018 1 3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36018 1 4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36018 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 9 9 ILE H H 1 8.328 0.030 . 1 . . . A 9 ILE H . 36018 1 2 . 1 1 9 9 ILE HA H 1 4.079 0.030 . 1 . . . A 9 ILE HA . 36018 1 3 . 1 1 9 9 ILE HB H 1 1.756 0.030 . 1 . . . A 9 ILE HB . 36018 1 4 . 1 1 9 9 ILE HG12 H 1 1.113 0.030 . 2 . . . A 9 ILE HG12 . 36018 1 5 . 1 1 9 9 ILE HG13 H 1 1.359 0.030 . 2 . . . A 9 ILE HG13 . 36018 1 6 . 1 1 9 9 ILE HG21 H 1 0.806 0.030 . 1 . . . A 9 ILE HG21 . 36018 1 7 . 1 1 9 9 ILE HG22 H 1 0.806 0.030 . 1 . . . A 9 ILE HG22 . 36018 1 8 . 1 1 9 9 ILE HG23 H 1 0.806 0.030 . 1 . . . A 9 ILE HG23 . 36018 1 9 . 1 1 9 9 ILE HD11 H 1 0.743 0.030 . 1 . . . A 9 ILE HD11 . 36018 1 10 . 1 1 9 9 ILE HD12 H 1 0.743 0.030 . 1 . . . A 9 ILE HD12 . 36018 1 11 . 1 1 9 9 ILE HD13 H 1 0.743 0.030 . 1 . . . A 9 ILE HD13 . 36018 1 12 . 1 1 9 9 ILE CA C 13 61.110 0.300 . 1 . . . A 9 ILE CA . 36018 1 13 . 1 1 9 9 ILE CB C 13 38.546 0.300 . 1 . . . A 9 ILE CB . 36018 1 14 . 1 1 9 9 ILE CG1 C 13 27.377 0.300 . 1 . . . A 9 ILE CG1 . 36018 1 15 . 1 1 9 9 ILE CG2 C 13 17.515 0.300 . 1 . . . A 9 ILE CG2 . 36018 1 16 . 1 1 9 9 ILE CD1 C 13 12.960 0.300 . 1 . . . A 9 ILE CD1 . 36018 1 17 . 1 1 9 9 ILE N N 15 119.670 0.300 . 1 . . . A 9 ILE N . 36018 1 18 . 1 1 11 11 GLU H H 1 8.153 0.030 . 1 . . . A 11 GLU H . 36018 1 19 . 1 1 11 11 GLU HA H 1 4.211 0.030 . 1 . . . A 11 GLU HA . 36018 1 20 . 1 1 11 11 GLU HB2 H 1 1.870 0.030 . 2 . . . A 11 GLU HB2 . 36018 1 21 . 1 1 11 11 GLU HB3 H 1 2.022 0.030 . 2 . . . A 11 GLU HB3 . 36018 1 22 . 1 1 11 11 GLU HG2 H 1 2.188 0.030 . 2 . . . A 11 GLU HG2 . 36018 1 23 . 1 1 11 11 GLU HG3 H 1 2.218 0.030 . 2 . . . A 11 GLU HG3 . 36018 1 24 . 1 1 11 11 GLU CA C 13 56.855 0.300 . 1 . . . A 11 GLU CA . 36018 1 25 . 1 1 11 11 GLU CB C 13 30.168 0.300 . 1 . . . A 11 GLU CB . 36018 1 26 . 1 1 11 11 GLU CG C 13 36.278 0.300 . 1 . . . A 11 GLU CG . 36018 1 27 . 1 1 12 12 ARG H H 1 8.144 0.030 . 1 . . . A 12 ARG H . 36018 1 28 . 1 1 12 12 ARG HA H 1 4.289 0.030 . 1 . . . A 12 ARG HA . 36018 1 29 . 1 1 12 12 ARG HB2 H 1 1.699 0.030 . 2 . . . A 12 ARG HB2 . 36018 1 30 . 1 1 12 12 ARG HB3 H 1 1.651 0.030 . 2 . . . A 12 ARG HB3 . 36018 1 31 . 1 1 12 12 ARG HG2 H 1 1.474 0.030 . 1 . . . A 12 ARG HG2 . 36018 1 32 . 1 1 12 12 ARG HG3 H 1 1.474 0.030 . 1 . . . A 12 ARG HG3 . 36018 1 33 . 1 1 12 12 ARG HD2 H 1 3.064 0.030 . 1 . . . A 12 ARG HD2 . 36018 1 34 . 1 1 12 12 ARG HD3 H 1 3.064 0.030 . 1 . . . A 12 ARG HD3 . 36018 1 35 . 1 1 12 12 ARG C C 13 176.098 0.300 . 1 . . . A 12 ARG C . 36018 1 36 . 1 1 12 12 ARG CA C 13 56.204 0.300 . 1 . . . A 12 ARG CA . 36018 1 37 . 1 1 12 12 ARG CB C 13 30.848 0.300 . 1 . . . A 12 ARG CB . 36018 1 38 . 1 1 12 12 ARG CG C 13 26.748 0.300 . 1 . . . A 12 ARG CG . 36018 1 39 . 1 1 12 12 ARG CD C 13 43.269 0.300 . 1 . . . A 12 ARG CD . 36018 1 40 . 1 1 12 12 ARG N N 15 120.882 0.300 . 1 . . . A 12 ARG N . 36018 1 41 . 1 1 13 13 ASN H H 1 8.369 0.030 . 1 . . . A 13 ASN H . 36018 1 42 . 1 1 13 13 ASN HA H 1 4.782 0.030 . 1 . . . A 13 ASN HA . 36018 1 43 . 1 1 13 13 ASN HB2 H 1 2.708 0.030 . 2 . . . A 13 ASN HB2 . 36018 1 44 . 1 1 13 13 ASN HB3 H 1 3.007 0.030 . 2 . . . A 13 ASN HB3 . 36018 1 45 . 1 1 13 13 ASN HD21 H 1 6.982 0.030 . 2 . . . A 13 ASN HD21 . 36018 1 46 . 1 1 13 13 ASN HD22 H 1 7.794 0.030 . 2 . . . A 13 ASN HD22 . 36018 1 47 . 1 1 13 13 ASN C C 13 176.924 0.300 . 1 . . . A 13 ASN C . 36018 1 48 . 1 1 13 13 ASN CA C 13 52.555 0.300 . 1 . . . A 13 ASN CA . 36018 1 49 . 1 1 13 13 ASN CB C 13 38.150 0.300 . 1 . . . A 13 ASN CB . 36018 1 50 . 1 1 13 13 ASN N N 15 120.013 0.300 . 1 . . . A 13 ASN N . 36018 1 51 . 1 1 13 13 ASN ND2 N 15 111.899 0.300 . 1 . . . A 13 ASN ND2 . 36018 1 52 . 1 1 14 14 GLN H H 1 8.678 0.030 . 1 . . . A 14 GLN H . 36018 1 53 . 1 1 14 14 GLN HA H 1 4.006 0.030 . 1 . . . A 14 GLN HA . 36018 1 54 . 1 1 14 14 GLN HB2 H 1 2.009 0.030 . 2 . . . A 14 GLN HB2 . 36018 1 55 . 1 1 14 14 GLN HB3 H 1 2.076 0.030 . 2 . . . A 14 GLN HB3 . 36018 1 56 . 1 1 14 14 GLN HG2 H 1 2.321 0.030 . 1 . . . A 14 GLN HG2 . 36018 1 57 . 1 1 14 14 GLN HG3 H 1 2.321 0.030 . 1 . . . A 14 GLN HG3 . 36018 1 58 . 1 1 14 14 GLN HE21 H 1 6.698 0.030 . 2 . . . A 14 GLN HE21 . 36018 1 59 . 1 1 14 14 GLN HE22 H 1 7.444 0.030 . 2 . . . A 14 GLN HE22 . 36018 1 60 . 1 1 14 14 GLN C C 13 177.378 0.300 . 1 . . . A 14 GLN C . 36018 1 61 . 1 1 14 14 GLN CA C 13 58.395 0.300 . 1 . . . A 14 GLN CA . 36018 1 62 . 1 1 14 14 GLN CB C 13 28.993 0.300 . 1 . . . A 14 GLN CB . 36018 1 63 . 1 1 14 14 GLN CG C 13 33.772 0.300 . 1 . . . A 14 GLN CG . 36018 1 64 . 1 1 14 14 GLN N N 15 124.706 0.300 . 1 . . . A 14 GLN N . 36018 1 65 . 1 1 14 14 GLN NE2 N 15 111.427 0.300 . 1 . . . A 14 GLN NE2 . 36018 1 66 . 1 1 15 15 ASP H H 1 8.331 0.030 . 1 . . . A 15 ASP H . 36018 1 67 . 1 1 15 15 ASP HA H 1 4.621 0.030 . 1 . . . A 15 ASP HA . 36018 1 68 . 1 1 15 15 ASP HB2 H 1 2.765 0.030 . 2 . . . A 15 ASP HB2 . 36018 1 69 . 1 1 15 15 ASP HB3 H 1 2.642 0.030 . 2 . . . A 15 ASP HB3 . 36018 1 70 . 1 1 15 15 ASP C C 13 175.188 0.300 . 1 . . . A 15 ASP C . 36018 1 71 . 1 1 15 15 ASP CA C 13 56.300 0.300 . 1 . . . A 15 ASP CA . 36018 1 72 . 1 1 15 15 ASP CB C 13 40.343 0.300 . 1 . . . A 15 ASP CB . 36018 1 73 . 1 1 15 15 ASP N N 15 118.604 0.300 . 1 . . . A 15 ASP N . 36018 1 74 . 1 1 16 16 ALA H H 1 7.436 0.030 . 1 . . . A 16 ALA H . 36018 1 75 . 1 1 16 16 ALA HA H 1 4.461 0.030 . 1 . . . A 16 ALA HA . 36018 1 76 . 1 1 16 16 ALA HB1 H 1 1.292 0.030 . 1 . . . A 16 ALA HB1 . 36018 1 77 . 1 1 16 16 ALA HB2 H 1 1.292 0.030 . 1 . . . A 16 ALA HB2 . 36018 1 78 . 1 1 16 16 ALA HB3 H 1 1.292 0.030 . 1 . . . A 16 ALA HB3 . 36018 1 79 . 1 1 16 16 ALA C C 13 175.088 0.300 . 1 . . . A 16 ALA C . 36018 1 80 . 1 1 16 16 ALA CA C 13 51.057 0.300 . 1 . . . A 16 ALA CA . 36018 1 81 . 1 1 16 16 ALA CB C 13 19.416 0.300 . 1 . . . A 16 ALA CB . 36018 1 82 . 1 1 16 16 ALA N N 15 120.481 0.300 . 1 . . . A 16 ALA N . 36018 1 83 . 1 1 17 17 THR H H 1 7.552 0.030 . 1 . . . A 17 THR H . 36018 1 84 . 1 1 17 17 THR HA H 1 5.419 0.030 . 1 . . . A 17 THR HA . 36018 1 85 . 1 1 17 17 THR HB H 1 4.031 0.030 . 1 . . . A 17 THR HB . 36018 1 86 . 1 1 17 17 THR HG21 H 1 1.141 0.030 . 1 . . . A 17 THR HG21 . 36018 1 87 . 1 1 17 17 THR HG22 H 1 1.141 0.030 . 1 . . . A 17 THR HG22 . 36018 1 88 . 1 1 17 17 THR HG23 H 1 1.141 0.030 . 1 . . . A 17 THR HG23 . 36018 1 89 . 1 1 17 17 THR C C 13 174.181 0.300 . 1 . . . A 17 THR C . 36018 1 90 . 1 1 17 17 THR CA C 13 61.805 0.300 . 1 . . . A 17 THR CA . 36018 1 91 . 1 1 17 17 THR CB C 13 69.744 0.300 . 1 . . . A 17 THR CB . 36018 1 92 . 1 1 17 17 THR CG2 C 13 21.870 0.300 . 1 . . . A 17 THR CG2 . 36018 1 93 . 1 1 17 17 THR N N 15 115.559 0.300 . 1 . . . A 17 THR N . 36018 1 94 . 1 1 18 18 VAL H H 1 9.397 0.030 . 1 . . . A 18 VAL H . 36018 1 95 . 1 1 18 18 VAL HA H 1 5.121 0.030 . 1 . . . A 18 VAL HA . 36018 1 96 . 1 1 18 18 VAL HB H 1 2.325 0.030 . 1 . . . A 18 VAL HB . 36018 1 97 . 1 1 18 18 VAL HG11 H 1 0.917 0.030 . 2 . . . A 18 VAL HG11 . 36018 1 98 . 1 1 18 18 VAL HG12 H 1 0.917 0.030 . 2 . . . A 18 VAL HG12 . 36018 1 99 . 1 1 18 18 VAL HG13 H 1 0.917 0.030 . 2 . . . A 18 VAL HG13 . 36018 1 100 . 1 1 18 18 VAL HG21 H 1 0.986 0.030 . 2 . . . A 18 VAL HG21 . 36018 1 101 . 1 1 18 18 VAL HG22 H 1 0.986 0.030 . 2 . . . A 18 VAL HG22 . 36018 1 102 . 1 1 18 18 VAL HG23 H 1 0.986 0.030 . 2 . . . A 18 VAL HG23 . 36018 1 103 . 1 1 18 18 VAL C C 13 174.685 0.300 . 1 . . . A 18 VAL C . 36018 1 104 . 1 1 18 18 VAL CA C 13 59.051 0.300 . 1 . . . A 18 VAL CA . 36018 1 105 . 1 1 18 18 VAL CB C 13 33.015 0.300 . 1 . . . A 18 VAL CB . 36018 1 106 . 1 1 18 18 VAL CG1 C 13 20.212 0.300 . 2 . . . A 18 VAL CG1 . 36018 1 107 . 1 1 18 18 VAL CG2 C 13 22.935 0.300 . 2 . . . A 18 VAL CG2 . 36018 1 108 . 1 1 18 18 VAL N N 15 119.647 0.300 . 1 . . . A 18 VAL N . 36018 1 109 . 1 1 19 19 TYR H H 1 9.199 0.030 . 1 . . . A 19 TYR H . 36018 1 110 . 1 1 19 19 TYR HA H 1 4.617 0.030 . 1 . . . A 19 TYR HA . 36018 1 111 . 1 1 19 19 TYR HB2 H 1 2.659 0.030 . 1 . . . A 19 TYR HB2 . 36018 1 112 . 1 1 19 19 TYR HB3 H 1 2.659 0.030 . 1 . . . A 19 TYR HB3 . 36018 1 113 . 1 1 19 19 TYR HD1 H 1 6.590 0.030 . 1 . . . A 19 TYR HD1 . 36018 1 114 . 1 1 19 19 TYR HD2 H 1 6.590 0.030 . 1 . . . A 19 TYR HD2 . 36018 1 115 . 1 1 19 19 TYR HE1 H 1 6.183 0.030 . 1 . . . A 19 TYR HE1 . 36018 1 116 . 1 1 19 19 TYR HE2 H 1 6.183 0.030 . 1 . . . A 19 TYR HE2 . 36018 1 117 . 1 1 19 19 TYR C C 13 173.121 0.300 . 1 . . . A 19 TYR C . 36018 1 118 . 1 1 19 19 TYR CA C 13 56.898 0.300 . 1 . . . A 19 TYR CA . 36018 1 119 . 1 1 19 19 TYR CB C 13 40.855 0.300 . 1 . . . A 19 TYR CB . 36018 1 120 . 1 1 19 19 TYR CD1 C 13 133.025 0.300 . 1 . . . A 19 TYR CD1 . 36018 1 121 . 1 1 19 19 TYR CD2 C 13 133.025 0.300 . 1 . . . A 19 TYR CD2 . 36018 1 122 . 1 1 19 19 TYR CE1 C 13 117.524 0.300 . 1 . . . A 19 TYR CE1 . 36018 1 123 . 1 1 19 19 TYR CE2 C 13 117.524 0.300 . 1 . . . A 19 TYR CE2 . 36018 1 124 . 1 1 19 19 TYR N N 15 125.447 0.300 . 1 . . . A 19 TYR N . 36018 1 125 . 1 1 20 20 VAL H H 1 8.215 0.030 . 1 . . . A 20 VAL H . 36018 1 126 . 1 1 20 20 VAL HA H 1 4.936 0.030 . 1 . . . A 20 VAL HA . 36018 1 127 . 1 1 20 20 VAL HB H 1 1.472 0.030 . 1 . . . A 20 VAL HB . 36018 1 128 . 1 1 20 20 VAL HG11 H 1 0.518 0.030 . 2 . . . A 20 VAL HG11 . 36018 1 129 . 1 1 20 20 VAL HG12 H 1 0.518 0.030 . 2 . . . A 20 VAL HG12 . 36018 1 130 . 1 1 20 20 VAL HG13 H 1 0.518 0.030 . 2 . . . A 20 VAL HG13 . 36018 1 131 . 1 1 20 20 VAL HG21 H 1 0.830 0.030 . 2 . . . A 20 VAL HG21 . 36018 1 132 . 1 1 20 20 VAL HG22 H 1 0.830 0.030 . 2 . . . A 20 VAL HG22 . 36018 1 133 . 1 1 20 20 VAL HG23 H 1 0.830 0.030 . 2 . . . A 20 VAL HG23 . 36018 1 134 . 1 1 20 20 VAL C C 13 174.061 0.300 . 1 . . . A 20 VAL C . 36018 1 135 . 1 1 20 20 VAL CA C 13 59.491 0.300 . 1 . . . A 20 VAL CA . 36018 1 136 . 1 1 20 20 VAL CB C 13 33.313 0.300 . 1 . . . A 20 VAL CB . 36018 1 137 . 1 1 20 20 VAL CG1 C 13 22.133 0.300 . 2 . . . A 20 VAL CG1 . 36018 1 138 . 1 1 20 20 VAL CG2 C 13 23.091 0.300 . 2 . . . A 20 VAL CG2 . 36018 1 139 . 1 1 20 20 VAL N N 15 127.236 0.300 . 1 . . . A 20 VAL N . 36018 1 140 . 1 1 21 21 GLY H H 1 9.279 0.030 . 1 . . . A 21 GLY H . 36018 1 141 . 1 1 21 21 GLY HA2 H 1 4.803 0.030 . 2 . . . A 21 GLY HA2 . 36018 1 142 . 1 1 21 21 GLY HA3 H 1 3.724 0.030 . 2 . . . A 21 GLY HA3 . 36018 1 143 . 1 1 21 21 GLY C C 13 173.940 0.300 . 1 . . . A 21 GLY C . 36018 1 144 . 1 1 21 21 GLY CA C 13 43.033 0.300 . 1 . . . A 21 GLY CA . 36018 1 145 . 1 1 21 21 GLY N N 15 112.410 0.300 . 1 . . . A 21 GLY N . 36018 1 146 . 1 1 22 22 GLY H H 1 8.230 0.030 . 1 . . . A 22 GLY H . 36018 1 147 . 1 1 22 22 GLY HA2 H 1 3.786 0.030 . 2 . . . A 22 GLY HA2 . 36018 1 148 . 1 1 22 22 GLY HA3 H 1 4.274 0.030 . 2 . . . A 22 GLY HA3 . 36018 1 149 . 1 1 22 22 GLY C C 13 175.677 0.300 . 1 . . . A 22 GLY C . 36018 1 150 . 1 1 22 22 GLY CA C 13 46.146 0.300 . 1 . . . A 22 GLY CA . 36018 1 151 . 1 1 22 22 GLY N N 15 106.835 0.300 . 1 . . . A 22 GLY N . 36018 1 152 . 1 1 23 23 LEU H H 1 8.052 0.030 . 1 . . . A 23 LEU H . 36018 1 153 . 1 1 23 23 LEU HA H 1 4.095 0.030 . 1 . . . A 23 LEU HA . 36018 1 154 . 1 1 23 23 LEU HB2 H 1 0.800 0.030 . 2 . . . A 23 LEU HB2 . 36018 1 155 . 1 1 23 23 LEU HB3 H 1 1.232 0.030 . 2 . . . A 23 LEU HB3 . 36018 1 156 . 1 1 23 23 LEU HG H 1 1.296 0.030 . 1 . . . A 23 LEU HG . 36018 1 157 . 1 1 23 23 LEU HD11 H 1 0.670 0.030 . 2 . . . A 23 LEU HD11 . 36018 1 158 . 1 1 23 23 LEU HD12 H 1 0.670 0.030 . 2 . . . A 23 LEU HD12 . 36018 1 159 . 1 1 23 23 LEU HD13 H 1 0.670 0.030 . 2 . . . A 23 LEU HD13 . 36018 1 160 . 1 1 23 23 LEU HD21 H 1 0.327 0.030 . 2 . . . A 23 LEU HD21 . 36018 1 161 . 1 1 23 23 LEU HD22 H 1 0.327 0.030 . 2 . . . A 23 LEU HD22 . 36018 1 162 . 1 1 23 23 LEU HD23 H 1 0.327 0.030 . 2 . . . A 23 LEU HD23 . 36018 1 163 . 1 1 23 23 LEU C C 13 176.609 0.300 . 1 . . . A 23 LEU C . 36018 1 164 . 1 1 23 23 LEU CA C 13 53.820 0.300 . 1 . . . A 23 LEU CA . 36018 1 165 . 1 1 23 23 LEU CB C 13 41.799 0.300 . 1 . . . A 23 LEU CB . 36018 1 166 . 1 1 23 23 LEU CG C 13 26.107 0.300 . 1 . . . A 23 LEU CG . 36018 1 167 . 1 1 23 23 LEU CD1 C 13 22.809 0.300 . 2 . . . A 23 LEU CD1 . 36018 1 168 . 1 1 23 23 LEU CD2 C 13 26.120 0.300 . 2 . . . A 23 LEU CD2 . 36018 1 169 . 1 1 23 23 LEU N N 15 117.119 0.300 . 1 . . . A 23 LEU N . 36018 1 170 . 1 1 24 24 ASP H H 1 8.681 0.030 . 1 . . . A 24 ASP H . 36018 1 171 . 1 1 24 24 ASP HA H 1 4.344 0.030 . 1 . . . A 24 ASP HA . 36018 1 172 . 1 1 24 24 ASP HB2 H 1 2.840 0.030 . 2 . . . A 24 ASP HB2 . 36018 1 173 . 1 1 24 24 ASP HB3 H 1 2.349 0.030 . 2 . . . A 24 ASP HB3 . 36018 1 174 . 1 1 24 24 ASP C C 13 175.768 0.300 . 1 . . . A 24 ASP C . 36018 1 175 . 1 1 24 24 ASP CA C 13 54.859 0.300 . 1 . . . A 24 ASP CA . 36018 1 176 . 1 1 24 24 ASP CB C 13 45.566 0.300 . 1 . . . A 24 ASP CB . 36018 1 177 . 1 1 24 24 ASP N N 15 124.934 0.300 . 1 . . . A 24 ASP N . 36018 1 178 . 1 1 25 25 GLU H H 1 8.757 0.030 . 1 . . . A 25 GLU H . 36018 1 179 . 1 1 25 25 GLU HA H 1 3.809 0.030 . 1 . . . A 25 GLU HA . 36018 1 180 . 1 1 25 25 GLU HB2 H 1 1.864 0.030 . 2 . . . A 25 GLU HB2 . 36018 1 181 . 1 1 25 25 GLU HB3 H 1 1.951 0.030 . 2 . . . A 25 GLU HB3 . 36018 1 182 . 1 1 25 25 GLU HG2 H 1 2.101 0.030 . 2 . . . A 25 GLU HG2 . 36018 1 183 . 1 1 25 25 GLU HG3 H 1 2.187 0.030 . 2 . . . A 25 GLU HG3 . 36018 1 184 . 1 1 25 25 GLU C C 13 176.795 0.300 . 1 . . . A 25 GLU C . 36018 1 185 . 1 1 25 25 GLU CA C 13 59.434 0.300 . 1 . . . A 25 GLU CA . 36018 1 186 . 1 1 25 25 GLU CB C 13 29.427 0.300 . 1 . . . A 25 GLU CB . 36018 1 187 . 1 1 25 25 GLU CG C 13 35.623 0.300 . 1 . . . A 25 GLU CG . 36018 1 188 . 1 1 25 25 GLU N N 15 125.300 0.300 . 1 . . . A 25 GLU N . 36018 1 189 . 1 1 26 26 LYS H H 1 8.975 0.030 . 1 . . . A 26 LYS H . 36018 1 190 . 1 1 26 26 LYS HA H 1 3.960 0.030 . 1 . . . A 26 LYS HA . 36018 1 191 . 1 1 26 26 LYS HB2 H 1 1.295 0.030 . 2 . . . A 26 LYS HB2 . 36018 1 192 . 1 1 26 26 LYS HB3 H 1 0.877 0.030 . 2 . . . A 26 LYS HB3 . 36018 1 193 . 1 1 26 26 LYS HG2 H 1 1.261 0.030 . 1 . . . A 26 LYS HG2 . 36018 1 194 . 1 1 26 26 LYS HG3 H 1 1.261 0.030 . 1 . . . A 26 LYS HG3 . 36018 1 195 . 1 1 26 26 LYS HD2 H 1 1.316 0.030 . 2 . . . A 26 LYS HD2 . 36018 1 196 . 1 1 26 26 LYS HD3 H 1 1.527 0.030 . 2 . . . A 26 LYS HD3 . 36018 1 197 . 1 1 26 26 LYS HE2 H 1 2.809 0.030 . 2 . . . A 26 LYS HE2 . 36018 1 198 . 1 1 26 26 LYS HE3 H 1 2.535 0.030 . 2 . . . A 26 LYS HE3 . 36018 1 199 . 1 1 26 26 LYS C C 13 177.839 0.300 . 1 . . . A 26 LYS C . 36018 1 200 . 1 1 26 26 LYS CA C 13 57.815 0.300 . 1 . . . A 26 LYS CA . 36018 1 201 . 1 1 26 26 LYS CB C 13 31.095 0.300 . 1 . . . A 26 LYS CB . 36018 1 202 . 1 1 26 26 LYS CG C 13 25.153 0.300 . 1 . . . A 26 LYS CG . 36018 1 203 . 1 1 26 26 LYS CD C 13 28.551 0.300 . 1 . . . A 26 LYS CD . 36018 1 204 . 1 1 26 26 LYS CE C 13 40.769 0.300 . 1 . . . A 26 LYS CE . 36018 1 205 . 1 1 26 26 LYS N N 15 117.756 0.300 . 1 . . . A 26 LYS N . 36018 1 206 . 1 1 27 27 VAL H H 1 7.993 0.030 . 1 . . . A 27 VAL H . 36018 1 207 . 1 1 27 27 VAL HA H 1 3.648 0.030 . 1 . . . A 27 VAL HA . 36018 1 208 . 1 1 27 27 VAL HB H 1 2.041 0.030 . 1 . . . A 27 VAL HB . 36018 1 209 . 1 1 27 27 VAL HG11 H 1 0.908 0.030 . 2 . . . A 27 VAL HG11 . 36018 1 210 . 1 1 27 27 VAL HG12 H 1 0.908 0.030 . 2 . . . A 27 VAL HG12 . 36018 1 211 . 1 1 27 27 VAL HG13 H 1 0.908 0.030 . 2 . . . A 27 VAL HG13 . 36018 1 212 . 1 1 27 27 VAL HG21 H 1 1.164 0.030 . 2 . . . A 27 VAL HG21 . 36018 1 213 . 1 1 27 27 VAL HG22 H 1 1.164 0.030 . 2 . . . A 27 VAL HG22 . 36018 1 214 . 1 1 27 27 VAL HG23 H 1 1.164 0.030 . 2 . . . A 27 VAL HG23 . 36018 1 215 . 1 1 27 27 VAL C C 13 172.945 0.300 . 1 . . . A 27 VAL C . 36018 1 216 . 1 1 27 27 VAL CA C 13 65.279 0.300 . 1 . . . A 27 VAL CA . 36018 1 217 . 1 1 27 27 VAL CB C 13 31.268 0.300 . 1 . . . A 27 VAL CB . 36018 1 218 . 1 1 27 27 VAL CG1 C 13 22.523 0.300 . 2 . . . A 27 VAL CG1 . 36018 1 219 . 1 1 27 27 VAL CG2 C 13 24.503 0.300 . 2 . . . A 27 VAL CG2 . 36018 1 220 . 1 1 27 27 VAL N N 15 119.947 0.300 . 1 . . . A 27 VAL N . 36018 1 221 . 1 1 28 28 SER H H 1 6.811 0.030 . 1 . . . A 28 SER H . 36018 1 222 . 1 1 28 28 SER HA H 1 4.874 0.030 . 1 . . . A 28 SER HA . 36018 1 223 . 1 1 28 28 SER HB2 H 1 3.942 0.030 . 2 . . . A 28 SER HB2 . 36018 1 224 . 1 1 28 28 SER HB3 H 1 4.193 0.030 . 2 . . . A 28 SER HB3 . 36018 1 225 . 1 1 28 28 SER C C 13 173.968 0.300 . 1 . . . A 28 SER C . 36018 1 226 . 1 1 28 28 SER CA C 13 55.679 0.300 . 1 . . . A 28 SER CA . 36018 1 227 . 1 1 28 28 SER CB C 13 67.152 0.300 . 1 . . . A 28 SER CB . 36018 1 228 . 1 1 28 28 SER N N 15 118.923 0.300 . 1 . . . A 28 SER N . 36018 1 229 . 1 1 29 29 GLU H H 1 9.397 0.030 . 1 . . . A 29 GLU H . 36018 1 230 . 1 1 29 29 GLU HA H 1 3.902 0.030 . 1 . . . A 29 GLU HA . 36018 1 231 . 1 1 29 29 GLU HB2 H 1 2.143 0.030 . 2 . . . A 29 GLU HB2 . 36018 1 232 . 1 1 29 29 GLU HB3 H 1 2.270 0.030 . 2 . . . A 29 GLU HB3 . 36018 1 233 . 1 1 29 29 GLU HG2 H 1 2.159 0.030 . 2 . . . A 29 GLU HG2 . 36018 1 234 . 1 1 29 29 GLU HG3 H 1 2.325 0.030 . 2 . . . A 29 GLU HG3 . 36018 1 235 . 1 1 29 29 GLU C C 13 176.540 0.300 . 1 . . . A 29 GLU C . 36018 1 236 . 1 1 29 29 GLU CA C 13 62.259 0.300 . 1 . . . A 29 GLU CA . 36018 1 237 . 1 1 29 29 GLU CB C 13 27.175 0.300 . 1 . . . A 29 GLU CB . 36018 1 238 . 1 1 29 29 GLU CG C 13 38.314 0.300 . 1 . . . A 29 GLU CG . 36018 1 239 . 1 1 29 29 GLU N N 15 121.096 0.300 . 1 . . . A 29 GLU N . 36018 1 240 . 1 1 30 30 PRO HA H 1 4.419 0.030 . 1 . . . A 30 PRO HA . 36018 1 241 . 1 1 30 30 PRO HB2 H 1 1.787 0.030 . 2 . . . A 30 PRO HB2 . 36018 1 242 . 1 1 30 30 PRO HB3 H 1 2.321 0.030 . 2 . . . A 30 PRO HB3 . 36018 1 243 . 1 1 30 30 PRO HG2 H 1 1.936 0.030 . 2 . . . A 30 PRO HG2 . 36018 1 244 . 1 1 30 30 PRO HG3 H 1 2.109 0.030 . 2 . . . A 30 PRO HG3 . 36018 1 245 . 1 1 30 30 PRO HD2 H 1 3.897 0.030 . 2 . . . A 30 PRO HD2 . 36018 1 246 . 1 1 30 30 PRO HD3 H 1 3.852 0.030 . 2 . . . A 30 PRO HD3 . 36018 1 247 . 1 1 30 30 PRO C C 13 179.233 0.300 . 1 . . . A 30 PRO C . 36018 1 248 . 1 1 30 30 PRO CA C 13 66.086 0.300 . 1 . . . A 30 PRO CA . 36018 1 249 . 1 1 30 30 PRO CB C 13 31.200 0.300 . 1 . . . A 30 PRO CB . 36018 1 250 . 1 1 30 30 PRO CG C 13 28.349 0.300 . 1 . . . A 30 PRO CG . 36018 1 251 . 1 1 30 30 PRO CD C 13 50.245 0.300 . 1 . . . A 30 PRO CD . 36018 1 252 . 1 1 31 31 LEU H H 1 7.206 0.030 . 1 . . . A 31 LEU H . 36018 1 253 . 1 1 31 31 LEU HA H 1 4.341 0.030 . 1 . . . A 31 LEU HA . 36018 1 254 . 1 1 31 31 LEU HB2 H 1 1.841 0.030 . 2 . . . A 31 LEU HB2 . 36018 1 255 . 1 1 31 31 LEU HB3 H 1 1.924 0.030 . 2 . . . A 31 LEU HB3 . 36018 1 256 . 1 1 31 31 LEU HG H 1 1.759 0.030 . 1 . . . A 31 LEU HG . 36018 1 257 . 1 1 31 31 LEU HD11 H 1 1.084 0.030 . 2 . . . A 31 LEU HD11 . 36018 1 258 . 1 1 31 31 LEU HD12 H 1 1.084 0.030 . 2 . . . A 31 LEU HD12 . 36018 1 259 . 1 1 31 31 LEU HD13 H 1 1.084 0.030 . 2 . . . A 31 LEU HD13 . 36018 1 260 . 1 1 31 31 LEU HD21 H 1 1.162 0.030 . 2 . . . A 31 LEU HD21 . 36018 1 261 . 1 1 31 31 LEU HD22 H 1 1.162 0.030 . 2 . . . A 31 LEU HD22 . 36018 1 262 . 1 1 31 31 LEU HD23 H 1 1.162 0.030 . 2 . . . A 31 LEU HD23 . 36018 1 263 . 1 1 31 31 LEU C C 13 178.652 0.300 . 1 . . . A 31 LEU C . 36018 1 264 . 1 1 31 31 LEU CA C 13 57.935 0.300 . 1 . . . A 31 LEU CA . 36018 1 265 . 1 1 31 31 LEU CB C 13 42.324 0.300 . 1 . . . A 31 LEU CB . 36018 1 266 . 1 1 31 31 LEU CG C 13 27.358 0.300 . 1 . . . A 31 LEU CG . 36018 1 267 . 1 1 31 31 LEU CD1 C 13 24.117 0.300 . 2 . . . A 31 LEU CD1 . 36018 1 268 . 1 1 31 31 LEU CD2 C 13 26.718 0.300 . 2 . . . A 31 LEU CD2 . 36018 1 269 . 1 1 31 31 LEU N N 15 119.455 0.300 . 1 . . . A 31 LEU N . 36018 1 270 . 1 1 32 32 LEU H H 1 8.004 0.030 . 1 . . . A 32 LEU H . 36018 1 271 . 1 1 32 32 LEU HA H 1 4.026 0.030 . 1 . . . A 32 LEU HA . 36018 1 272 . 1 1 32 32 LEU HB2 H 1 1.526 0.030 . 2 . . . A 32 LEU HB2 . 36018 1 273 . 1 1 32 32 LEU HB3 H 1 1.664 0.030 . 2 . . . A 32 LEU HB3 . 36018 1 274 . 1 1 32 32 LEU HG H 1 1.529 0.030 . 1 . . . A 32 LEU HG . 36018 1 275 . 1 1 32 32 LEU HD11 H 1 0.528 0.030 . 2 . . . A 32 LEU HD11 . 36018 1 276 . 1 1 32 32 LEU HD12 H 1 0.528 0.030 . 2 . . . A 32 LEU HD12 . 36018 1 277 . 1 1 32 32 LEU HD13 H 1 0.528 0.030 . 2 . . . A 32 LEU HD13 . 36018 1 278 . 1 1 32 32 LEU HD21 H 1 0.587 0.030 . 2 . . . A 32 LEU HD21 . 36018 1 279 . 1 1 32 32 LEU HD22 H 1 0.587 0.030 . 2 . . . A 32 LEU HD22 . 36018 1 280 . 1 1 32 32 LEU HD23 H 1 0.587 0.030 . 2 . . . A 32 LEU HD23 . 36018 1 281 . 1 1 32 32 LEU C C 13 178.078 0.300 . 1 . . . A 32 LEU C . 36018 1 282 . 1 1 32 32 LEU CA C 13 58.157 0.300 . 1 . . . A 32 LEU CA . 36018 1 283 . 1 1 32 32 LEU CB C 13 42.532 0.300 . 1 . . . A 32 LEU CB . 36018 1 284 . 1 1 32 32 LEU CG C 13 26.233 0.300 . 1 . . . A 32 LEU CG . 36018 1 285 . 1 1 32 32 LEU CD1 C 13 23.611 0.300 . 2 . . . A 32 LEU CD1 . 36018 1 286 . 1 1 32 32 LEU CD2 C 13 25.080 0.300 . 2 . . . A 32 LEU CD2 . 36018 1 287 . 1 1 32 32 LEU N N 15 118.688 0.300 . 1 . . . A 32 LEU N . 36018 1 288 . 1 1 33 33 TRP H H 1 8.212 0.030 . 1 . . . A 33 TRP H . 36018 1 289 . 1 1 33 33 TRP HA H 1 3.772 0.030 . 1 . . . A 33 TRP HA . 36018 1 290 . 1 1 33 33 TRP HB2 H 1 3.273 0.030 . 2 . . . A 33 TRP HB2 . 36018 1 291 . 1 1 33 33 TRP HB3 H 1 3.422 0.030 . 2 . . . A 33 TRP HB3 . 36018 1 292 . 1 1 33 33 TRP HD1 H 1 7.029 0.030 . 1 . . . A 33 TRP HD1 . 36018 1 293 . 1 1 33 33 TRP HE1 H 1 10.167 0.030 . 1 . . . A 33 TRP HE1 . 36018 1 294 . 1 1 33 33 TRP HE3 H 1 7.521 0.030 . 1 . . . A 33 TRP HE3 . 36018 1 295 . 1 1 33 33 TRP HZ2 H 1 7.354 0.030 . 1 . . . A 33 TRP HZ2 . 36018 1 296 . 1 1 33 33 TRP HZ3 H 1 7.142 0.030 . 1 . . . A 33 TRP HZ3 . 36018 1 297 . 1 1 33 33 TRP HH2 H 1 7.058 0.030 . 1 . . . A 33 TRP HH2 . 36018 1 298 . 1 1 33 33 TRP C C 13 176.992 0.300 . 1 . . . A 33 TRP C . 36018 1 299 . 1 1 33 33 TRP CA C 13 61.029 0.300 . 1 . . . A 33 TRP CA . 36018 1 300 . 1 1 33 33 TRP CB C 13 28.312 0.300 . 1 . . . A 33 TRP CB . 36018 1 301 . 1 1 33 33 TRP CD1 C 13 125.765 0.300 . 1 . . . A 33 TRP CD1 . 36018 1 302 . 1 1 33 33 TRP CE3 C 13 120.411 0.300 . 1 . . . A 33 TRP CE3 . 36018 1 303 . 1 1 33 33 TRP CZ2 C 13 114.602 0.300 . 1 . . . A 33 TRP CZ2 . 36018 1 304 . 1 1 33 33 TRP CZ3 C 13 121.770 0.300 . 1 . . . A 33 TRP CZ3 . 36018 1 305 . 1 1 33 33 TRP CH2 C 13 124.694 0.300 . 1 . . . A 33 TRP CH2 . 36018 1 306 . 1 1 33 33 TRP N N 15 118.806 0.300 . 1 . . . A 33 TRP N . 36018 1 307 . 1 1 33 33 TRP NE1 N 15 130.147 0.300 . 1 . . . A 33 TRP NE1 . 36018 1 308 . 1 1 34 34 GLU H H 1 7.935 0.030 . 1 . . . A 34 GLU H . 36018 1 309 . 1 1 34 34 GLU HA H 1 4.017 0.030 . 1 . . . A 34 GLU HA . 36018 1 310 . 1 1 34 34 GLU HB2 H 1 2.218 0.030 . 1 . . . A 34 GLU HB2 . 36018 1 311 . 1 1 34 34 GLU HB3 H 1 2.218 0.030 . 1 . . . A 34 GLU HB3 . 36018 1 312 . 1 1 34 34 GLU HG2 H 1 2.402 0.030 . 2 . . . A 34 GLU HG2 . 36018 1 313 . 1 1 34 34 GLU HG3 H 1 2.287 0.030 . 2 . . . A 34 GLU HG3 . 36018 1 314 . 1 1 34 34 GLU C C 13 179.401 0.300 . 1 . . . A 34 GLU C . 36018 1 315 . 1 1 34 34 GLU CA C 13 59.651 0.300 . 1 . . . A 34 GLU CA . 36018 1 316 . 1 1 34 34 GLU CB C 13 30.113 0.300 . 1 . . . A 34 GLU CB . 36018 1 317 . 1 1 34 34 GLU CG C 13 36.338 0.300 . 1 . . . A 34 GLU CG . 36018 1 318 . 1 1 34 34 GLU N N 15 115.995 0.300 . 1 . . . A 34 GLU N . 36018 1 319 . 1 1 35 35 LEU H H 1 8.509 0.030 . 1 . . . A 35 LEU H . 36018 1 320 . 1 1 35 35 LEU HA H 1 4.152 0.030 . 1 . . . A 35 LEU HA . 36018 1 321 . 1 1 35 35 LEU HB2 H 1 1.703 0.030 . 2 . . . A 35 LEU HB2 . 36018 1 322 . 1 1 35 35 LEU HB3 H 1 1.745 0.030 . 2 . . . A 35 LEU HB3 . 36018 1 323 . 1 1 35 35 LEU HG H 1 1.372 0.030 . 1 . . . A 35 LEU HG . 36018 1 324 . 1 1 35 35 LEU HD11 H 1 0.787 0.030 . 2 . . . A 35 LEU HD11 . 36018 1 325 . 1 1 35 35 LEU HD12 H 1 0.787 0.030 . 2 . . . A 35 LEU HD12 . 36018 1 326 . 1 1 35 35 LEU HD13 H 1 0.787 0.030 . 2 . . . A 35 LEU HD13 . 36018 1 327 . 1 1 35 35 LEU HD21 H 1 0.757 0.030 . 2 . . . A 35 LEU HD21 . 36018 1 328 . 1 1 35 35 LEU HD22 H 1 0.757 0.030 . 2 . . . A 35 LEU HD22 . 36018 1 329 . 1 1 35 35 LEU HD23 H 1 0.757 0.030 . 2 . . . A 35 LEU HD23 . 36018 1 330 . 1 1 35 35 LEU C C 13 179.125 0.300 . 1 . . . A 35 LEU C . 36018 1 331 . 1 1 35 35 LEU CA C 13 57.643 0.300 . 1 . . . A 35 LEU CA . 36018 1 332 . 1 1 35 35 LEU CB C 13 42.970 0.300 . 1 . . . A 35 LEU CB . 36018 1 333 . 1 1 35 35 LEU CG C 13 26.650 0.300 . 1 . . . A 35 LEU CG . 36018 1 334 . 1 1 35 35 LEU CD1 C 13 24.307 0.300 . 2 . . . A 35 LEU CD1 . 36018 1 335 . 1 1 35 35 LEU CD2 C 13 25.411 0.300 . 2 . . . A 35 LEU CD2 . 36018 1 336 . 1 1 35 35 LEU N N 15 118.386 0.300 . 1 . . . A 35 LEU N . 36018 1 337 . 1 1 36 36 PHE H H 1 8.412 0.030 . 1 . . . A 36 PHE H . 36018 1 338 . 1 1 36 36 PHE HA H 1 4.067 0.030 . 1 . . . A 36 PHE HA . 36018 1 339 . 1 1 36 36 PHE HB2 H 1 3.053 0.030 . 2 . . . A 36 PHE HB2 . 36018 1 340 . 1 1 36 36 PHE HB3 H 1 3.129 0.030 . 2 . . . A 36 PHE HB3 . 36018 1 341 . 1 1 36 36 PHE HD1 H 1 7.673 0.030 . 1 . . . A 36 PHE HD1 . 36018 1 342 . 1 1 36 36 PHE HD2 H 1 7.673 0.030 . 1 . . . A 36 PHE HD2 . 36018 1 343 . 1 1 36 36 PHE HE1 H 1 7.020 0.030 . 1 . . . A 36 PHE HE1 . 36018 1 344 . 1 1 36 36 PHE HE2 H 1 7.020 0.030 . 1 . . . A 36 PHE HE2 . 36018 1 345 . 1 1 36 36 PHE HZ H 1 7.009 0.030 . 1 . . . A 36 PHE HZ . 36018 1 346 . 1 1 36 36 PHE C C 13 177.045 0.300 . 1 . . . A 36 PHE C . 36018 1 347 . 1 1 36 36 PHE CA C 13 62.462 0.300 . 1 . . . A 36 PHE CA . 36018 1 348 . 1 1 36 36 PHE CB C 13 37.980 0.300 . 1 . . . A 36 PHE CB . 36018 1 349 . 1 1 36 36 PHE CD1 C 13 131.483 0.300 . 1 . . . A 36 PHE CD1 . 36018 1 350 . 1 1 36 36 PHE CD2 C 13 131.483 0.300 . 1 . . . A 36 PHE CD2 . 36018 1 351 . 1 1 36 36 PHE CE1 C 13 130.437 0.300 . 1 . . . A 36 PHE CE1 . 36018 1 352 . 1 1 36 36 PHE CE2 C 13 130.437 0.300 . 1 . . . A 36 PHE CE2 . 36018 1 353 . 1 1 36 36 PHE CZ C 13 129.789 0.300 . 1 . . . A 36 PHE CZ . 36018 1 354 . 1 1 36 36 PHE N N 15 115.564 0.300 . 1 . . . A 36 PHE N . 36018 1 355 . 1 1 37 37 LEU H H 1 7.989 0.030 . 1 . . . A 37 LEU H . 36018 1 356 . 1 1 37 37 LEU HA H 1 4.925 0.030 . 1 . . . A 37 LEU HA . 36018 1 357 . 1 1 37 37 LEU HB2 H 1 1.579 0.030 . 2 . . . A 37 LEU HB2 . 36018 1 358 . 1 1 37 37 LEU HB3 H 1 2.028 0.030 . 2 . . . A 37 LEU HB3 . 36018 1 359 . 1 1 37 37 LEU HG H 1 2.121 0.030 . 1 . . . A 37 LEU HG . 36018 1 360 . 1 1 37 37 LEU HD11 H 1 1.196 0.030 . 2 . . . A 37 LEU HD11 . 36018 1 361 . 1 1 37 37 LEU HD12 H 1 1.196 0.030 . 2 . . . A 37 LEU HD12 . 36018 1 362 . 1 1 37 37 LEU HD13 H 1 1.196 0.030 . 2 . . . A 37 LEU HD13 . 36018 1 363 . 1 1 37 37 LEU HD21 H 1 1.102 0.030 . 2 . . . A 37 LEU HD21 . 36018 1 364 . 1 1 37 37 LEU HD22 H 1 1.102 0.030 . 2 . . . A 37 LEU HD22 . 36018 1 365 . 1 1 37 37 LEU HD23 H 1 1.102 0.030 . 2 . . . A 37 LEU HD23 . 36018 1 366 . 1 1 37 37 LEU C C 13 179.148 0.300 . 1 . . . A 37 LEU C . 36018 1 367 . 1 1 37 37 LEU CA C 13 56.739 0.300 . 1 . . . A 37 LEU CA . 36018 1 368 . 1 1 37 37 LEU CB C 13 42.441 0.300 . 1 . . . A 37 LEU CB . 36018 1 369 . 1 1 37 37 LEU CG C 13 26.937 0.300 . 1 . . . A 37 LEU CG . 36018 1 370 . 1 1 37 37 LEU CD1 C 13 24.338 0.300 . 2 . . . A 37 LEU CD1 . 36018 1 371 . 1 1 37 37 LEU CD2 C 13 25.823 0.300 . 2 . . . A 37 LEU CD2 . 36018 1 372 . 1 1 37 37 LEU N N 15 122.305 0.300 . 1 . . . A 37 LEU N . 36018 1 373 . 1 1 38 38 GLN H H 1 7.431 0.030 . 1 . . . A 38 GLN H . 36018 1 374 . 1 1 38 38 GLN HA H 1 4.105 0.030 . 1 . . . A 38 GLN HA . 36018 1 375 . 1 1 38 38 GLN HB2 H 1 2.051 0.030 . 2 . . . A 38 GLN HB2 . 36018 1 376 . 1 1 38 38 GLN HB3 H 1 2.083 0.030 . 2 . . . A 38 GLN HB3 . 36018 1 377 . 1 1 38 38 GLN HG2 H 1 2.420 0.030 . 1 . . . A 38 GLN HG2 . 36018 1 378 . 1 1 38 38 GLN HG3 H 1 2.420 0.030 . 1 . . . A 38 GLN HG3 . 36018 1 379 . 1 1 38 38 GLN HE21 H 1 7.591 0.030 . 2 . . . A 38 GLN HE21 . 36018 1 380 . 1 1 38 38 GLN HE22 H 1 6.843 0.030 . 2 . . . A 38 GLN HE22 . 36018 1 381 . 1 1 38 38 GLN C C 13 176.946 0.300 . 1 . . . A 38 GLN C . 36018 1 382 . 1 1 38 38 GLN CA C 13 57.983 0.300 . 1 . . . A 38 GLN CA . 36018 1 383 . 1 1 38 38 GLN CB C 13 29.284 0.300 . 1 . . . A 38 GLN CB . 36018 1 384 . 1 1 38 38 GLN CG C 13 34.486 0.300 . 1 . . . A 38 GLN CG . 36018 1 385 . 1 1 38 38 GLN N N 15 115.042 0.300 . 1 . . . A 38 GLN N . 36018 1 386 . 1 1 38 38 GLN NE2 N 15 111.310 0.300 . 1 . . . A 38 GLN NE2 . 36018 1 387 . 1 1 39 39 ALA H H 1 8.111 0.030 . 1 . . . A 39 ALA H . 36018 1 388 . 1 1 39 39 ALA HA H 1 4.546 0.030 . 1 . . . A 39 ALA HA . 36018 1 389 . 1 1 39 39 ALA HB1 H 1 1.448 0.030 . 1 . . . A 39 ALA HB1 . 36018 1 390 . 1 1 39 39 ALA HB2 H 1 1.448 0.030 . 1 . . . A 39 ALA HB2 . 36018 1 391 . 1 1 39 39 ALA HB3 H 1 1.448 0.030 . 1 . . . A 39 ALA HB3 . 36018 1 392 . 1 1 39 39 ALA C C 13 175.508 0.300 . 1 . . . A 39 ALA C . 36018 1 393 . 1 1 39 39 ALA CA C 13 52.382 0.300 . 1 . . . A 39 ALA CA . 36018 1 394 . 1 1 39 39 ALA CB C 13 19.791 0.300 . 1 . . . A 39 ALA CB . 36018 1 395 . 1 1 39 39 ALA N N 15 119.891 0.300 . 1 . . . A 39 ALA N . 36018 1 396 . 1 1 40 40 GLY H H 1 7.595 0.030 . 1 . . . A 40 GLY H . 36018 1 397 . 1 1 40 40 GLY HA2 H 1 3.959 0.030 . 2 . . . A 40 GLY HA2 . 36018 1 398 . 1 1 40 40 GLY HA3 H 1 4.281 0.030 . 2 . . . A 40 GLY HA3 . 36018 1 399 . 1 1 40 40 GLY C C 13 178.389 0.300 . 1 . . . A 40 GLY C . 36018 1 400 . 1 1 40 40 GLY CA C 13 45.019 0.300 . 1 . . . A 40 GLY CA . 36018 1 401 . 1 1 40 40 GLY N N 15 105.338 0.300 . 1 . . . A 40 GLY N . 36018 1 402 . 1 1 41 41 PRO HA H 1 4.343 0.030 . 1 . . . A 41 PRO HA . 36018 1 403 . 1 1 41 41 PRO HB2 H 1 2.032 0.030 . 2 . . . A 41 PRO HB2 . 36018 1 404 . 1 1 41 41 PRO HB3 H 1 2.244 0.030 . 2 . . . A 41 PRO HB3 . 36018 1 405 . 1 1 41 41 PRO HG2 H 1 2.058 0.030 . 2 . . . A 41 PRO HG2 . 36018 1 406 . 1 1 41 41 PRO HG3 H 1 2.298 0.030 . 2 . . . A 41 PRO HG3 . 36018 1 407 . 1 1 41 41 PRO HD2 H 1 3.583 0.030 . 2 . . . A 41 PRO HD2 . 36018 1 408 . 1 1 41 41 PRO HD3 H 1 3.745 0.030 . 2 . . . A 41 PRO HD3 . 36018 1 409 . 1 1 41 41 PRO C C 13 175.576 0.300 . 1 . . . A 41 PRO C . 36018 1 410 . 1 1 41 41 PRO CA C 13 63.748 0.300 . 1 . . . A 41 PRO CA . 36018 1 411 . 1 1 41 41 PRO CB C 13 31.340 0.300 . 1 . . . A 41 PRO CB . 36018 1 412 . 1 1 41 41 PRO CG C 13 28.381 0.300 . 1 . . . A 41 PRO CG . 36018 1 413 . 1 1 41 41 PRO CD C 13 49.359 0.300 . 1 . . . A 41 PRO CD . 36018 1 414 . 1 1 42 42 VAL H H 1 6.752 0.030 . 1 . . . A 42 VAL H . 36018 1 415 . 1 1 42 42 VAL HA H 1 3.480 0.030 . 1 . . . A 42 VAL HA . 36018 1 416 . 1 1 42 42 VAL HB H 1 1.040 0.030 . 1 . . . A 42 VAL HB . 36018 1 417 . 1 1 42 42 VAL HG11 H 1 -0.527 0.030 . 2 . . . A 42 VAL HG11 . 36018 1 418 . 1 1 42 42 VAL HG12 H 1 -0.527 0.030 . 2 . . . A 42 VAL HG12 . 36018 1 419 . 1 1 42 42 VAL HG13 H 1 -0.527 0.030 . 2 . . . A 42 VAL HG13 . 36018 1 420 . 1 1 42 42 VAL HG21 H 1 0.462 0.030 . 2 . . . A 42 VAL HG21 . 36018 1 421 . 1 1 42 42 VAL HG22 H 1 0.462 0.030 . 2 . . . A 42 VAL HG22 . 36018 1 422 . 1 1 42 42 VAL HG23 H 1 0.462 0.030 . 2 . . . A 42 VAL HG23 . 36018 1 423 . 1 1 42 42 VAL C C 13 175.729 0.300 . 1 . . . A 42 VAL C . 36018 1 424 . 1 1 42 42 VAL CA C 13 62.208 0.300 . 1 . . . A 42 VAL CA . 36018 1 425 . 1 1 42 42 VAL CB C 13 34.486 0.300 . 1 . . . A 42 VAL CB . 36018 1 426 . 1 1 42 42 VAL CG1 C 13 21.253 0.300 . 2 . . . A 42 VAL CG1 . 36018 1 427 . 1 1 42 42 VAL CG2 C 13 21.920 0.300 . 2 . . . A 42 VAL CG2 . 36018 1 428 . 1 1 42 42 VAL N N 15 127.296 0.300 . 1 . . . A 42 VAL N . 36018 1 429 . 1 1 43 43 VAL H H 1 8.850 0.030 . 1 . . . A 43 VAL H . 36018 1 430 . 1 1 43 43 VAL HA H 1 4.152 0.030 . 1 . . . A 43 VAL HA . 36018 1 431 . 1 1 43 43 VAL HB H 1 1.691 0.030 . 1 . . . A 43 VAL HB . 36018 1 432 . 1 1 43 43 VAL HG11 H 1 0.645 0.030 . 2 . . . A 43 VAL HG11 . 36018 1 433 . 1 1 43 43 VAL HG12 H 1 0.645 0.030 . 2 . . . A 43 VAL HG12 . 36018 1 434 . 1 1 43 43 VAL HG13 H 1 0.645 0.030 . 2 . . . A 43 VAL HG13 . 36018 1 435 . 1 1 43 43 VAL HG21 H 1 0.773 0.030 . 2 . . . A 43 VAL HG21 . 36018 1 436 . 1 1 43 43 VAL HG22 H 1 0.773 0.030 . 2 . . . A 43 VAL HG22 . 36018 1 437 . 1 1 43 43 VAL HG23 H 1 0.773 0.030 . 2 . . . A 43 VAL HG23 . 36018 1 438 . 1 1 43 43 VAL C C 13 175.245 0.300 . 1 . . . A 43 VAL C . 36018 1 439 . 1 1 43 43 VAL CA C 13 62.184 0.300 . 1 . . . A 43 VAL CA . 36018 1 440 . 1 1 43 43 VAL CB C 13 33.413 0.300 . 1 . . . A 43 VAL CB . 36018 1 441 . 1 1 43 43 VAL CG1 C 13 20.466 0.300 . 2 . . . A 43 VAL CG1 . 36018 1 442 . 1 1 43 43 VAL CG2 C 13 21.020 0.300 . 2 . . . A 43 VAL CG2 . 36018 1 443 . 1 1 43 43 VAL N N 15 121.834 0.300 . 1 . . . A 43 VAL N . 36018 1 444 . 1 1 44 44 ASN H H 1 7.098 0.030 . 1 . . . A 44 ASN H . 36018 1 445 . 1 1 44 44 ASN HA H 1 4.755 0.030 . 1 . . . A 44 ASN HA . 36018 1 446 . 1 1 44 44 ASN HB2 H 1 2.774 0.030 . 2 . . . A 44 ASN HB2 . 36018 1 447 . 1 1 44 44 ASN HB3 H 1 2.436 0.030 . 2 . . . A 44 ASN HB3 . 36018 1 448 . 1 1 44 44 ASN HD21 H 1 6.811 0.030 . 2 . . . A 44 ASN HD21 . 36018 1 449 . 1 1 44 44 ASN HD22 H 1 7.750 0.030 . 2 . . . A 44 ASN HD22 . 36018 1 450 . 1 1 44 44 ASN C C 13 173.394 0.300 . 1 . . . A 44 ASN C . 36018 1 451 . 1 1 44 44 ASN CA C 13 53.773 0.300 . 1 . . . A 44 ASN CA . 36018 1 452 . 1 1 44 44 ASN CB C 13 42.386 0.300 . 1 . . . A 44 ASN CB . 36018 1 453 . 1 1 44 44 ASN N N 15 115.817 0.300 . 1 . . . A 44 ASN N . 36018 1 454 . 1 1 44 44 ASN ND2 N 15 113.301 0.300 . 1 . . . A 44 ASN ND2 . 36018 1 455 . 1 1 45 45 THR H H 1 7.837 0.030 . 1 . . . A 45 THR H . 36018 1 456 . 1 1 45 45 THR HA H 1 4.976 0.030 . 1 . . . A 45 THR HA . 36018 1 457 . 1 1 45 45 THR HB H 1 3.937 0.030 . 1 . . . A 45 THR HB . 36018 1 458 . 1 1 45 45 THR HG21 H 1 0.881 0.030 . 1 . . . A 45 THR HG21 . 36018 1 459 . 1 1 45 45 THR HG22 H 1 0.881 0.030 . 1 . . . A 45 THR HG22 . 36018 1 460 . 1 1 45 45 THR HG23 H 1 0.881 0.030 . 1 . . . A 45 THR HG23 . 36018 1 461 . 1 1 45 45 THR C C 13 172.684 0.300 . 1 . . . A 45 THR C . 36018 1 462 . 1 1 45 45 THR CA C 13 60.754 0.300 . 1 . . . A 45 THR CA . 36018 1 463 . 1 1 45 45 THR CB C 13 72.278 0.300 . 1 . . . A 45 THR CB . 36018 1 464 . 1 1 45 45 THR CG2 C 13 22.523 0.300 . 1 . . . A 45 THR CG2 . 36018 1 465 . 1 1 45 45 THR N N 15 113.184 0.300 . 1 . . . A 45 THR N . 36018 1 466 . 1 1 46 46 HIS H H 1 8.618 0.030 . 1 . . . A 46 HIS H . 36018 1 467 . 1 1 46 46 HIS HA H 1 5.033 0.030 . 1 . . . A 46 HIS HA . 36018 1 468 . 1 1 46 46 HIS HB2 H 1 2.937 0.030 . 2 . . . A 46 HIS HB2 . 36018 1 469 . 1 1 46 46 HIS HB3 H 1 3.048 0.030 . 2 . . . A 46 HIS HB3 . 36018 1 470 . 1 1 46 46 HIS HD2 H 1 7.150 0.030 . 1 . . . A 46 HIS HD2 . 36018 1 471 . 1 1 46 46 HIS HE1 H 1 7.711 0.030 . 1 . . . A 46 HIS HE1 . 36018 1 472 . 1 1 46 46 HIS C C 13 173.872 0.300 . 1 . . . A 46 HIS C . 36018 1 473 . 1 1 46 46 HIS CA C 13 55.579 0.300 . 1 . . . A 46 HIS CA . 36018 1 474 . 1 1 46 46 HIS CB C 13 33.724 0.300 . 1 . . . A 46 HIS CB . 36018 1 475 . 1 1 46 46 HIS CD2 C 13 122.058 0.300 . 1 . . . A 46 HIS CD2 . 36018 1 476 . 1 1 46 46 HIS CE1 C 13 138.936 0.300 . 1 . . . A 46 HIS CE1 . 36018 1 477 . 1 1 46 46 HIS N N 15 119.391 0.300 . 1 . . . A 46 HIS N . 36018 1 478 . 1 1 47 47 MET H H 1 9.431 0.030 . 1 . . . A 47 MET H . 36018 1 479 . 1 1 47 47 MET HA H 1 4.706 0.030 . 1 . . . A 47 MET HA . 36018 1 480 . 1 1 47 47 MET HB2 H 1 1.826 0.030 . 2 . . . A 47 MET HB2 . 36018 1 481 . 1 1 47 47 MET HB3 H 1 1.611 0.030 . 2 . . . A 47 MET HB3 . 36018 1 482 . 1 1 47 47 MET HG2 H 1 1.945 0.030 . 2 . . . A 47 MET HG2 . 36018 1 483 . 1 1 47 47 MET HG3 H 1 1.876 0.030 . 2 . . . A 47 MET HG3 . 36018 1 484 . 1 1 47 47 MET HE1 H 1 0.926 0.030 . 1 . . . A 47 MET HE1 . 36018 1 485 . 1 1 47 47 MET HE2 H 1 0.926 0.030 . 1 . . . A 47 MET HE2 . 36018 1 486 . 1 1 47 47 MET HE3 H 1 0.926 0.030 . 1 . . . A 47 MET HE3 . 36018 1 487 . 1 1 47 47 MET C C 13 172.233 0.300 . 1 . . . A 47 MET C . 36018 1 488 . 1 1 47 47 MET CA C 13 52.229 0.300 . 1 . . . A 47 MET CA . 36018 1 489 . 1 1 47 47 MET CB C 13 35.160 0.300 . 1 . . . A 47 MET CB . 36018 1 490 . 1 1 47 47 MET CG C 13 31.524 0.300 . 1 . . . A 47 MET CG . 36018 1 491 . 1 1 47 47 MET CE C 13 15.628 0.300 . 1 . . . A 47 MET CE . 36018 1 492 . 1 1 47 47 MET N N 15 127.283 0.300 . 1 . . . A 47 MET N . 36018 1 493 . 1 1 48 48 PRO HA H 1 4.132 0.030 . 1 . . . A 48 PRO HA . 36018 1 494 . 1 1 48 48 PRO HB2 H 1 1.688 0.030 . 2 . . . A 48 PRO HB2 . 36018 1 495 . 1 1 48 48 PRO HB3 H 1 2.398 0.030 . 2 . . . A 48 PRO HB3 . 36018 1 496 . 1 1 48 48 PRO HG2 H 1 2.018 0.030 . 2 . . . A 48 PRO HG2 . 36018 1 497 . 1 1 48 48 PRO HG3 H 1 2.100 0.030 . 2 . . . A 48 PRO HG3 . 36018 1 498 . 1 1 48 48 PRO HD2 H 1 2.995 0.030 . 2 . . . A 48 PRO HD2 . 36018 1 499 . 1 1 48 48 PRO HD3 H 1 3.306 0.030 . 2 . . . A 48 PRO HD3 . 36018 1 500 . 1 1 48 48 PRO C C 13 176.509 0.300 . 1 . . . A 48 PRO C . 36018 1 501 . 1 1 48 48 PRO CA C 13 63.237 0.300 . 1 . . . A 48 PRO CA . 36018 1 502 . 1 1 48 48 PRO CB C 13 32.313 0.300 . 1 . . . A 48 PRO CB . 36018 1 503 . 1 1 48 48 PRO CG C 13 27.702 0.300 . 1 . . . A 48 PRO CG . 36018 1 504 . 1 1 48 48 PRO CD C 13 50.657 0.300 . 1 . . . A 48 PRO CD . 36018 1 505 . 1 1 49 49 LYS H H 1 8.616 0.030 . 1 . . . A 49 LYS H . 36018 1 506 . 1 1 49 49 LYS HA H 1 4.506 0.030 . 1 . . . A 49 LYS HA . 36018 1 507 . 1 1 49 49 LYS HB2 H 1 1.325 0.030 . 2 . . . A 49 LYS HB2 . 36018 1 508 . 1 1 49 49 LYS HB3 H 1 1.572 0.030 . 2 . . . A 49 LYS HB3 . 36018 1 509 . 1 1 49 49 LYS HG2 H 1 1.451 0.030 . 2 . . . A 49 LYS HG2 . 36018 1 510 . 1 1 49 49 LYS HG3 H 1 1.232 0.030 . 2 . . . A 49 LYS HG3 . 36018 1 511 . 1 1 49 49 LYS HD2 H 1 1.511 0.030 . 2 . . . A 49 LYS HD2 . 36018 1 512 . 1 1 49 49 LYS HD3 H 1 1.557 0.030 . 2 . . . A 49 LYS HD3 . 36018 1 513 . 1 1 49 49 LYS HE2 H 1 3.077 0.030 . 1 . . . A 49 LYS HE2 . 36018 1 514 . 1 1 49 49 LYS HE3 H 1 3.077 0.030 . 1 . . . A 49 LYS HE3 . 36018 1 515 . 1 1 49 49 LYS C C 13 176.790 0.300 . 1 . . . A 49 LYS C . 36018 1 516 . 1 1 49 49 LYS CA C 13 54.288 0.300 . 1 . . . A 49 LYS CA . 36018 1 517 . 1 1 49 49 LYS CB C 13 34.495 0.300 . 1 . . . A 49 LYS CB . 36018 1 518 . 1 1 49 49 LYS CG C 13 24.560 0.300 . 1 . . . A 49 LYS CG . 36018 1 519 . 1 1 49 49 LYS CD C 13 28.298 0.300 . 1 . . . A 49 LYS CD . 36018 1 520 . 1 1 49 49 LYS CE C 13 42.324 0.300 . 1 . . . A 49 LYS CE . 36018 1 521 . 1 1 49 49 LYS N N 15 121.495 0.300 . 1 . . . A 49 LYS N . 36018 1 522 . 1 1 50 50 ASP H H 1 8.512 0.030 . 1 . . . A 50 ASP H . 36018 1 523 . 1 1 50 50 ASP HA H 1 4.447 0.030 . 1 . . . A 50 ASP HA . 36018 1 524 . 1 1 50 50 ASP HB2 H 1 3.065 0.030 . 2 . . . A 50 ASP HB2 . 36018 1 525 . 1 1 50 50 ASP HB3 H 1 2.517 0.030 . 2 . . . A 50 ASP HB3 . 36018 1 526 . 1 1 50 50 ASP C C 13 178.051 0.300 . 1 . . . A 50 ASP C . 36018 1 527 . 1 1 50 50 ASP CA C 13 54.633 0.300 . 1 . . . A 50 ASP CA . 36018 1 528 . 1 1 50 50 ASP CB C 13 43.388 0.300 . 1 . . . A 50 ASP CB . 36018 1 529 . 1 1 50 50 ASP N N 15 123.083 0.300 . 1 . . . A 50 ASP N . 36018 1 530 . 1 1 51 51 ARG H H 1 8.907 0.030 . 1 . . . A 51 ARG H . 36018 1 531 . 1 1 51 51 ARG HA H 1 4.035 0.030 . 1 . . . A 51 ARG HA . 36018 1 532 . 1 1 51 51 ARG HB2 H 1 1.903 0.030 . 1 . . . A 51 ARG HB2 . 36018 1 533 . 1 1 51 51 ARG HB3 H 1 1.903 0.030 . 1 . . . A 51 ARG HB3 . 36018 1 534 . 1 1 51 51 ARG HG2 H 1 1.717 0.030 . 1 . . . A 51 ARG HG2 . 36018 1 535 . 1 1 51 51 ARG HG3 H 1 1.717 0.030 . 1 . . . A 51 ARG HG3 . 36018 1 536 . 1 1 51 51 ARG HD2 H 1 3.247 0.030 . 1 . . . A 51 ARG HD2 . 36018 1 537 . 1 1 51 51 ARG HD3 H 1 3.247 0.030 . 1 . . . A 51 ARG HD3 . 36018 1 538 . 1 1 51 51 ARG C C 13 176.815 0.300 . 1 . . . A 51 ARG C . 36018 1 539 . 1 1 51 51 ARG CA C 13 58.591 0.300 . 1 . . . A 51 ARG CA . 36018 1 540 . 1 1 51 51 ARG CB C 13 30.350 0.300 . 1 . . . A 51 ARG CB . 36018 1 541 . 1 1 51 51 ARG CG C 13 27.226 0.300 . 1 . . . A 51 ARG CG . 36018 1 542 . 1 1 51 51 ARG CD C 13 43.314 0.300 . 1 . . . A 51 ARG CD . 36018 1 543 . 1 1 51 51 ARG N N 15 127.049 0.300 . 1 . . . A 51 ARG N . 36018 1 544 . 1 1 52 52 VAL H H 1 8.562 0.030 . 1 . . . A 52 VAL H . 36018 1 545 . 1 1 52 52 VAL HA H 1 3.925 0.030 . 1 . . . A 52 VAL HA . 36018 1 546 . 1 1 52 52 VAL HB H 1 2.250 0.030 . 1 . . . A 52 VAL HB . 36018 1 547 . 1 1 52 52 VAL HG11 H 1 0.906 0.030 . 2 . . . A 52 VAL HG11 . 36018 1 548 . 1 1 52 52 VAL HG12 H 1 0.906 0.030 . 2 . . . A 52 VAL HG12 . 36018 1 549 . 1 1 52 52 VAL HG13 H 1 0.906 0.030 . 2 . . . A 52 VAL HG13 . 36018 1 550 . 1 1 52 52 VAL HG21 H 1 0.991 0.030 . 2 . . . A 52 VAL HG21 . 36018 1 551 . 1 1 52 52 VAL HG22 H 1 0.991 0.030 . 2 . . . A 52 VAL HG22 . 36018 1 552 . 1 1 52 52 VAL HG23 H 1 0.991 0.030 . 2 . . . A 52 VAL HG23 . 36018 1 553 . 1 1 52 52 VAL C C 13 178.376 0.300 . 1 . . . A 52 VAL C . 36018 1 554 . 1 1 52 52 VAL CA C 13 65.225 0.300 . 1 . . . A 52 VAL CA . 36018 1 555 . 1 1 52 52 VAL CB C 13 32.176 0.300 . 1 . . . A 52 VAL CB . 36018 1 556 . 1 1 52 52 VAL CG1 C 13 20.955 0.300 . 2 . . . A 52 VAL CG1 . 36018 1 557 . 1 1 52 52 VAL CG2 C 13 22.110 0.300 . 2 . . . A 52 VAL CG2 . 36018 1 558 . 1 1 52 52 VAL N N 15 119.408 0.300 . 1 . . . A 52 VAL N . 36018 1 559 . 1 1 53 53 THR H H 1 8.571 0.030 . 1 . . . A 53 THR H . 36018 1 560 . 1 1 53 53 THR HA H 1 4.269 0.030 . 1 . . . A 53 THR HA . 36018 1 561 . 1 1 53 53 THR HB H 1 4.369 0.030 . 1 . . . A 53 THR HB . 36018 1 562 . 1 1 53 53 THR HG21 H 1 1.229 0.030 . 1 . . . A 53 THR HG21 . 36018 1 563 . 1 1 53 53 THR HG22 H 1 1.229 0.030 . 1 . . . A 53 THR HG22 . 36018 1 564 . 1 1 53 53 THR HG23 H 1 1.229 0.030 . 1 . . . A 53 THR HG23 . 36018 1 565 . 1 1 53 53 THR C C 13 177.219 0.300 . 1 . . . A 53 THR C . 36018 1 566 . 1 1 53 53 THR CA C 13 62.516 0.300 . 1 . . . A 53 THR CA . 36018 1 567 . 1 1 53 53 THR CB C 13 70.591 0.300 . 1 . . . A 53 THR CB . 36018 1 568 . 1 1 53 53 THR CG2 C 13 21.210 0.300 . 1 . . . A 53 THR CG2 . 36018 1 569 . 1 1 53 53 THR N N 15 108.922 0.300 . 1 . . . A 53 THR N . 36018 1 570 . 1 1 54 54 GLY H H 1 8.148 0.030 . 1 . . . A 54 GLY H . 36018 1 571 . 1 1 54 54 GLY HA2 H 1 4.146 0.030 . 2 . . . A 54 GLY HA2 . 36018 1 572 . 1 1 54 54 GLY HA3 H 1 3.779 0.030 . 2 . . . A 54 GLY HA3 . 36018 1 573 . 1 1 54 54 GLY C C 13 173.489 0.300 . 1 . . . A 54 GLY C . 36018 1 574 . 1 1 54 54 GLY CA C 13 45.955 0.300 . 1 . . . A 54 GLY CA . 36018 1 575 . 1 1 54 54 GLY N N 15 110.010 0.300 . 1 . . . A 54 GLY N . 36018 1 576 . 1 1 55 55 GLN H H 1 7.805 0.030 . 1 . . . A 55 GLN H . 36018 1 577 . 1 1 55 55 GLN HA H 1 4.544 0.030 . 1 . . . A 55 GLN HA . 36018 1 578 . 1 1 55 55 GLN HB2 H 1 1.794 0.030 . 2 . . . A 55 GLN HB2 . 36018 1 579 . 1 1 55 55 GLN HB3 H 1 2.097 0.030 . 2 . . . A 55 GLN HB3 . 36018 1 580 . 1 1 55 55 GLN HG2 H 1 2.310 0.030 . 1 . . . A 55 GLN HG2 . 36018 1 581 . 1 1 55 55 GLN HG3 H 1 2.310 0.030 . 1 . . . A 55 GLN HG3 . 36018 1 582 . 1 1 55 55 GLN HE21 H 1 6.814 0.030 . 2 . . . A 55 GLN HE21 . 36018 1 583 . 1 1 55 55 GLN HE22 H 1 7.379 0.030 . 2 . . . A 55 GLN HE22 . 36018 1 584 . 1 1 55 55 GLN C C 13 176.403 0.300 . 1 . . . A 55 GLN C . 36018 1 585 . 1 1 55 55 GLN CA C 13 54.370 0.300 . 1 . . . A 55 GLN CA . 36018 1 586 . 1 1 55 55 GLN CB C 13 30.423 0.300 . 1 . . . A 55 GLN CB . 36018 1 587 . 1 1 55 55 GLN CG C 13 33.579 0.300 . 1 . . . A 55 GLN CG . 36018 1 588 . 1 1 55 55 GLN N N 15 118.416 0.300 . 1 . . . A 55 GLN N . 36018 1 589 . 1 1 55 55 GLN NE2 N 15 112.382 0.300 . 1 . . . A 55 GLN NE2 . 36018 1 590 . 1 1 56 56 HIS H H 1 8.550 0.030 . 1 . . . A 56 HIS H . 36018 1 591 . 1 1 56 56 HIS HA H 1 4.917 0.030 . 1 . . . A 56 HIS HA . 36018 1 592 . 1 1 56 56 HIS HB2 H 1 3.537 0.030 . 2 . . . A 56 HIS HB2 . 36018 1 593 . 1 1 56 56 HIS HB3 H 1 2.862 0.030 . 2 . . . A 56 HIS HB3 . 36018 1 594 . 1 1 56 56 HIS HD2 H 1 7.150 0.030 . 1 . . . A 56 HIS HD2 . 36018 1 595 . 1 1 56 56 HIS HE1 H 1 7.304 0.030 . 1 . . . A 56 HIS HE1 . 36018 1 596 . 1 1 56 56 HIS C C 13 175.192 0.300 . 1 . . . A 56 HIS C . 36018 1 597 . 1 1 56 56 HIS CA C 13 56.433 0.300 . 1 . . . A 56 HIS CA . 36018 1 598 . 1 1 56 56 HIS CB C 13 29.915 0.300 . 1 . . . A 56 HIS CB . 36018 1 599 . 1 1 56 56 HIS CD2 C 13 120.123 0.300 . 1 . . . A 56 HIS CD2 . 36018 1 600 . 1 1 56 56 HIS CE1 C 13 138.936 0.300 . 1 . . . A 56 HIS CE1 . 36018 1 601 . 1 1 56 56 HIS N N 15 120.530 0.300 . 1 . . . A 56 HIS N . 36018 1 602 . 1 1 57 57 GLN H H 1 9.146 0.030 . 1 . . . A 57 GLN H . 36018 1 603 . 1 1 57 57 GLN HA H 1 4.613 0.030 . 1 . . . A 57 GLN HA . 36018 1 604 . 1 1 57 57 GLN HB2 H 1 2.681 0.030 . 2 . . . A 57 GLN HB2 . 36018 1 605 . 1 1 57 57 GLN HB3 H 1 1.910 0.030 . 2 . . . A 57 GLN HB3 . 36018 1 606 . 1 1 57 57 GLN HG2 H 1 2.251 0.030 . 2 . . . A 57 GLN HG2 . 36018 1 607 . 1 1 57 57 GLN HG3 H 1 2.333 0.030 . 2 . . . A 57 GLN HG3 . 36018 1 608 . 1 1 57 57 GLN HE21 H 1 7.052 0.030 . 2 . . . A 57 GLN HE21 . 36018 1 609 . 1 1 57 57 GLN HE22 H 1 6.835 0.030 . 2 . . . A 57 GLN HE22 . 36018 1 610 . 1 1 57 57 GLN C C 13 177.514 0.300 . 1 . . . A 57 GLN C . 36018 1 611 . 1 1 57 57 GLN CA C 13 55.169 0.300 . 1 . . . A 57 GLN CA . 36018 1 612 . 1 1 57 57 GLN CB C 13 31.559 0.300 . 1 . . . A 57 GLN CB . 36018 1 613 . 1 1 57 57 GLN CG C 13 35.054 0.300 . 1 . . . A 57 GLN CG . 36018 1 614 . 1 1 57 57 GLN N N 15 119.219 0.300 . 1 . . . A 57 GLN N . 36018 1 615 . 1 1 57 57 GLN NE2 N 15 111.108 0.300 . 1 . . . A 57 GLN NE2 . 36018 1 616 . 1 1 58 58 GLY H H 1 7.291 0.030 . 1 . . . A 58 GLY H . 36018 1 617 . 1 1 58 58 GLY HA2 H 1 4.103 0.030 . 2 . . . A 58 GLY HA2 . 36018 1 618 . 1 1 58 58 GLY HA3 H 1 4.396 0.030 . 2 . . . A 58 GLY HA3 . 36018 1 619 . 1 1 58 58 GLY C C 13 173.053 0.300 . 1 . . . A 58 GLY C . 36018 1 620 . 1 1 58 58 GLY CA C 13 45.914 0.300 . 1 . . . A 58 GLY CA . 36018 1 621 . 1 1 59 59 TYR H H 1 7.039 0.030 . 1 . . . A 59 TYR H . 36018 1 622 . 1 1 59 59 TYR HA H 1 5.499 0.030 . 1 . . . A 59 TYR HA . 36018 1 623 . 1 1 59 59 TYR HB2 H 1 2.664 0.030 . 2 . . . A 59 TYR HB2 . 36018 1 624 . 1 1 59 59 TYR HB3 H 1 2.887 0.030 . 2 . . . A 59 TYR HB3 . 36018 1 625 . 1 1 59 59 TYR HD1 H 1 6.533 0.030 . 1 . . . A 59 TYR HD1 . 36018 1 626 . 1 1 59 59 TYR HD2 H 1 6.533 0.030 . 1 . . . A 59 TYR HD2 . 36018 1 627 . 1 1 59 59 TYR HE1 H 1 6.770 0.030 . 1 . . . A 59 TYR HE1 . 36018 1 628 . 1 1 59 59 TYR HE2 H 1 6.770 0.030 . 1 . . . A 59 TYR HE2 . 36018 1 629 . 1 1 59 59 TYR C C 13 173.443 0.300 . 1 . . . A 59 TYR C . 36018 1 630 . 1 1 59 59 TYR CA C 13 54.977 0.300 . 1 . . . A 59 TYR CA . 36018 1 631 . 1 1 59 59 TYR CB C 13 41.252 0.300 . 1 . . . A 59 TYR CB . 36018 1 632 . 1 1 59 59 TYR CD1 C 13 133.726 0.300 . 1 . . . A 59 TYR CD1 . 36018 1 633 . 1 1 59 59 TYR CD2 C 13 133.726 0.300 . 1 . . . A 59 TYR CD2 . 36018 1 634 . 1 1 59 59 TYR CE1 C 13 117.827 0.300 . 1 . . . A 59 TYR CE1 . 36018 1 635 . 1 1 59 59 TYR CE2 C 13 117.827 0.300 . 1 . . . A 59 TYR CE2 . 36018 1 636 . 1 1 59 59 TYR N N 15 113.701 0.300 . 1 . . . A 59 TYR N . 36018 1 637 . 1 1 60 60 GLY H H 1 8.791 0.030 . 1 . . . A 60 GLY H . 36018 1 638 . 1 1 60 60 GLY HA2 H 1 3.302 0.030 . 2 . . . A 60 GLY HA2 . 36018 1 639 . 1 1 60 60 GLY HA3 H 1 4.074 0.030 . 2 . . . A 60 GLY HA3 . 36018 1 640 . 1 1 60 60 GLY C C 13 177.705 0.300 . 1 . . . A 60 GLY C . 36018 1 641 . 1 1 60 60 GLY CA C 13 45.130 0.300 . 1 . . . A 60 GLY CA . 36018 1 642 . 1 1 60 60 GLY N N 15 106.279 0.300 . 1 . . . A 60 GLY N . 36018 1 643 . 1 1 61 61 PHE H H 1 8.810 0.030 . 1 . . . A 61 PHE H . 36018 1 644 . 1 1 61 61 PHE HA H 1 5.692 0.030 . 1 . . . A 61 PHE HA . 36018 1 645 . 1 1 61 61 PHE HB2 H 1 2.807 0.030 . 2 . . . A 61 PHE HB2 . 36018 1 646 . 1 1 61 61 PHE HB3 H 1 2.651 0.030 . 2 . . . A 61 PHE HB3 . 36018 1 647 . 1 1 61 61 PHE HD1 H 1 7.146 0.030 . 1 . . . A 61 PHE HD1 . 36018 1 648 . 1 1 61 61 PHE HD2 H 1 7.146 0.030 . 1 . . . A 61 PHE HD2 . 36018 1 649 . 1 1 61 61 PHE HE1 H 1 7.503 0.030 . 1 . . . A 61 PHE HE1 . 36018 1 650 . 1 1 61 61 PHE HE2 H 1 7.503 0.030 . 1 . . . A 61 PHE HE2 . 36018 1 651 . 1 1 61 61 PHE HZ H 1 7.492 0.030 . 1 . . . A 61 PHE HZ . 36018 1 652 . 1 1 61 61 PHE C C 13 175.461 0.300 . 1 . . . A 61 PHE C . 36018 1 653 . 1 1 61 61 PHE CA C 13 55.839 0.300 . 1 . . . A 61 PHE CA . 36018 1 654 . 1 1 61 61 PHE CB C 13 43.121 0.300 . 1 . . . A 61 PHE CB . 36018 1 655 . 1 1 61 61 PHE CD1 C 13 132.038 0.300 . 1 . . . A 61 PHE CD1 . 36018 1 656 . 1 1 61 61 PHE CD2 C 13 132.038 0.300 . 1 . . . A 61 PHE CD2 . 36018 1 657 . 1 1 61 61 PHE CE1 C 13 131.176 0.300 . 1 . . . A 61 PHE CE1 . 36018 1 658 . 1 1 61 61 PHE CE2 C 13 131.176 0.300 . 1 . . . A 61 PHE CE2 . 36018 1 659 . 1 1 61 61 PHE CZ C 13 129.854 0.300 . 1 . . . A 61 PHE CZ . 36018 1 660 . 1 1 61 61 PHE N N 15 114.956 0.300 . 1 . . . A 61 PHE N . 36018 1 661 . 1 1 62 62 VAL H H 1 8.604 0.030 . 1 . . . A 62 VAL H . 36018 1 662 . 1 1 62 62 VAL HA H 1 4.122 0.030 . 1 . . . A 62 VAL HA . 36018 1 663 . 1 1 62 62 VAL HB H 1 1.299 0.030 . 1 . . . A 62 VAL HB . 36018 1 664 . 1 1 62 62 VAL HG11 H 1 -0.028 0.030 . 2 . . . A 62 VAL HG11 . 36018 1 665 . 1 1 62 62 VAL HG12 H 1 -0.028 0.030 . 2 . . . A 62 VAL HG12 . 36018 1 666 . 1 1 62 62 VAL HG13 H 1 -0.028 0.030 . 2 . . . A 62 VAL HG13 . 36018 1 667 . 1 1 62 62 VAL HG21 H 1 -0.024 0.030 . 2 . . . A 62 VAL HG21 . 36018 1 668 . 1 1 62 62 VAL HG22 H 1 -0.024 0.030 . 2 . . . A 62 VAL HG22 . 36018 1 669 . 1 1 62 62 VAL HG23 H 1 -0.024 0.030 . 2 . . . A 62 VAL HG23 . 36018 1 670 . 1 1 62 62 VAL C C 13 172.906 0.300 . 1 . . . A 62 VAL C . 36018 1 671 . 1 1 62 62 VAL CA C 13 61.435 0.300 . 1 . . . A 62 VAL CA . 36018 1 672 . 1 1 62 62 VAL CB C 13 33.727 0.300 . 1 . . . A 62 VAL CB . 36018 1 673 . 1 1 62 62 VAL CG1 C 13 21.698 0.300 . 2 . . . A 62 VAL CG1 . 36018 1 674 . 1 1 62 62 VAL CG2 C 13 19.635 0.300 . 2 . . . A 62 VAL CG2 . 36018 1 675 . 1 1 62 62 VAL N N 15 121.467 0.300 . 1 . . . A 62 VAL N . 36018 1 676 . 1 1 63 63 GLU H H 1 8.524 0.030 . 1 . . . A 63 GLU H . 36018 1 677 . 1 1 63 63 GLU HA H 1 4.775 0.030 . 1 . . . A 63 GLU HA . 36018 1 678 . 1 1 63 63 GLU HB2 H 1 1.678 0.030 . 1 . . . A 63 GLU HB2 . 36018 1 679 . 1 1 63 63 GLU HB3 H 1 1.678 0.030 . 1 . . . A 63 GLU HB3 . 36018 1 680 . 1 1 63 63 GLU HG2 H 1 2.157 0.030 . 1 . . . A 63 GLU HG2 . 36018 1 681 . 1 1 63 63 GLU HG3 H 1 2.157 0.030 . 1 . . . A 63 GLU HG3 . 36018 1 682 . 1 1 63 63 GLU C C 13 174.999 0.300 . 1 . . . A 63 GLU C . 36018 1 683 . 1 1 63 63 GLU CA C 13 54.776 0.300 . 1 . . . A 63 GLU CA . 36018 1 684 . 1 1 63 63 GLU CB C 13 32.424 0.300 . 1 . . . A 63 GLU CB . 36018 1 685 . 1 1 63 63 GLU CG C 13 35.476 0.300 . 1 . . . A 63 GLU CG . 36018 1 686 . 1 1 63 63 GLU N N 15 128.915 0.300 . 1 . . . A 63 GLU N . 36018 1 687 . 1 1 64 64 PHE H H 1 8.869 0.030 . 1 . . . A 64 PHE H . 36018 1 688 . 1 1 64 64 PHE HA H 1 4.976 0.030 . 1 . . . A 64 PHE HA . 36018 1 689 . 1 1 64 64 PHE HB2 H 1 3.642 0.030 . 2 . . . A 64 PHE HB2 . 36018 1 690 . 1 1 64 64 PHE HB3 H 1 3.070 0.030 . 2 . . . A 64 PHE HB3 . 36018 1 691 . 1 1 64 64 PHE HD1 H 1 7.115 0.030 . 1 . . . A 64 PHE HD1 . 36018 1 692 . 1 1 64 64 PHE HD2 H 1 7.115 0.030 . 1 . . . A 64 PHE HD2 . 36018 1 693 . 1 1 64 64 PHE HE1 H 1 7.182 0.030 . 1 . . . A 64 PHE HE1 . 36018 1 694 . 1 1 64 64 PHE HE2 H 1 7.182 0.030 . 1 . . . A 64 PHE HE2 . 36018 1 695 . 1 1 64 64 PHE HZ H 1 7.312 0.030 . 1 . . . A 64 PHE HZ . 36018 1 696 . 1 1 64 64 PHE C C 13 174.986 0.300 . 1 . . . A 64 PHE C . 36018 1 697 . 1 1 64 64 PHE CA C 13 58.005 0.300 . 1 . . . A 64 PHE CA . 36018 1 698 . 1 1 64 64 PHE CB C 13 42.449 0.300 . 1 . . . A 64 PHE CB . 36018 1 699 . 1 1 64 64 PHE CD1 C 13 131.384 0.300 . 1 . . . A 64 PHE CD1 . 36018 1 700 . 1 1 64 64 PHE CD2 C 13 131.384 0.300 . 1 . . . A 64 PHE CD2 . 36018 1 701 . 1 1 64 64 PHE CE1 C 13 131.111 0.300 . 1 . . . A 64 PHE CE1 . 36018 1 702 . 1 1 64 64 PHE CE2 C 13 131.111 0.300 . 1 . . . A 64 PHE CE2 . 36018 1 703 . 1 1 64 64 PHE CZ C 13 129.310 0.300 . 1 . . . A 64 PHE CZ . 36018 1 704 . 1 1 64 64 PHE N N 15 126.051 0.300 . 1 . . . A 64 PHE N . 36018 1 705 . 1 1 65 65 LEU H H 1 8.264 0.030 . 1 . . . A 65 LEU H . 36018 1 706 . 1 1 65 65 LEU HA H 1 4.108 0.030 . 1 . . . A 65 LEU HA . 36018 1 707 . 1 1 65 65 LEU HB2 H 1 1.847 0.030 . 2 . . . A 65 LEU HB2 . 36018 1 708 . 1 1 65 65 LEU HB3 H 1 1.618 0.030 . 2 . . . A 65 LEU HB3 . 36018 1 709 . 1 1 65 65 LEU HG H 1 1.630 0.030 . 1 . . . A 65 LEU HG . 36018 1 710 . 1 1 65 65 LEU HD11 H 1 0.925 0.030 . 2 . . . A 65 LEU HD11 . 36018 1 711 . 1 1 65 65 LEU HD12 H 1 0.925 0.030 . 2 . . . A 65 LEU HD12 . 36018 1 712 . 1 1 65 65 LEU HD13 H 1 0.925 0.030 . 2 . . . A 65 LEU HD13 . 36018 1 713 . 1 1 65 65 LEU HD21 H 1 0.953 0.030 . 2 . . . A 65 LEU HD21 . 36018 1 714 . 1 1 65 65 LEU HD22 H 1 0.953 0.030 . 2 . . . A 65 LEU HD22 . 36018 1 715 . 1 1 65 65 LEU HD23 H 1 0.953 0.030 . 2 . . . A 65 LEU HD23 . 36018 1 716 . 1 1 65 65 LEU C C 13 177.219 0.300 . 1 . . . A 65 LEU C . 36018 1 717 . 1 1 65 65 LEU CA C 13 57.314 0.300 . 1 . . . A 65 LEU CA . 36018 1 718 . 1 1 65 65 LEU CB C 13 43.309 0.300 . 1 . . . A 65 LEU CB . 36018 1 719 . 1 1 65 65 LEU CG C 13 26.992 0.300 . 1 . . . A 65 LEU CG . 36018 1 720 . 1 1 65 65 LEU CD1 C 13 24.758 0.300 . 2 . . . A 65 LEU CD1 . 36018 1 721 . 1 1 65 65 LEU CD2 C 13 24.425 0.300 . 2 . . . A 65 LEU CD2 . 36018 1 722 . 1 1 65 65 LEU N N 15 118.604 0.300 . 1 . . . A 65 LEU N . 36018 1 723 . 1 1 66 66 SER H H 1 8.155 0.030 . 1 . . . A 66 SER H . 36018 1 724 . 1 1 66 66 SER HA H 1 4.920 0.030 . 1 . . . A 66 SER HA . 36018 1 725 . 1 1 66 66 SER HB2 H 1 3.842 0.030 . 2 . . . A 66 SER HB2 . 36018 1 726 . 1 1 66 66 SER HB3 H 1 4.103 0.030 . 2 . . . A 66 SER HB3 . 36018 1 727 . 1 1 66 66 SER C C 13 174.570 0.300 . 1 . . . A 66 SER C . 36018 1 728 . 1 1 66 66 SER CA C 13 56.185 0.300 . 1 . . . A 66 SER CA . 36018 1 729 . 1 1 66 66 SER CB C 13 67.076 0.300 . 1 . . . A 66 SER CB . 36018 1 730 . 1 1 66 66 SER N N 15 109.621 0.300 . 1 . . . A 66 SER N . 36018 1 731 . 1 1 67 67 GLU H H 1 9.263 0.030 . 1 . . . A 67 GLU H . 36018 1 732 . 1 1 67 67 GLU HA H 1 3.978 0.030 . 1 . . . A 67 GLU HA . 36018 1 733 . 1 1 67 67 GLU HB2 H 1 1.945 0.030 . 1 . . . A 67 GLU HB2 . 36018 1 734 . 1 1 67 67 GLU HB3 H 1 1.945 0.030 . 1 . . . A 67 GLU HB3 . 36018 1 735 . 1 1 67 67 GLU HG2 H 1 2.319 0.030 . 2 . . . A 67 GLU HG2 . 36018 1 736 . 1 1 67 67 GLU HG3 H 1 2.254 0.030 . 2 . . . A 67 GLU HG3 . 36018 1 737 . 1 1 67 67 GLU C C 13 177.377 0.300 . 1 . . . A 67 GLU C . 36018 1 738 . 1 1 67 67 GLU CA C 13 59.546 0.300 . 1 . . . A 67 GLU CA . 36018 1 739 . 1 1 67 67 GLU CB C 13 29.618 0.300 . 1 . . . A 67 GLU CB . 36018 1 740 . 1 1 67 67 GLU CG C 13 36.136 0.300 . 1 . . . A 67 GLU CG . 36018 1 741 . 1 1 67 67 GLU N N 15 125.470 0.300 . 1 . . . A 67 GLU N . 36018 1 742 . 1 1 68 68 GLU H H 1 8.649 0.030 . 1 . . . A 68 GLU H . 36018 1 743 . 1 1 68 68 GLU HA H 1 4.096 0.030 . 1 . . . A 68 GLU HA . 36018 1 744 . 1 1 68 68 GLU HB2 H 1 1.929 0.030 . 2 . . . A 68 GLU HB2 . 36018 1 745 . 1 1 68 68 GLU HB3 H 1 2.002 0.030 . 2 . . . A 68 GLU HB3 . 36018 1 746 . 1 1 68 68 GLU HG2 H 1 2.297 0.030 . 2 . . . A 68 GLU HG2 . 36018 1 747 . 1 1 68 68 GLU HG3 H 1 2.354 0.030 . 2 . . . A 68 GLU HG3 . 36018 1 748 . 1 1 68 68 GLU C C 13 179.527 0.300 . 1 . . . A 68 GLU C . 36018 1 749 . 1 1 68 68 GLU CA C 13 59.898 0.300 . 1 . . . A 68 GLU CA . 36018 1 750 . 1 1 68 68 GLU CB C 13 28.955 0.300 . 1 . . . A 68 GLU CB . 36018 1 751 . 1 1 68 68 GLU CG C 13 36.813 0.300 . 1 . . . A 68 GLU CG . 36018 1 752 . 1 1 68 68 GLU N N 15 118.219 0.300 . 1 . . . A 68 GLU N . 36018 1 753 . 1 1 69 69 ASP H H 1 7.376 0.030 . 1 . . . A 69 ASP H . 36018 1 754 . 1 1 69 69 ASP HA H 1 4.400 0.030 . 1 . . . A 69 ASP HA . 36018 1 755 . 1 1 69 69 ASP HB2 H 1 2.814 0.030 . 2 . . . A 69 ASP HB2 . 36018 1 756 . 1 1 69 69 ASP HB3 H 1 2.249 0.030 . 2 . . . A 69 ASP HB3 . 36018 1 757 . 1 1 69 69 ASP C C 13 176.680 0.300 . 1 . . . A 69 ASP C . 36018 1 758 . 1 1 69 69 ASP CA C 13 56.986 0.300 . 1 . . . A 69 ASP CA . 36018 1 759 . 1 1 69 69 ASP CB C 13 40.847 0.300 . 1 . . . A 69 ASP CB . 36018 1 760 . 1 1 69 69 ASP N N 15 120.743 0.300 . 1 . . . A 69 ASP N . 36018 1 761 . 1 1 70 70 ALA H H 1 7.084 0.030 . 1 . . . A 70 ALA H . 36018 1 762 . 1 1 70 70 ALA HA H 1 3.461 0.030 . 1 . . . A 70 ALA HA . 36018 1 763 . 1 1 70 70 ALA HB1 H 1 1.432 0.030 . 1 . . . A 70 ALA HB1 . 36018 1 764 . 1 1 70 70 ALA HB2 H 1 1.432 0.030 . 1 . . . A 70 ALA HB2 . 36018 1 765 . 1 1 70 70 ALA HB3 H 1 1.432 0.030 . 1 . . . A 70 ALA HB3 . 36018 1 766 . 1 1 70 70 ALA C C 13 178.577 0.300 . 1 . . . A 70 ALA C . 36018 1 767 . 1 1 70 70 ALA CA C 13 54.944 0.300 . 1 . . . A 70 ALA CA . 36018 1 768 . 1 1 70 70 ALA CB C 13 17.539 0.300 . 1 . . . A 70 ALA CB . 36018 1 769 . 1 1 70 70 ALA N N 15 121.747 0.300 . 1 . . . A 70 ALA N . 36018 1 770 . 1 1 71 71 ASP H H 1 8.201 0.030 . 1 . . . A 71 ASP H . 36018 1 771 . 1 1 71 71 ASP HA H 1 4.346 0.030 . 1 . . . A 71 ASP HA . 36018 1 772 . 1 1 71 71 ASP HB2 H 1 2.724 0.030 . 2 . . . A 71 ASP HB2 . 36018 1 773 . 1 1 71 71 ASP HB3 H 1 2.572 0.030 . 2 . . . A 71 ASP HB3 . 36018 1 774 . 1 1 71 71 ASP C C 13 179.390 0.300 . 1 . . . A 71 ASP C . 36018 1 775 . 1 1 71 71 ASP CA C 13 57.496 0.300 . 1 . . . A 71 ASP CA . 36018 1 776 . 1 1 71 71 ASP CB C 13 40.385 0.300 . 1 . . . A 71 ASP CB . 36018 1 777 . 1 1 71 71 ASP N N 15 116.455 0.300 . 1 . . . A 71 ASP N . 36018 1 778 . 1 1 72 72 TYR H H 1 7.789 0.030 . 1 . . . A 72 TYR H . 36018 1 779 . 1 1 72 72 TYR HA H 1 4.341 0.030 . 1 . . . A 72 TYR HA . 36018 1 780 . 1 1 72 72 TYR HB2 H 1 3.216 0.030 . 2 . . . A 72 TYR HB2 . 36018 1 781 . 1 1 72 72 TYR HB3 H 1 3.100 0.030 . 2 . . . A 72 TYR HB3 . 36018 1 782 . 1 1 72 72 TYR HD1 H 1 7.302 0.030 . 1 . . . A 72 TYR HD1 . 36018 1 783 . 1 1 72 72 TYR HD2 H 1 7.302 0.030 . 1 . . . A 72 TYR HD2 . 36018 1 784 . 1 1 72 72 TYR HE1 H 1 6.796 0.030 . 1 . . . A 72 TYR HE1 . 36018 1 785 . 1 1 72 72 TYR HE2 H 1 6.796 0.030 . 1 . . . A 72 TYR HE2 . 36018 1 786 . 1 1 72 72 TYR C C 13 176.738 0.300 . 1 . . . A 72 TYR C . 36018 1 787 . 1 1 72 72 TYR CA C 13 60.854 0.300 . 1 . . . A 72 TYR CA . 36018 1 788 . 1 1 72 72 TYR CB C 13 38.199 0.300 . 1 . . . A 72 TYR CB . 36018 1 789 . 1 1 72 72 TYR CD1 C 13 133.026 0.300 . 1 . . . A 72 TYR CD1 . 36018 1 790 . 1 1 72 72 TYR CD2 C 13 133.026 0.300 . 1 . . . A 72 TYR CD2 . 36018 1 791 . 1 1 72 72 TYR CE1 C 13 118.089 0.300 . 1 . . . A 72 TYR CE1 . 36018 1 792 . 1 1 72 72 TYR CE2 C 13 118.089 0.300 . 1 . . . A 72 TYR CE2 . 36018 1 793 . 1 1 72 72 TYR N N 15 122.834 0.300 . 1 . . . A 72 TYR N . 36018 1 794 . 1 1 73 73 ALA H H 1 8.291 0.030 . 1 . . . A 73 ALA H . 36018 1 795 . 1 1 73 73 ALA HA H 1 3.609 0.030 . 1 . . . A 73 ALA HA . 36018 1 796 . 1 1 73 73 ALA HB1 H 1 1.394 0.030 . 1 . . . A 73 ALA HB1 . 36018 1 797 . 1 1 73 73 ALA HB2 H 1 1.394 0.030 . 1 . . . A 73 ALA HB2 . 36018 1 798 . 1 1 73 73 ALA HB3 H 1 1.394 0.030 . 1 . . . A 73 ALA HB3 . 36018 1 799 . 1 1 73 73 ALA C C 13 179.589 0.300 . 1 . . . A 73 ALA C . 36018 1 800 . 1 1 73 73 ALA CA C 13 55.290 0.300 . 1 . . . A 73 ALA CA . 36018 1 801 . 1 1 73 73 ALA CB C 13 19.063 0.300 . 1 . . . A 73 ALA CB . 36018 1 802 . 1 1 73 73 ALA N N 15 120.353 0.300 . 1 . . . A 73 ALA N . 36018 1 803 . 1 1 74 74 ILE H H 1 7.805 0.030 . 1 . . . A 74 ILE H . 36018 1 804 . 1 1 74 74 ILE HA H 1 3.372 0.030 . 1 . . . A 74 ILE HA . 36018 1 805 . 1 1 74 74 ILE HB H 1 1.908 0.030 . 1 . . . A 74 ILE HB . 36018 1 806 . 1 1 74 74 ILE HG12 H 1 1.889 0.030 . 2 . . . A 74 ILE HG12 . 36018 1 807 . 1 1 74 74 ILE HG13 H 1 0.764 0.030 . 2 . . . A 74 ILE HG13 . 36018 1 808 . 1 1 74 74 ILE HG21 H 1 0.982 0.030 . 1 . . . A 74 ILE HG21 . 36018 1 809 . 1 1 74 74 ILE HG22 H 1 0.982 0.030 . 1 . . . A 74 ILE HG22 . 36018 1 810 . 1 1 74 74 ILE HG23 H 1 0.982 0.030 . 1 . . . A 74 ILE HG23 . 36018 1 811 . 1 1 74 74 ILE HD11 H 1 0.957 0.030 . 1 . . . A 74 ILE HD11 . 36018 1 812 . 1 1 74 74 ILE HD12 H 1 0.957 0.030 . 1 . . . A 74 ILE HD12 . 36018 1 813 . 1 1 74 74 ILE HD13 H 1 0.957 0.030 . 1 . . . A 74 ILE HD13 . 36018 1 814 . 1 1 74 74 ILE C C 13 177.477 0.300 . 1 . . . A 74 ILE C . 36018 1 815 . 1 1 74 74 ILE CA C 13 65.826 0.300 . 1 . . . A 74 ILE CA . 36018 1 816 . 1 1 74 74 ILE CB C 13 38.679 0.300 . 1 . . . A 74 ILE CB . 36018 1 817 . 1 1 74 74 ILE CG1 C 13 30.216 0.300 . 1 . . . A 74 ILE CG1 . 36018 1 818 . 1 1 74 74 ILE CG2 C 13 17.189 0.300 . 1 . . . A 74 ILE CG2 . 36018 1 819 . 1 1 74 74 ILE CD1 C 13 15.115 0.300 . 1 . . . A 74 ILE CD1 . 36018 1 820 . 1 1 74 74 ILE N N 15 117.188 0.300 . 1 . . . A 74 ILE N . 36018 1 821 . 1 1 75 75 LYS H H 1 7.238 0.030 . 1 . . . A 75 LYS H . 36018 1 822 . 1 1 75 75 LYS HA H 1 4.012 0.030 . 1 . . . A 75 LYS HA . 36018 1 823 . 1 1 75 75 LYS HB2 H 1 1.922 0.030 . 2 . . . A 75 LYS HB2 . 36018 1 824 . 1 1 75 75 LYS HB3 H 1 1.963 0.030 . 2 . . . A 75 LYS HB3 . 36018 1 825 . 1 1 75 75 LYS HG2 H 1 1.344 0.030 . 2 . . . A 75 LYS HG2 . 36018 1 826 . 1 1 75 75 LYS HG3 H 1 1.549 0.030 . 2 . . . A 75 LYS HG3 . 36018 1 827 . 1 1 75 75 LYS HD2 H 1 1.722 0.030 . 1 . . . A 75 LYS HD2 . 36018 1 828 . 1 1 75 75 LYS HD3 H 1 1.722 0.030 . 1 . . . A 75 LYS HD3 . 36018 1 829 . 1 1 75 75 LYS HE2 H 1 2.996 0.030 . 2 . . . A 75 LYS HE2 . 36018 1 830 . 1 1 75 75 LYS HE3 H 1 3.031 0.030 . 2 . . . A 75 LYS HE3 . 36018 1 831 . 1 1 75 75 LYS C C 13 179.317 0.300 . 1 . . . A 75 LYS C . 36018 1 832 . 1 1 75 75 LYS CA C 13 59.403 0.300 . 1 . . . A 75 LYS CA . 36018 1 833 . 1 1 75 75 LYS CB C 13 32.589 0.300 . 1 . . . A 75 LYS CB . 36018 1 834 . 1 1 75 75 LYS CG C 13 25.024 0.300 . 1 . . . A 75 LYS CG . 36018 1 835 . 1 1 75 75 LYS CD C 13 29.479 0.300 . 1 . . . A 75 LYS CD . 36018 1 836 . 1 1 75 75 LYS CE C 13 42.185 0.300 . 1 . . . A 75 LYS CE . 36018 1 837 . 1 1 75 75 LYS N N 15 117.715 0.300 . 1 . . . A 75 LYS N . 36018 1 838 . 1 1 76 76 ILE H H 1 7.819 0.030 . 1 . . . A 76 ILE H . 36018 1 839 . 1 1 76 76 ILE HA H 1 4.341 0.030 . 1 . . . A 76 ILE HA . 36018 1 840 . 1 1 76 76 ILE HB H 1 1.678 0.030 . 1 . . . A 76 ILE HB . 36018 1 841 . 1 1 76 76 ILE HG12 H 1 0.719 0.030 . 2 . . . A 76 ILE HG12 . 36018 1 842 . 1 1 76 76 ILE HG13 H 1 0.871 0.030 . 2 . . . A 76 ILE HG13 . 36018 1 843 . 1 1 76 76 ILE HG21 H 1 0.510 0.030 . 1 . . . A 76 ILE HG21 . 36018 1 844 . 1 1 76 76 ILE HG22 H 1 0.510 0.030 . 1 . . . A 76 ILE HG22 . 36018 1 845 . 1 1 76 76 ILE HG23 H 1 0.510 0.030 . 1 . . . A 76 ILE HG23 . 36018 1 846 . 1 1 76 76 ILE HD11 H 1 0.493 0.030 . 1 . . . A 76 ILE HD11 . 36018 1 847 . 1 1 76 76 ILE HD12 H 1 0.493 0.030 . 1 . . . A 76 ILE HD12 . 36018 1 848 . 1 1 76 76 ILE HD13 H 1 0.493 0.030 . 1 . . . A 76 ILE HD13 . 36018 1 849 . 1 1 76 76 ILE C C 13 177.472 0.300 . 1 . . . A 76 ILE C . 36018 1 850 . 1 1 76 76 ILE CA C 13 62.337 0.300 . 1 . . . A 76 ILE CA . 36018 1 851 . 1 1 76 76 ILE CB C 13 39.248 0.300 . 1 . . . A 76 ILE CB . 36018 1 852 . 1 1 76 76 ILE CG1 C 13 26.102 0.300 . 1 . . . A 76 ILE CG1 . 36018 1 853 . 1 1 76 76 ILE CG2 C 13 17.747 0.300 . 1 . . . A 76 ILE CG2 . 36018 1 854 . 1 1 76 76 ILE CD1 C 13 14.095 0.300 . 1 . . . A 76 ILE CD1 . 36018 1 855 . 1 1 76 76 ILE N N 15 109.638 0.300 . 1 . . . A 76 ILE N . 36018 1 856 . 1 1 77 77 MET H H 1 8.361 0.030 . 1 . . . A 77 MET H . 36018 1 857 . 1 1 77 77 MET HA H 1 4.749 0.030 . 1 . . . A 77 MET HA . 36018 1 858 . 1 1 77 77 MET HB2 H 1 2.071 0.030 . 2 . . . A 77 MET HB2 . 36018 1 859 . 1 1 77 77 MET HB3 H 1 1.732 0.030 . 2 . . . A 77 MET HB3 . 36018 1 860 . 1 1 77 77 MET HG2 H 1 1.913 0.030 . 2 . . . A 77 MET HG2 . 36018 1 861 . 1 1 77 77 MET HG3 H 1 2.269 0.030 . 2 . . . A 77 MET HG3 . 36018 1 862 . 1 1 77 77 MET HE1 H 1 1.257 0.030 . 1 . . . A 77 MET HE1 . 36018 1 863 . 1 1 77 77 MET HE2 H 1 1.257 0.030 . 1 . . . A 77 MET HE2 . 36018 1 864 . 1 1 77 77 MET HE3 H 1 1.257 0.030 . 1 . . . A 77 MET HE3 . 36018 1 865 . 1 1 77 77 MET C C 13 176.368 0.300 . 1 . . . A 77 MET C . 36018 1 866 . 1 1 77 77 MET CA C 13 53.875 0.300 . 1 . . . A 77 MET CA . 36018 1 867 . 1 1 77 77 MET CB C 13 32.162 0.300 . 1 . . . A 77 MET CB . 36018 1 868 . 1 1 77 77 MET CG C 13 32.495 0.300 . 1 . . . A 77 MET CG . 36018 1 869 . 1 1 77 77 MET CE C 13 16.736 0.300 . 1 . . . A 77 MET CE . 36018 1 870 . 1 1 77 77 MET N N 15 117.480 0.300 . 1 . . . A 77 MET N . 36018 1 871 . 1 1 78 78 ASP H H 1 6.977 0.030 . 1 . . . A 78 ASP H . 36018 1 872 . 1 1 78 78 ASP HA H 1 4.361 0.030 . 1 . . . A 78 ASP HA . 36018 1 873 . 1 1 78 78 ASP HB2 H 1 2.596 0.030 . 2 . . . A 78 ASP HB2 . 36018 1 874 . 1 1 78 78 ASP HB3 H 1 3.156 0.030 . 2 . . . A 78 ASP HB3 . 36018 1 875 . 1 1 78 78 ASP C C 13 177.205 0.300 . 1 . . . A 78 ASP C . 36018 1 876 . 1 1 78 78 ASP CA C 13 57.835 0.300 . 1 . . . A 78 ASP CA . 36018 1 877 . 1 1 78 78 ASP CB C 13 41.723 0.300 . 1 . . . A 78 ASP CB . 36018 1 878 . 1 1 78 78 ASP N N 15 116.104 0.300 . 1 . . . A 78 ASP N . 36018 1 879 . 1 1 79 79 MET H H 1 8.547 0.030 . 1 . . . A 79 MET H . 36018 1 880 . 1 1 79 79 MET HA H 1 4.241 0.030 . 1 . . . A 79 MET HA . 36018 1 881 . 1 1 79 79 MET HB2 H 1 2.226 0.030 . 2 . . . A 79 MET HB2 . 36018 1 882 . 1 1 79 79 MET HB3 H 1 2.466 0.030 . 2 . . . A 79 MET HB3 . 36018 1 883 . 1 1 79 79 MET HG2 H 1 2.427 0.030 . 2 . . . A 79 MET HG2 . 36018 1 884 . 1 1 79 79 MET HG3 H 1 2.609 0.030 . 2 . . . A 79 MET HG3 . 36018 1 885 . 1 1 79 79 MET HE1 H 1 2.041 0.030 . 1 . . . A 79 MET HE1 . 36018 1 886 . 1 1 79 79 MET HE2 H 1 2.041 0.030 . 1 . . . A 79 MET HE2 . 36018 1 887 . 1 1 79 79 MET HE3 H 1 2.041 0.030 . 1 . . . A 79 MET HE3 . 36018 1 888 . 1 1 79 79 MET C C 13 176.068 0.300 . 1 . . . A 79 MET C . 36018 1 889 . 1 1 79 79 MET CA C 13 57.386 0.300 . 1 . . . A 79 MET CA . 36018 1 890 . 1 1 79 79 MET CB C 13 28.823 0.300 . 1 . . . A 79 MET CB . 36018 1 891 . 1 1 79 79 MET CG C 13 32.976 0.300 . 1 . . . A 79 MET CG . 36018 1 892 . 1 1 79 79 MET CE C 13 16.474 0.300 . 1 . . . A 79 MET CE . 36018 1 893 . 1 1 79 79 MET N N 15 117.618 0.300 . 1 . . . A 79 MET N . 36018 1 894 . 1 1 80 80 ILE H H 1 7.468 0.030 . 1 . . . A 80 ILE H . 36018 1 895 . 1 1 80 80 ILE HA H 1 4.133 0.030 . 1 . . . A 80 ILE HA . 36018 1 896 . 1 1 80 80 ILE HB H 1 1.916 0.030 . 1 . . . A 80 ILE HB . 36018 1 897 . 1 1 80 80 ILE HG12 H 1 1.350 0.030 . 2 . . . A 80 ILE HG12 . 36018 1 898 . 1 1 80 80 ILE HG13 H 1 1.461 0.030 . 2 . . . A 80 ILE HG13 . 36018 1 899 . 1 1 80 80 ILE HG21 H 1 0.830 0.030 . 1 . . . A 80 ILE HG21 . 36018 1 900 . 1 1 80 80 ILE HG22 H 1 0.830 0.030 . 1 . . . A 80 ILE HG22 . 36018 1 901 . 1 1 80 80 ILE HG23 H 1 0.830 0.030 . 1 . . . A 80 ILE HG23 . 36018 1 902 . 1 1 80 80 ILE HD11 H 1 0.781 0.030 . 1 . . . A 80 ILE HD11 . 36018 1 903 . 1 1 80 80 ILE HD12 H 1 0.781 0.030 . 1 . . . A 80 ILE HD12 . 36018 1 904 . 1 1 80 80 ILE HD13 H 1 0.781 0.030 . 1 . . . A 80 ILE HD13 . 36018 1 905 . 1 1 80 80 ILE C C 13 174.977 0.300 . 1 . . . A 80 ILE C . 36018 1 906 . 1 1 80 80 ILE CA C 13 61.894 0.300 . 1 . . . A 80 ILE CA . 36018 1 907 . 1 1 80 80 ILE CB C 13 38.061 0.300 . 1 . . . A 80 ILE CB . 36018 1 908 . 1 1 80 80 ILE CG1 C 13 27.328 0.300 . 1 . . . A 80 ILE CG1 . 36018 1 909 . 1 1 80 80 ILE CG2 C 13 17.786 0.300 . 1 . . . A 80 ILE CG2 . 36018 1 910 . 1 1 80 80 ILE CD1 C 13 13.716 0.300 . 1 . . . A 80 ILE CD1 . 36018 1 911 . 1 1 80 80 ILE N N 15 118.769 0.300 . 1 . . . A 80 ILE N . 36018 1 912 . 1 1 81 81 LYS H H 1 8.141 0.030 . 1 . . . A 81 LYS H . 36018 1 913 . 1 1 81 81 LYS HA H 1 4.578 0.030 . 1 . . . A 81 LYS HA . 36018 1 914 . 1 1 81 81 LYS HB2 H 1 1.693 0.030 . 2 . . . A 81 LYS HB2 . 36018 1 915 . 1 1 81 81 LYS HB3 H 1 1.166 0.030 . 2 . . . A 81 LYS HB3 . 36018 1 916 . 1 1 81 81 LYS HG2 H 1 1.441 0.030 . 2 . . . A 81 LYS HG2 . 36018 1 917 . 1 1 81 81 LYS HG3 H 1 0.854 0.030 . 2 . . . A 81 LYS HG3 . 36018 1 918 . 1 1 81 81 LYS HD2 H 1 1.510 0.030 . 2 . . . A 81 LYS HD2 . 36018 1 919 . 1 1 81 81 LYS HD3 H 1 1.485 0.030 . 2 . . . A 81 LYS HD3 . 36018 1 920 . 1 1 81 81 LYS HE2 H 1 2.904 0.030 . 1 . . . A 81 LYS HE2 . 36018 1 921 . 1 1 81 81 LYS HE3 H 1 2.904 0.030 . 1 . . . A 81 LYS HE3 . 36018 1 922 . 1 1 81 81 LYS C C 13 176.274 0.300 . 1 . . . A 81 LYS C . 36018 1 923 . 1 1 81 81 LYS CA C 13 55.773 0.300 . 1 . . . A 81 LYS CA . 36018 1 924 . 1 1 81 81 LYS CB C 13 33.771 0.300 . 1 . . . A 81 LYS CB . 36018 1 925 . 1 1 81 81 LYS CG C 13 25.995 0.300 . 1 . . . A 81 LYS CG . 36018 1 926 . 1 1 81 81 LYS CD C 13 29.366 0.300 . 1 . . . A 81 LYS CD . 36018 1 927 . 1 1 81 81 LYS CE C 13 42.092 0.300 . 1 . . . A 81 LYS CE . 36018 1 928 . 1 1 81 81 LYS N N 15 120.796 0.300 . 1 . . . A 81 LYS N . 36018 1 929 . 1 1 82 82 LEU H H 1 8.493 0.030 . 1 . . . A 82 LEU H . 36018 1 930 . 1 1 82 82 LEU HA H 1 4.478 0.030 . 1 . . . A 82 LEU HA . 36018 1 931 . 1 1 82 82 LEU HB2 H 1 1.457 0.030 . 2 . . . A 82 LEU HB2 . 36018 1 932 . 1 1 82 82 LEU HB3 H 1 1.517 0.030 . 2 . . . A 82 LEU HB3 . 36018 1 933 . 1 1 82 82 LEU HG H 1 1.431 0.030 . 1 . . . A 82 LEU HG . 36018 1 934 . 1 1 82 82 LEU HD11 H 1 0.800 0.030 . 2 . . . A 82 LEU HD11 . 36018 1 935 . 1 1 82 82 LEU HD12 H 1 0.800 0.030 . 2 . . . A 82 LEU HD12 . 36018 1 936 . 1 1 82 82 LEU HD13 H 1 0.800 0.030 . 2 . . . A 82 LEU HD13 . 36018 1 937 . 1 1 82 82 LEU HD21 H 1 0.767 0.030 . 2 . . . A 82 LEU HD21 . 36018 1 938 . 1 1 82 82 LEU HD22 H 1 0.767 0.030 . 2 . . . A 82 LEU HD22 . 36018 1 939 . 1 1 82 82 LEU HD23 H 1 0.767 0.030 . 2 . . . A 82 LEU HD23 . 36018 1 940 . 1 1 82 82 LEU C C 13 176.664 0.300 . 1 . . . A 82 LEU C . 36018 1 941 . 1 1 82 82 LEU CA C 13 53.966 0.300 . 1 . . . A 82 LEU CA . 36018 1 942 . 1 1 82 82 LEU CB C 13 44.248 0.300 . 1 . . . A 82 LEU CB . 36018 1 943 . 1 1 82 82 LEU CG C 13 26.992 0.300 . 1 . . . A 82 LEU CG . 36018 1 944 . 1 1 82 82 LEU CD1 C 13 24.927 0.300 . 2 . . . A 82 LEU CD1 . 36018 1 945 . 1 1 82 82 LEU CD2 C 13 24.222 0.300 . 2 . . . A 82 LEU CD2 . 36018 1 946 . 1 1 82 82 LEU N N 15 124.395 0.300 . 1 . . . A 82 LEU N . 36018 1 947 . 1 1 83 83 TYR H H 1 9.256 0.030 . 1 . . . A 83 TYR H . 36018 1 948 . 1 1 83 83 TYR HA H 1 3.990 0.030 . 1 . . . A 83 TYR HA . 36018 1 949 . 1 1 83 83 TYR HB2 H 1 3.273 0.030 . 2 . . . A 83 TYR HB2 . 36018 1 950 . 1 1 83 83 TYR HB3 H 1 2.875 0.030 . 2 . . . A 83 TYR HB3 . 36018 1 951 . 1 1 83 83 TYR HD1 H 1 6.919 0.030 . 1 . . . A 83 TYR HD1 . 36018 1 952 . 1 1 83 83 TYR HD2 H 1 6.919 0.030 . 1 . . . A 83 TYR HD2 . 36018 1 953 . 1 1 83 83 TYR HE1 H 1 6.620 0.030 . 1 . . . A 83 TYR HE1 . 36018 1 954 . 1 1 83 83 TYR HE2 H 1 6.620 0.030 . 1 . . . A 83 TYR HE2 . 36018 1 955 . 1 1 83 83 TYR C C 13 176.089 0.300 . 1 . . . A 83 TYR C . 36018 1 956 . 1 1 83 83 TYR CA C 13 59.921 0.300 . 1 . . . A 83 TYR CA . 36018 1 957 . 1 1 83 83 TYR CB C 13 35.320 0.300 . 1 . . . A 83 TYR CB . 36018 1 958 . 1 1 83 83 TYR CD1 C 13 132.790 0.300 . 1 . . . A 83 TYR CD1 . 36018 1 959 . 1 1 83 83 TYR CD2 C 13 132.790 0.300 . 1 . . . A 83 TYR CD2 . 36018 1 960 . 1 1 83 83 TYR CE1 C 13 118.278 0.300 . 1 . . . A 83 TYR CE1 . 36018 1 961 . 1 1 83 83 TYR CE2 C 13 118.278 0.300 . 1 . . . A 83 TYR CE2 . 36018 1 962 . 1 1 83 83 TYR N N 15 124.434 0.300 . 1 . . . A 83 TYR N . 36018 1 963 . 1 1 84 84 GLY H H 1 8.501 0.030 . 1 . . . A 84 GLY H . 36018 1 964 . 1 1 84 84 GLY HA2 H 1 4.211 0.030 . 2 . . . A 84 GLY HA2 . 36018 1 965 . 1 1 84 84 GLY HA3 H 1 3.549 0.030 . 2 . . . A 84 GLY HA3 . 36018 1 966 . 1 1 84 84 GLY C C 13 173.689 0.300 . 1 . . . A 84 GLY C . 36018 1 967 . 1 1 84 84 GLY CA C 13 45.377 0.300 . 1 . . . A 84 GLY CA . 36018 1 968 . 1 1 84 84 GLY N N 15 101.668 0.300 . 1 . . . A 84 GLY N . 36018 1 969 . 1 1 85 85 LYS H H 1 7.577 0.030 . 1 . . . A 85 LYS H . 36018 1 970 . 1 1 85 85 LYS HA H 1 4.971 0.030 . 1 . . . A 85 LYS HA . 36018 1 971 . 1 1 85 85 LYS HB2 H 1 1.804 0.030 . 2 . . . A 85 LYS HB2 . 36018 1 972 . 1 1 85 85 LYS HB3 H 1 2.095 0.030 . 2 . . . A 85 LYS HB3 . 36018 1 973 . 1 1 85 85 LYS HG2 H 1 1.504 0.030 . 2 . . . A 85 LYS HG2 . 36018 1 974 . 1 1 85 85 LYS HG3 H 1 1.478 0.030 . 2 . . . A 85 LYS HG3 . 36018 1 975 . 1 1 85 85 LYS HD2 H 1 1.684 0.030 . 2 . . . A 85 LYS HD2 . 36018 1 976 . 1 1 85 85 LYS HD3 H 1 1.746 0.030 . 2 . . . A 85 LYS HD3 . 36018 1 977 . 1 1 85 85 LYS HE2 H 1 3.061 0.030 . 1 . . . A 85 LYS HE2 . 36018 1 978 . 1 1 85 85 LYS HE3 H 1 3.061 0.030 . 1 . . . A 85 LYS HE3 . 36018 1 979 . 1 1 85 85 LYS C C 13 173.246 0.300 . 1 . . . A 85 LYS C . 36018 1 980 . 1 1 85 85 LYS CA C 13 53.011 0.300 . 1 . . . A 85 LYS CA . 36018 1 981 . 1 1 85 85 LYS CB C 13 34.280 0.300 . 1 . . . A 85 LYS CB . 36018 1 982 . 1 1 85 85 LYS CG C 13 24.664 0.300 . 1 . . . A 85 LYS CG . 36018 1 983 . 1 1 85 85 LYS CD C 13 29.453 0.300 . 1 . . . A 85 LYS CD . 36018 1 984 . 1 1 85 85 LYS CE C 13 42.121 0.300 . 1 . . . A 85 LYS CE . 36018 1 985 . 1 1 85 85 LYS N N 15 121.739 0.300 . 1 . . . A 85 LYS N . 36018 1 986 . 1 1 86 86 PRO HA H 1 4.663 0.030 . 1 . . . A 86 PRO HA . 36018 1 987 . 1 1 86 86 PRO HB2 H 1 1.895 0.030 . 2 . . . A 86 PRO HB2 . 36018 1 988 . 1 1 86 86 PRO HB3 H 1 1.978 0.030 . 2 . . . A 86 PRO HB3 . 36018 1 989 . 1 1 86 86 PRO HG2 H 1 2.230 0.030 . 1 . . . A 86 PRO HG2 . 36018 1 990 . 1 1 86 86 PRO HG3 H 1 2.230 0.030 . 1 . . . A 86 PRO HG3 . 36018 1 991 . 1 1 86 86 PRO HD2 H 1 3.751 0.030 . 2 . . . A 86 PRO HD2 . 36018 1 992 . 1 1 86 86 PRO HD3 H 1 3.798 0.030 . 2 . . . A 86 PRO HD3 . 36018 1 993 . 1 1 86 86 PRO C C 13 176.841 0.300 . 1 . . . A 86 PRO C . 36018 1 994 . 1 1 86 86 PRO CA C 13 61.878 0.300 . 1 . . . A 86 PRO CA . 36018 1 995 . 1 1 86 86 PRO CB C 13 31.764 0.300 . 1 . . . A 86 PRO CB . 36018 1 996 . 1 1 86 86 PRO CG C 13 27.354 0.300 . 1 . . . A 86 PRO CG . 36018 1 997 . 1 1 86 86 PRO CD C 13 50.740 0.300 . 1 . . . A 86 PRO CD . 36018 1 998 . 1 1 87 87 ILE H H 1 8.649 0.030 . 1 . . . A 87 ILE H . 36018 1 999 . 1 1 87 87 ILE HA H 1 4.935 0.030 . 1 . . . A 87 ILE HA . 36018 1 1000 . 1 1 87 87 ILE HB H 1 2.015 0.030 . 1 . . . A 87 ILE HB . 36018 1 1001 . 1 1 87 87 ILE HG12 H 1 1.407 0.030 . 2 . . . A 87 ILE HG12 . 36018 1 1002 . 1 1 87 87 ILE HG13 H 1 1.604 0.030 . 2 . . . A 87 ILE HG13 . 36018 1 1003 . 1 1 87 87 ILE HG21 H 1 0.897 0.030 . 1 . . . A 87 ILE HG21 . 36018 1 1004 . 1 1 87 87 ILE HG22 H 1 0.897 0.030 . 1 . . . A 87 ILE HG22 . 36018 1 1005 . 1 1 87 87 ILE HG23 H 1 0.897 0.030 . 1 . . . A 87 ILE HG23 . 36018 1 1006 . 1 1 87 87 ILE HD11 H 1 0.708 0.030 . 1 . . . A 87 ILE HD11 . 36018 1 1007 . 1 1 87 87 ILE HD12 H 1 0.708 0.030 . 1 . . . A 87 ILE HD12 . 36018 1 1008 . 1 1 87 87 ILE HD13 H 1 0.708 0.030 . 1 . . . A 87 ILE HD13 . 36018 1 1009 . 1 1 87 87 ILE C C 13 175.270 0.300 . 1 . . . A 87 ILE C . 36018 1 1010 . 1 1 87 87 ILE CA C 13 60.009 0.300 . 1 . . . A 87 ILE CA . 36018 1 1011 . 1 1 87 87 ILE CB C 13 39.101 0.300 . 1 . . . A 87 ILE CB . 36018 1 1012 . 1 1 87 87 ILE CG1 C 13 24.831 0.300 . 1 . . . A 87 ILE CG1 . 36018 1 1013 . 1 1 87 87 ILE CG2 C 13 18.660 0.300 . 1 . . . A 87 ILE CG2 . 36018 1 1014 . 1 1 87 87 ILE CD1 C 13 13.938 0.300 . 1 . . . A 87 ILE CD1 . 36018 1 1015 . 1 1 87 87 ILE N N 15 120.459 0.300 . 1 . . . A 87 ILE N . 36018 1 1016 . 1 1 88 88 ARG H H 1 8.066 0.030 . 1 . . . A 88 ARG H . 36018 1 1017 . 1 1 88 88 ARG HA H 1 5.340 0.030 . 1 . . . A 88 ARG HA . 36018 1 1018 . 1 1 88 88 ARG HB2 H 1 1.678 0.030 . 2 . . . A 88 ARG HB2 . 36018 1 1019 . 1 1 88 88 ARG HB3 H 1 1.812 0.030 . 2 . . . A 88 ARG HB3 . 36018 1 1020 . 1 1 88 88 ARG HG2 H 1 1.729 0.030 . 2 . . . A 88 ARG HG2 . 36018 1 1021 . 1 1 88 88 ARG HG3 H 1 1.562 0.030 . 2 . . . A 88 ARG HG3 . 36018 1 1022 . 1 1 88 88 ARG HD2 H 1 3.291 0.030 . 1 . . . A 88 ARG HD2 . 36018 1 1023 . 1 1 88 88 ARG HD3 H 1 3.291 0.030 . 1 . . . A 88 ARG HD3 . 36018 1 1024 . 1 1 88 88 ARG C C 13 175.856 0.300 . 1 . . . A 88 ARG C . 36018 1 1025 . 1 1 88 88 ARG CA C 13 52.172 0.300 . 1 . . . A 88 ARG CA . 36018 1 1026 . 1 1 88 88 ARG CB C 13 31.257 0.300 . 1 . . . A 88 ARG CB . 36018 1 1027 . 1 1 88 88 ARG CG C 13 25.906 0.300 . 1 . . . A 88 ARG CG . 36018 1 1028 . 1 1 88 88 ARG CD C 13 42.077 0.300 . 1 . . . A 88 ARG CD . 36018 1 1029 . 1 1 88 88 ARG N N 15 119.006 0.300 . 1 . . . A 88 ARG N . 36018 1 1030 . 1 1 89 89 VAL H H 1 8.944 0.030 . 1 . . . A 89 VAL H . 36018 1 1031 . 1 1 89 89 VAL HA H 1 5.365 0.030 . 1 . . . A 89 VAL HA . 36018 1 1032 . 1 1 89 89 VAL HB H 1 1.906 0.030 . 1 . . . A 89 VAL HB . 36018 1 1033 . 1 1 89 89 VAL HG11 H 1 1.069 0.030 . 2 . . . A 89 VAL HG11 . 36018 1 1034 . 1 1 89 89 VAL HG12 H 1 1.069 0.030 . 2 . . . A 89 VAL HG12 . 36018 1 1035 . 1 1 89 89 VAL HG13 H 1 1.069 0.030 . 2 . . . A 89 VAL HG13 . 36018 1 1036 . 1 1 89 89 VAL HG21 H 1 0.995 0.030 . 2 . . . A 89 VAL HG21 . 36018 1 1037 . 1 1 89 89 VAL HG22 H 1 0.995 0.030 . 2 . . . A 89 VAL HG22 . 36018 1 1038 . 1 1 89 89 VAL HG23 H 1 0.995 0.030 . 2 . . . A 89 VAL HG23 . 36018 1 1039 . 1 1 89 89 VAL C C 13 174.380 0.300 . 1 . . . A 89 VAL C . 36018 1 1040 . 1 1 89 89 VAL CA C 13 60.428 0.300 . 1 . . . A 89 VAL CA . 36018 1 1041 . 1 1 89 89 VAL CB C 13 34.435 0.300 . 1 . . . A 89 VAL CB . 36018 1 1042 . 1 1 89 89 VAL CG1 C 13 22.490 0.300 . 2 . . . A 89 VAL CG1 . 36018 1 1043 . 1 1 89 89 VAL CG2 C 13 22.685 0.300 . 2 . . . A 89 VAL CG2 . 36018 1 1044 . 1 1 89 89 VAL N N 15 123.155 0.300 . 1 . . . A 89 VAL N . 36018 1 1045 . 1 1 90 90 ASN H H 1 9.113 0.030 . 1 . . . A 90 ASN H . 36018 1 1046 . 1 1 90 90 ASN HA H 1 5.006 0.030 . 1 . . . A 90 ASN HA . 36018 1 1047 . 1 1 90 90 ASN HB2 H 1 2.776 0.030 . 2 . . . A 90 ASN HB2 . 36018 1 1048 . 1 1 90 90 ASN HB3 H 1 2.935 0.030 . 2 . . . A 90 ASN HB3 . 36018 1 1049 . 1 1 90 90 ASN HD21 H 1 6.651 0.030 . 2 . . . A 90 ASN HD21 . 36018 1 1050 . 1 1 90 90 ASN HD22 H 1 7.482 0.030 . 2 . . . A 90 ASN HD22 . 36018 1 1051 . 1 1 90 90 ASN C C 13 173.973 0.300 . 1 . . . A 90 ASN C . 36018 1 1052 . 1 1 90 90 ASN CA C 13 51.713 0.300 . 1 . . . A 90 ASN CA . 36018 1 1053 . 1 1 90 90 ASN CB C 13 42.572 0.300 . 1 . . . A 90 ASN CB . 36018 1 1054 . 1 1 90 90 ASN N N 15 121.797 0.300 . 1 . . . A 90 ASN N . 36018 1 1055 . 1 1 90 90 ASN ND2 N 15 111.442 0.300 . 1 . . . A 90 ASN ND2 . 36018 1 1056 . 1 1 91 91 LYS H H 1 9.049 0.030 . 1 . . . A 91 LYS H . 36018 1 1057 . 1 1 91 91 LYS HA H 1 4.375 0.030 . 1 . . . A 91 LYS HA . 36018 1 1058 . 1 1 91 91 LYS HB2 H 1 1.800 0.030 . 2 . . . A 91 LYS HB2 . 36018 1 1059 . 1 1 91 91 LYS HB3 H 1 2.151 0.030 . 2 . . . A 91 LYS HB3 . 36018 1 1060 . 1 1 91 91 LYS HG2 H 1 1.640 0.030 . 2 . . . A 91 LYS HG2 . 36018 1 1061 . 1 1 91 91 LYS HG3 H 1 1.711 0.030 . 2 . . . A 91 LYS HG3 . 36018 1 1062 . 1 1 91 91 LYS HD2 H 1 1.763 0.030 . 1 . . . A 91 LYS HD2 . 36018 1 1063 . 1 1 91 91 LYS HD3 H 1 1.763 0.030 . 1 . . . A 91 LYS HD3 . 36018 1 1064 . 1 1 91 91 LYS HE2 H 1 3.026 0.030 . 1 . . . A 91 LYS HE2 . 36018 1 1065 . 1 1 91 91 LYS HE3 H 1 3.026 0.030 . 1 . . . A 91 LYS HE3 . 36018 1 1066 . 1 1 91 91 LYS C C 13 177.710 0.300 . 1 . . . A 91 LYS C . 36018 1 1067 . 1 1 91 91 LYS CA C 13 57.670 0.300 . 1 . . . A 91 LYS CA . 36018 1 1068 . 1 1 91 91 LYS CB C 13 31.764 0.300 . 1 . . . A 91 LYS CB . 36018 1 1069 . 1 1 91 91 LYS CG C 13 24.668 0.300 . 1 . . . A 91 LYS CG . 36018 1 1070 . 1 1 91 91 LYS CD C 13 28.204 0.300 . 1 . . . A 91 LYS CD . 36018 1 1071 . 1 1 91 91 LYS CE C 13 41.582 0.300 . 1 . . . A 91 LYS CE . 36018 1 1072 . 1 1 91 91 LYS N N 15 121.606 0.300 . 1 . . . A 91 LYS N . 36018 1 1073 . 1 1 92 92 ALA H H 1 8.645 0.030 . 1 . . . A 92 ALA H . 36018 1 1074 . 1 1 92 92 ALA HA H 1 4.295 0.030 . 1 . . . A 92 ALA HA . 36018 1 1075 . 1 1 92 92 ALA HB1 H 1 1.488 0.030 . 1 . . . A 92 ALA HB1 . 36018 1 1076 . 1 1 92 92 ALA HB2 H 1 1.488 0.030 . 1 . . . A 92 ALA HB2 . 36018 1 1077 . 1 1 92 92 ALA HB3 H 1 1.488 0.030 . 1 . . . A 92 ALA HB3 . 36018 1 1078 . 1 1 92 92 ALA C C 13 178.566 0.300 . 1 . . . A 92 ALA C . 36018 1 1079 . 1 1 92 92 ALA CA C 13 55.030 0.300 . 1 . . . A 92 ALA CA . 36018 1 1080 . 1 1 92 92 ALA CB C 13 18.554 0.300 . 1 . . . A 92 ALA CB . 36018 1 1081 . 1 1 92 92 ALA N N 15 126.612 0.300 . 1 . . . A 92 ALA N . 36018 1 1082 . 1 1 93 93 SER H H 1 8.580 0.030 . 1 . . . A 93 SER H . 36018 1 1083 . 1 1 93 93 SER HA H 1 4.249 0.030 . 1 . . . A 93 SER HA . 36018 1 1084 . 1 1 93 93 SER HB2 H 1 3.918 0.030 . 2 . . . A 93 SER HB2 . 36018 1 1085 . 1 1 93 93 SER HB3 H 1 3.778 0.030 . 2 . . . A 93 SER HB3 . 36018 1 1086 . 1 1 93 93 SER C C 13 174.879 0.300 . 1 . . . A 93 SER C . 36018 1 1087 . 1 1 93 93 SER CA C 13 58.907 0.300 . 1 . . . A 93 SER CA . 36018 1 1088 . 1 1 93 93 SER CB C 13 63.155 0.300 . 1 . . . A 93 SER CB . 36018 1 1089 . 1 1 93 93 SER N N 15 112.432 0.300 . 1 . . . A 93 SER N . 36018 1 1090 . 1 1 94 94 ALA H H 1 7.673 0.030 . 1 . . . A 94 ALA H . 36018 1 1091 . 1 1 94 94 ALA HA H 1 4.240 0.030 . 1 . . . A 94 ALA HA . 36018 1 1092 . 1 1 94 94 ALA HB1 H 1 1.342 0.030 . 1 . . . A 94 ALA HB1 . 36018 1 1093 . 1 1 94 94 ALA HB2 H 1 1.342 0.030 . 1 . . . A 94 ALA HB2 . 36018 1 1094 . 1 1 94 94 ALA HB3 H 1 1.342 0.030 . 1 . . . A 94 ALA HB3 . 36018 1 1095 . 1 1 94 94 ALA C C 13 177.708 0.300 . 1 . . . A 94 ALA C . 36018 1 1096 . 1 1 94 94 ALA CA C 13 52.930 0.300 . 1 . . . A 94 ALA CA . 36018 1 1097 . 1 1 94 94 ALA CB C 13 18.975 0.300 . 1 . . . A 94 ALA CB . 36018 1 1098 . 1 1 94 94 ALA N N 15 124.219 0.300 . 1 . . . A 94 ALA N . 36018 1 1099 . 1 1 95 95 HIS H H 1 7.837 0.030 . 1 . . . A 95 HIS H . 36018 1 1100 . 1 1 95 95 HIS HA H 1 4.305 0.030 . 1 . . . A 95 HIS HA . 36018 1 1101 . 1 1 95 95 HIS HB2 H 1 2.766 0.030 . 2 . . . A 95 HIS HB2 . 36018 1 1102 . 1 1 95 95 HIS HB3 H 1 3.012 0.030 . 2 . . . A 95 HIS HB3 . 36018 1 1103 . 1 1 95 95 HIS HD2 H 1 6.822 0.030 . 1 . . . A 95 HIS HD2 . 36018 1 1104 . 1 1 95 95 HIS HE1 H 1 7.421 0.030 . 1 . . . A 95 HIS HE1 . 36018 1 1105 . 1 1 95 95 HIS C C 13 175.009 0.300 . 1 . . . A 95 HIS C . 36018 1 1106 . 1 1 95 95 HIS CA C 13 56.812 0.300 . 1 . . . A 95 HIS CA . 36018 1 1107 . 1 1 95 95 HIS CB C 13 30.839 0.300 . 1 . . . A 95 HIS CB . 36018 1 1108 . 1 1 95 95 HIS CD2 C 13 119.711 0.300 . 1 . . . A 95 HIS CD2 . 36018 1 1109 . 1 1 95 95 HIS CE1 C 13 137.999 0.300 . 1 . . . A 95 HIS CE1 . 36018 1 1110 . 1 1 95 95 HIS N N 15 117.930 0.300 . 1 . . . A 95 HIS N . 36018 1 1111 . 1 1 96 96 ASN H H 1 8.265 0.030 . 1 . . . A 96 ASN H . 36018 1 1112 . 1 1 96 96 ASN HA H 1 4.520 0.030 . 1 . . . A 96 ASN HA . 36018 1 1113 . 1 1 96 96 ASN HB2 H 1 2.645 0.030 . 2 . . . A 96 ASN HB2 . 36018 1 1114 . 1 1 96 96 ASN HB3 H 1 2.714 0.030 . 2 . . . A 96 ASN HB3 . 36018 1 1115 . 1 1 96 96 ASN HD21 H 1 6.784 0.030 . 2 . . . A 96 ASN HD21 . 36018 1 1116 . 1 1 96 96 ASN HD22 H 1 7.494 0.030 . 2 . . . A 96 ASN HD22 . 36018 1 1117 . 1 1 96 96 ASN C C 13 177.219 0.300 . 1 . . . A 96 ASN C . 36018 1 1118 . 1 1 96 96 ASN CA C 13 53.419 0.300 . 1 . . . A 96 ASN CA . 36018 1 1119 . 1 1 96 96 ASN CB C 13 38.569 0.300 . 1 . . . A 96 ASN CB . 36018 1 1120 . 1 1 96 96 ASN N N 15 118.641 0.300 . 1 . . . A 96 ASN N . 36018 1 1121 . 1 1 96 96 ASN ND2 N 15 111.854 0.300 . 1 . . . A 96 ASN ND2 . 36018 1 1122 . 1 1 98 98 ASN H H 1 8.250 0.030 . 1 . . . A 98 ASN H . 36018 1 1123 . 1 1 98 98 ASN HA H 1 4.635 0.030 . 1 . . . A 98 ASN HA . 36018 1 1124 . 1 1 98 98 ASN HB2 H 1 2.678 0.030 . 2 . . . A 98 ASN HB2 . 36018 1 1125 . 1 1 98 98 ASN HB3 H 1 2.799 0.030 . 2 . . . A 98 ASN HB3 . 36018 1 1126 . 1 1 98 98 ASN HD21 H 1 6.871 0.030 . 2 . . . A 98 ASN HD21 . 36018 1 1127 . 1 1 98 98 ASN HD22 H 1 7.525 0.030 . 2 . . . A 98 ASN HD22 . 36018 1 1128 . 1 1 98 98 ASN C C 13 175.274 0.300 . 1 . . . A 98 ASN C . 36018 1 1129 . 1 1 98 98 ASN CA C 13 53.463 0.300 . 1 . . . A 98 ASN CA . 36018 1 1130 . 1 1 98 98 ASN CB C 13 38.612 0.300 . 1 . . . A 98 ASN CB . 36018 1 1131 . 1 1 98 98 ASN ND2 N 15 112.889 0.300 . 1 . . . A 98 ASN ND2 . 36018 1 1132 . 1 1 99 99 LEU H H 1 8.031 0.030 . 1 . . . A 99 LEU H . 36018 1 1133 . 1 1 99 99 LEU HA H 1 4.307 0.030 . 1 . . . A 99 LEU HA . 36018 1 1134 . 1 1 99 99 LEU HB2 H 1 1.552 0.030 . 2 . . . A 99 LEU HB2 . 36018 1 1135 . 1 1 99 99 LEU HB3 H 1 1.609 0.030 . 2 . . . A 99 LEU HB3 . 36018 1 1136 . 1 1 99 99 LEU HG H 1 1.536 0.030 . 1 . . . A 99 LEU HG . 36018 1 1137 . 1 1 99 99 LEU HD11 H 1 0.768 0.030 . 2 . . . A 99 LEU HD11 . 36018 1 1138 . 1 1 99 99 LEU HD12 H 1 0.768 0.030 . 2 . . . A 99 LEU HD12 . 36018 1 1139 . 1 1 99 99 LEU HD13 H 1 0.768 0.030 . 2 . . . A 99 LEU HD13 . 36018 1 1140 . 1 1 99 99 LEU HD21 H 1 0.845 0.030 . 2 . . . A 99 LEU HD21 . 36018 1 1141 . 1 1 99 99 LEU HD22 H 1 0.845 0.030 . 2 . . . A 99 LEU HD22 . 36018 1 1142 . 1 1 99 99 LEU HD23 H 1 0.845 0.030 . 2 . . . A 99 LEU HD23 . 36018 1 1143 . 1 1 99 99 LEU C C 13 177.380 0.300 . 1 . . . A 99 LEU C . 36018 1 1144 . 1 1 99 99 LEU CA C 13 55.352 0.300 . 1 . . . A 99 LEU CA . 36018 1 1145 . 1 1 99 99 LEU CB C 13 42.160 0.300 . 1 . . . A 99 LEU CB . 36018 1 1146 . 1 1 99 99 LEU CG C 13 26.854 0.300 . 1 . . . A 99 LEU CG . 36018 1 1147 . 1 1 99 99 LEU CD1 C 13 23.200 0.300 . 2 . . . A 99 LEU CD1 . 36018 1 1148 . 1 1 99 99 LEU CD2 C 13 25.080 0.300 . 2 . . . A 99 LEU CD2 . 36018 1 1149 . 1 1 99 99 LEU N N 15 122.065 0.300 . 1 . . . A 99 LEU N . 36018 1 1150 . 1 1 100 100 SER H H 1 8.151 0.030 . 1 . . . A 100 SER H . 36018 1 1151 . 1 1 100 100 SER HA H 1 4.533 0.030 . 1 . . . A 100 SER HA . 36018 1 1152 . 1 1 100 100 SER HB2 H 1 3.859 0.030 . 2 . . . A 100 SER HB2 . 36018 1 1153 . 1 1 100 100 SER HB3 H 1 3.894 0.030 . 2 . . . A 100 SER HB3 . 36018 1 1154 . 1 1 100 100 SER C C 13 174.448 0.300 . 1 . . . A 100 SER C . 36018 1 1155 . 1 1 100 100 SER CA C 13 58.358 0.300 . 1 . . . A 100 SER CA . 36018 1 1156 . 1 1 100 100 SER CB C 13 63.976 0.300 . 1 . . . A 100 SER CB . 36018 1 1157 . 1 1 100 100 SER N N 15 115.609 0.300 . 1 . . . A 100 SER N . 36018 1 1158 . 1 1 101 101 GLY H H 1 8.187 0.030 . 1 . . . A 101 GLY H . 36018 1 1159 . 1 1 101 101 GLY HA2 H 1 4.064 0.030 . 2 . . . A 101 GLY HA2 . 36018 1 1160 . 1 1 101 101 GLY HA3 H 1 4.014 0.030 . 2 . . . A 101 GLY HA3 . 36018 1 1161 . 1 1 101 101 GLY CA C 13 44.662 0.300 . 1 . . . A 101 GLY CA . 36018 1 1162 . 1 1 101 101 GLY N N 15 110.724 0.300 . 1 . . . A 101 GLY N . 36018 1 stop_ save_