data_36264 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36264 _Entry.Title ; Solution structure of the intermembrane space domain of the mitochondrial import protein Tim21 from S. cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-06-13 _Entry.Accession_date 2019-06-13 _Entry.Last_release_date 2019-06-13 _Entry.Original_release_date 2019-06-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36264 stop_ 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 S. Bala S. . . . 36264 2 S. Shinya S. . . . 36264 3 A. Srivastava A. . . . 36264 4 A. Shimada A. . . . 36264 5 N. Kobayashi N. . . . 36264 6 C. Kojima C. . . . 36264 7 F. Tama F. . . . 36264 8 O. Miyashita O. . . . 36264 9 D. Kohda D. . . . 36264 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Protein transport' . 36264 membrane . 36264 mitochondria . 36264 translocation . 36264 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36264 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 36264 '15N chemical shifts' 120 36264 '1H chemical shifts' 786 36264 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 . . 2020-07-15 . original BMRB . 36264 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6K8Q . 36264 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36264 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31449839 _Citation.DOI 10.1016/j.bbagen.2019.129418 _Citation.Full_citation . _Citation.Title ; Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta Gen. Subj.' _Citation.Journal_name_full . _Citation.Journal_volume 1864 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1872-8006 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 129418 _Citation.Page_last 129418 _Citation.Year 2019 _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 S. Bala S. . . . 36264 1 2 S. Shinya S. . . . 36264 1 3 A. Srivastava A. . . . 36264 1 4 M. Ishikawa M. . . . 36264 1 5 A. Shimada A. . . . 36264 1 6 N. Kobayashi N. . . . 36264 1 7 C. Kojima C. . . . 36264 1 8 F. Tama F. . . . 36264 1 9 O. Miyashita O. . . . 36264 1 10 D. Kohda D. . . . 36264 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36264 _Assembly.ID 1 _Assembly.Name 'Mitochondrial import inner membrane translocase subunit TIM21' _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 . . . . . . 36264 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36264 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GSDTQLFNRAVSMVEKNKDI RSLLQCDDGITGKERLKAYG ELITNDKWTRNRPIVSTKKL DKEGRTHHYMRFHVESKKKI ALVHLEAKESKQNYQPDFIN MYVDVPGEKRYYLIK ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'intermembrane space domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13571.599 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 36264 1 2 2 SER . 36264 1 3 3 ASP . 36264 1 4 4 THR . 36264 1 5 5 GLN . 36264 1 6 6 LEU . 36264 1 7 7 PHE . 36264 1 8 8 ASN . 36264 1 9 9 ARG . 36264 1 10 10 ALA . 36264 1 11 11 VAL . 36264 1 12 12 SER . 36264 1 13 13 MET . 36264 1 14 14 VAL . 36264 1 15 15 GLU . 36264 1 16 16 LYS . 36264 1 17 17 ASN . 36264 1 18 18 LYS . 36264 1 19 19 ASP . 36264 1 20 20 ILE . 36264 1 21 21 ARG . 36264 1 22 22 SER . 36264 1 23 23 LEU . 36264 1 24 24 LEU . 36264 1 25 25 GLN . 36264 1 26 26 CYS . 36264 1 27 27 ASP . 36264 1 28 28 ASP . 36264 1 29 29 GLY . 36264 1 30 30 ILE . 36264 1 31 31 THR . 36264 1 32 32 GLY . 36264 1 33 33 LYS . 36264 1 34 34 GLU . 36264 1 35 35 ARG . 36264 1 36 36 LEU . 36264 1 37 37 LYS . 36264 1 38 38 ALA . 36264 1 39 39 TYR . 36264 1 40 40 GLY . 36264 1 41 41 GLU . 36264 1 42 42 LEU . 36264 1 43 43 ILE . 36264 1 44 44 THR . 36264 1 45 45 ASN . 36264 1 46 46 ASP . 36264 1 47 47 LYS . 36264 1 48 48 TRP . 36264 1 49 49 THR . 36264 1 50 50 ARG . 36264 1 51 51 ASN . 36264 1 52 52 ARG . 36264 1 53 53 PRO . 36264 1 54 54 ILE . 36264 1 55 55 VAL . 36264 1 56 56 SER . 36264 1 57 57 THR . 36264 1 58 58 LYS . 36264 1 59 59 LYS . 36264 1 60 60 LEU . 36264 1 61 61 ASP . 36264 1 62 62 LYS . 36264 1 63 63 GLU . 36264 1 64 64 GLY . 36264 1 65 65 ARG . 36264 1 66 66 THR . 36264 1 67 67 HIS . 36264 1 68 68 HIS . 36264 1 69 69 TYR . 36264 1 70 70 MET . 36264 1 71 71 ARG . 36264 1 72 72 PHE . 36264 1 73 73 HIS . 36264 1 74 74 VAL . 36264 1 75 75 GLU . 36264 1 76 76 SER . 36264 1 77 77 LYS . 36264 1 78 78 LYS . 36264 1 79 79 LYS . 36264 1 80 80 ILE . 36264 1 81 81 ALA . 36264 1 82 82 LEU . 36264 1 83 83 VAL . 36264 1 84 84 HIS . 36264 1 85 85 LEU . 36264 1 86 86 GLU . 36264 1 87 87 ALA . 36264 1 88 88 LYS . 36264 1 89 89 GLU . 36264 1 90 90 SER . 36264 1 91 91 LYS . 36264 1 92 92 GLN . 36264 1 93 93 ASN . 36264 1 94 94 TYR . 36264 1 95 95 GLN . 36264 1 96 96 PRO . 36264 1 97 97 ASP . 36264 1 98 98 PHE . 36264 1 99 99 ILE . 36264 1 100 100 ASN . 36264 1 101 101 MET . 36264 1 102 102 TYR . 36264 1 103 103 VAL . 36264 1 104 104 ASP . 36264 1 105 105 VAL . 36264 1 106 106 PRO . 36264 1 107 107 GLY . 36264 1 108 108 GLU . 36264 1 109 109 LYS . 36264 1 110 110 ARG . 36264 1 111 111 TYR . 36264 1 112 112 TYR . 36264 1 113 113 LEU . 36264 1 114 114 ILE . 36264 1 115 115 LYS . 36264 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 36264 1 . SER 2 2 36264 1 . ASP 3 3 36264 1 . THR 4 4 36264 1 . GLN 5 5 36264 1 . LEU 6 6 36264 1 . PHE 7 7 36264 1 . ASN 8 8 36264 1 . ARG 9 9 36264 1 . ALA 10 10 36264 1 . VAL 11 11 36264 1 . SER 12 12 36264 1 . MET 13 13 36264 1 . VAL 14 14 36264 1 . GLU 15 15 36264 1 . LYS 16 16 36264 1 . ASN 17 17 36264 1 . LYS 18 18 36264 1 . ASP 19 19 36264 1 . ILE 20 20 36264 1 . ARG 21 21 36264 1 . SER 22 22 36264 1 . LEU 23 23 36264 1 . LEU 24 24 36264 1 . GLN 25 25 36264 1 . CYS 26 26 36264 1 . ASP 27 27 36264 1 . ASP 28 28 36264 1 . GLY 29 29 36264 1 . ILE 30 30 36264 1 . THR 31 31 36264 1 . GLY 32 32 36264 1 . LYS 33 33 36264 1 . GLU 34 34 36264 1 . ARG 35 35 36264 1 . LEU 36 36 36264 1 . LYS 37 37 36264 1 . ALA 38 38 36264 1 . TYR 39 39 36264 1 . GLY 40 40 36264 1 . GLU 41 41 36264 1 . LEU 42 42 36264 1 . ILE 43 43 36264 1 . THR 44 44 36264 1 . ASN 45 45 36264 1 . ASP 46 46 36264 1 . LYS 47 47 36264 1 . TRP 48 48 36264 1 . THR 49 49 36264 1 . ARG 50 50 36264 1 . ASN 51 51 36264 1 . ARG 52 52 36264 1 . PRO 53 53 36264 1 . ILE 54 54 36264 1 . VAL 55 55 36264 1 . SER 56 56 36264 1 . THR 57 57 36264 1 . LYS 58 58 36264 1 . LYS 59 59 36264 1 . LEU 60 60 36264 1 . ASP 61 61 36264 1 . LYS 62 62 36264 1 . GLU 63 63 36264 1 . GLY 64 64 36264 1 . ARG 65 65 36264 1 . THR 66 66 36264 1 . HIS 67 67 36264 1 . HIS 68 68 36264 1 . TYR 69 69 36264 1 . MET 70 70 36264 1 . ARG 71 71 36264 1 . PHE 72 72 36264 1 . HIS 73 73 36264 1 . VAL 74 74 36264 1 . GLU 75 75 36264 1 . SER 76 76 36264 1 . LYS 77 77 36264 1 . LYS 78 78 36264 1 . LYS 79 79 36264 1 . ILE 80 80 36264 1 . ALA 81 81 36264 1 . LEU 82 82 36264 1 . VAL 83 83 36264 1 . HIS 84 84 36264 1 . LEU 85 85 36264 1 . GLU 86 86 36264 1 . ALA 87 87 36264 1 . LYS 88 88 36264 1 . GLU 89 89 36264 1 . SER 90 90 36264 1 . LYS 91 91 36264 1 . GLN 92 92 36264 1 . ASN 93 93 36264 1 . TYR 94 94 36264 1 . GLN 95 95 36264 1 . PRO 96 96 36264 1 . ASP 97 97 36264 1 . PHE 98 98 36264 1 . ILE 99 99 36264 1 . ASN 100 100 36264 1 . MET 101 101 36264 1 . TYR 102 102 36264 1 . VAL 103 103 36264 1 . ASP 104 104 36264 1 . VAL 105 105 36264 1 . PRO 106 106 36264 1 . GLY 107 107 36264 1 . GLU 108 108 36264 1 . LYS 109 109 36264 1 . ARG 110 110 36264 1 . TYR 111 111 36264 1 . TYR 112 112 36264 1 . LEU 113 113 36264 1 . ILE 114 114 36264 1 . LYS 115 115 36264 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 36264 _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 . 559292 organism . 'Saccharomyces cerevisiae (strain ATCC 204508 / S288c)' "Baker's yeast" . . Eukaryota Fungi Saccharomyces 'Saccharomyces cerevisiae' . . . . . . . . . . . 'TIM21, YGR033C' . 36264 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 36264 _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 BL21' . . 511693 . . . . . vector . . pET28b(+) . . . 36264 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36264 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '323 uM [U-13C; U-15N] Tim21, 20 mM TRIS, 50 mM sodium chloride, 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 Tim21 '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 323 . . uM . . . . 36264 1 2 TRIS 'natural abundance' . . . . . buffer 20 . . mM . . . . 36264 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36264 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36264 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36264 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 36264 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 36264 1 pH 6.5 . pH 36264 1 pressure 1 . atm 36264 1 temperature 300 . K 36264 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36264 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36264 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 36264 1 . 'structure calculation' 36264 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36264 _Software.ID 2 _Software.Type . _Software.Name MagRO-NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Naohiro Kobayashi, Osaka University' . . 36264 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 36264 2 . 'data analysis' 36264 2 . 'peak picking' 36264 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36264 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36264 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 36264 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36264 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36264 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 36264 4 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 36264 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36264 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 36264 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 III' . 600 . . . 36264 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 950 . . . 36264 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 36264 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36264 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36264 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36264 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36264 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36264 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36264 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36264 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36264 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36264 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36264 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36264 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 36264 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 internal indirect 0.251449530 . . . . . 36264 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36264 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36264 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 36264 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36264 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36264 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36264 1 4 '3D HNCO' 1 $sample_1 isotropic 36264 1 5 '3D HNCACB' 1 $sample_1 isotropic 36264 1 6 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36264 1 7 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36264 1 8 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36264 1 9 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36264 1 10 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36264 1 11 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36264 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 2 2 SER HA H 1 4.530 0.030 . 1 . . . . A 2 SER HA . 36264 1 2 . 1 . 1 2 2 SER HB2 H 1 3.899 0.030 . 2 . . . . A 2 SER HB2 . 36264 1 3 . 1 . 1 2 2 SER HB3 H 1 4.001 0.030 . 2 . . . . A 2 SER HB3 . 36264 1 4 . 1 . 1 2 2 SER HG H 1 2.148 0.030 . 1 . . . . A 2 SER HG . 36264 1 5 . 1 . 1 2 2 SER CA C 13 59.174 0.300 . 1 . . . . A 2 SER CA . 36264 1 6 . 1 . 1 2 2 SER CB C 13 63.774 0.300 . 1 . . . . A 2 SER CB . 36264 1 7 . 1 . 1 3 3 ASP HA H 1 4.513 0.030 . 1 . . . . A 3 ASP HA . 36264 1 8 . 1 . 1 3 3 ASP HB2 H 1 2.711 0.030 . 1 . . . . A 3 ASP HB2 . 36264 1 9 . 1 . 1 3 3 ASP HB3 H 1 2.711 0.030 . 1 . . . . A 3 ASP HB3 . 36264 1 10 . 1 . 1 3 3 ASP C C 13 177.819 0.300 . 1 . . . . A 3 ASP C . 36264 1 11 . 1 . 1 3 3 ASP CA C 13 56.918 0.300 . 1 . . . . A 3 ASP CA . 36264 1 12 . 1 . 1 3 3 ASP CB C 13 40.185 0.300 . 1 . . . . A 3 ASP CB . 36264 1 13 . 1 . 1 4 4 THR H H 1 8.109 0.030 . 1 . . . . A 4 THR H . 36264 1 14 . 1 . 1 4 4 THR HA H 1 3.976 0.030 . 1 . . . . A 4 THR HA . 36264 1 15 . 1 . 1 4 4 THR HB H 1 4.181 0.030 . 1 . . . . A 4 THR HB . 36264 1 16 . 1 . 1 4 4 THR HG21 H 1 1.301 0.030 . 1 . . . . A 4 THR HG21 . 36264 1 17 . 1 . 1 4 4 THR HG22 H 1 1.301 0.030 . 1 . . . . A 4 THR HG22 . 36264 1 18 . 1 . 1 4 4 THR HG23 H 1 1.301 0.030 . 1 . . . . A 4 THR HG23 . 36264 1 19 . 1 . 1 4 4 THR C C 13 175.882 0.300 . 1 . . . . A 4 THR C . 36264 1 20 . 1 . 1 4 4 THR CA C 13 66.169 0.300 . 1 . . . . A 4 THR CA . 36264 1 21 . 1 . 1 4 4 THR CB C 13 68.769 0.300 . 1 . . . . A 4 THR CB . 36264 1 22 . 1 . 1 4 4 THR CG2 C 13 22.238 0.300 . 1 . . . . A 4 THR CG2 . 36264 1 23 . 1 . 1 4 4 THR N N 15 116.099 0.300 . 1 . . . . A 4 THR N . 36264 1 24 . 1 . 1 5 5 GLN H H 1 7.880 0.030 . 1 . . . . A 5 GLN H . 36264 1 25 . 1 . 1 5 5 GLN HA H 1 4.144 0.030 . 1 . . . . A 5 GLN HA . 36264 1 26 . 1 . 1 5 5 GLN HB2 H 1 2.148 0.030 . 1 . . . . A 5 GLN HB2 . 36264 1 27 . 1 . 1 5 5 GLN HB3 H 1 2.148 0.030 . 1 . . . . A 5 GLN HB3 . 36264 1 28 . 1 . 1 5 5 GLN HG2 H 1 2.433 0.030 . 2 . . . . A 5 GLN HG2 . 36264 1 29 . 1 . 1 5 5 GLN HG3 H 1 2.474 0.030 . 2 . . . . A 5 GLN HG3 . 36264 1 30 . 1 . 1 5 5 GLN HE21 H 1 7.538 0.030 . 1 . . . . A 5 GLN HE21 . 36264 1 31 . 1 . 1 5 5 GLN HE22 H 1 7.538 0.030 . 1 . . . . A 5 GLN HE22 . 36264 1 32 . 1 . 1 5 5 GLN C C 13 178.466 0.300 . 1 . . . . A 5 GLN C . 36264 1 33 . 1 . 1 5 5 GLN CA C 13 59.091 0.300 . 1 . . . . A 5 GLN CA . 36264 1 34 . 1 . 1 5 5 GLN CB C 13 28.500 0.300 . 1 . . . . A 5 GLN CB . 36264 1 35 . 1 . 1 5 5 GLN CG C 13 34.301 0.300 . 1 . . . . A 5 GLN CG . 36264 1 36 . 1 . 1 5 5 GLN N N 15 120.348 0.300 . 1 . . . . A 5 GLN N . 36264 1 37 . 1 . 1 5 5 GLN NE2 N 15 112.116 0.300 . 1 . . . . A 5 GLN NE2 . 36264 1 38 . 1 . 1 6 6 LEU H H 1 7.759 0.030 . 1 . . . . A 6 LEU H . 36264 1 39 . 1 . 1 6 6 LEU HA H 1 4.025 0.030 . 1 . . . . A 6 LEU HA . 36264 1 40 . 1 . 1 6 6 LEU HB2 H 1 1.666 0.030 . 1 . . . . A 6 LEU HB2 . 36264 1 41 . 1 . 1 6 6 LEU HB3 H 1 1.666 0.030 . 1 . . . . A 6 LEU HB3 . 36264 1 42 . 1 . 1 6 6 LEU HD11 H 1 0.525 0.030 . 1 . . . . A 6 LEU HD11 . 36264 1 43 . 1 . 1 6 6 LEU HD12 H 1 0.525 0.030 . 1 . . . . A 6 LEU HD12 . 36264 1 44 . 1 . 1 6 6 LEU HD13 H 1 0.525 0.030 . 1 . . . . A 6 LEU HD13 . 36264 1 45 . 1 . 1 6 6 LEU HD21 H 1 0.580 0.030 . 1 . . . . A 6 LEU HD21 . 36264 1 46 . 1 . 1 6 6 LEU HD22 H 1 0.580 0.030 . 1 . . . . A 6 LEU HD22 . 36264 1 47 . 1 . 1 6 6 LEU HD23 H 1 0.580 0.030 . 1 . . . . A 6 LEU HD23 . 36264 1 48 . 1 . 1 6 6 LEU C C 13 177.913 0.300 . 1 . . . . A 6 LEU C . 36264 1 49 . 1 . 1 6 6 LEU CA C 13 58.561 0.300 . 1 . . . . A 6 LEU CA . 36264 1 50 . 1 . 1 6 6 LEU CB C 13 42.197 0.300 . 1 . . . . A 6 LEU CB . 36264 1 51 . 1 . 1 6 6 LEU CD1 C 13 24.711 0.300 . 1 . . . . A 6 LEU CD1 . 36264 1 52 . 1 . 1 6 6 LEU CD2 C 13 24.711 0.300 . 1 . . . . A 6 LEU CD2 . 36264 1 53 . 1 . 1 6 6 LEU N N 15 121.056 0.300 . 1 . . . . A 6 LEU N . 36264 1 54 . 1 . 1 7 7 PHE H H 1 7.967 0.030 . 1 . . . . A 7 PHE H . 36264 1 55 . 1 . 1 7 7 PHE HA H 1 3.923 0.030 . 1 . . . . A 7 PHE HA . 36264 1 56 . 1 . 1 7 7 PHE HB2 H 1 2.981 0.030 . 1 . . . . A 7 PHE HB2 . 36264 1 57 . 1 . 1 7 7 PHE HB3 H 1 2.981 0.030 . 1 . . . . A 7 PHE HB3 . 36264 1 58 . 1 . 1 7 7 PHE HD1 H 1 6.630 0.030 . 1 . . . . A 7 PHE HD1 . 36264 1 59 . 1 . 1 7 7 PHE HD2 H 1 6.630 0.030 . 1 . . . . A 7 PHE HD2 . 36264 1 60 . 1 . 1 7 7 PHE HE1 H 1 6.754 0.030 . 1 . . . . A 7 PHE HE1 . 36264 1 61 . 1 . 1 7 7 PHE HE2 H 1 6.754 0.030 . 1 . . . . A 7 PHE HE2 . 36264 1 62 . 1 . 1 7 7 PHE HZ H 1 6.588 0.030 . 1 . . . . A 7 PHE HZ . 36264 1 63 . 1 . 1 7 7 PHE C C 13 175.999 0.300 . 1 . . . . A 7 PHE C . 36264 1 64 . 1 . 1 7 7 PHE CA C 13 60.704 0.300 . 1 . . . . A 7 PHE CA . 36264 1 65 . 1 . 1 7 7 PHE CB C 13 39.104 0.300 . 1 . . . . A 7 PHE CB . 36264 1 66 . 1 . 1 7 7 PHE CD1 C 13 131.893 0.300 . 1 . . . . A 7 PHE CD1 . 36264 1 67 . 1 . 1 7 7 PHE CD2 C 13 131.893 0.300 . 1 . . . . A 7 PHE CD2 . 36264 1 68 . 1 . 1 7 7 PHE CE1 C 13 129.050 0.300 . 1 . . . . A 7 PHE CE1 . 36264 1 69 . 1 . 1 7 7 PHE CE2 C 13 129.050 0.300 . 1 . . . . A 7 PHE CE2 . 36264 1 70 . 1 . 1 7 7 PHE CZ C 13 130.846 0.300 . 1 . . . . A 7 PHE CZ . 36264 1 71 . 1 . 1 7 7 PHE N N 15 118.145 0.300 . 1 . . . . A 7 PHE N . 36264 1 72 . 1 . 1 8 8 ASN H H 1 8.578 0.030 . 1 . . . . A 8 ASN H . 36264 1 73 . 1 . 1 8 8 ASN HA H 1 3.962 0.030 . 1 . . . . A 8 ASN HA . 36264 1 74 . 1 . 1 8 8 ASN HB2 H 1 2.730 0.030 . 2 . . . . A 8 ASN HB2 . 36264 1 75 . 1 . 1 8 8 ASN HB3 H 1 2.840 0.030 . 2 . . . . A 8 ASN HB3 . 36264 1 76 . 1 . 1 8 8 ASN HD21 H 1 6.860 0.030 . 2 . . . . A 8 ASN HD21 . 36264 1 77 . 1 . 1 8 8 ASN HD22 H 1 7.464 0.030 . 2 . . . . A 8 ASN HD22 . 36264 1 78 . 1 . 1 8 8 ASN CA C 13 56.011 0.300 . 1 . . . . A 8 ASN CA . 36264 1 79 . 1 . 1 8 8 ASN CB C 13 37.714 0.300 . 1 . . . . A 8 ASN CB . 36264 1 80 . 1 . 1 8 8 ASN N N 15 117.071 0.300 . 1 . . . . A 8 ASN N . 36264 1 81 . 1 . 1 8 8 ASN ND2 N 15 110.427 0.300 . 1 . . . . A 8 ASN ND2 . 36264 1 82 . 1 . 1 9 9 ARG H H 1 8.065 0.030 . 1 . . . . A 9 ARG H . 36264 1 83 . 1 . 1 9 9 ARG HA H 1 4.023 0.030 . 1 . . . . A 9 ARG HA . 36264 1 84 . 1 . 1 9 9 ARG HB2 H 1 2.077 0.030 . 1 . . . . A 9 ARG HB2 . 36264 1 85 . 1 . 1 9 9 ARG HB3 H 1 2.077 0.030 . 1 . . . . A 9 ARG HB3 . 36264 1 86 . 1 . 1 9 9 ARG HG2 H 1 1.662 0.030 . 2 . . . . A 9 ARG HG2 . 36264 1 87 . 1 . 1 9 9 ARG HG3 H 1 1.976 0.030 . 2 . . . . A 9 ARG HG3 . 36264 1 88 . 1 . 1 9 9 ARG HD2 H 1 3.033 0.030 . 2 . . . . A 9 ARG HD2 . 36264 1 89 . 1 . 1 9 9 ARG HD3 H 1 3.212 0.030 . 2 . . . . A 9 ARG HD3 . 36264 1 90 . 1 . 1 9 9 ARG HE H 1 7.226 0.030 . 1 . . . . A 9 ARG HE . 36264 1 91 . 1 . 1 9 9 ARG C C 13 178.843 0.300 . 1 . . . . A 9 ARG C . 36264 1 92 . 1 . 1 9 9 ARG CA C 13 59.055 0.300 . 1 . . . . A 9 ARG CA . 36264 1 93 . 1 . 1 9 9 ARG CB C 13 31.632 0.300 . 1 . . . . A 9 ARG CB . 36264 1 94 . 1 . 1 9 9 ARG CG C 13 27.127 0.300 . 1 . . . . A 9 ARG CG . 36264 1 95 . 1 . 1 9 9 ARG CD C 13 44.723 0.300 . 1 . . . . A 9 ARG CD . 36264 1 96 . 1 . 1 9 9 ARG N N 15 119.963 0.300 . 1 . . . . A 9 ARG N . 36264 1 97 . 1 . 1 10 10 ALA H H 1 8.263 0.030 . 1 . . . . A 10 ALA H . 36264 1 98 . 1 . 1 10 10 ALA HA H 1 4.005 0.030 . 1 . . . . A 10 ALA HA . 36264 1 99 . 1 . 1 10 10 ALA HB1 H 1 1.514 0.030 . 1 . . . . A 10 ALA HB1 . 36264 1 100 . 1 . 1 10 10 ALA HB2 H 1 1.514 0.030 . 1 . . . . A 10 ALA HB2 . 36264 1 101 . 1 . 1 10 10 ALA HB3 H 1 1.514 0.030 . 1 . . . . A 10 ALA HB3 . 36264 1 102 . 1 . 1 10 10 ALA C C 13 179.051 0.300 . 1 . . . . A 10 ALA C . 36264 1 103 . 1 . 1 10 10 ALA CA C 13 55.416 0.300 . 1 . . . . A 10 ALA CA . 36264 1 104 . 1 . 1 10 10 ALA CB C 13 19.724 0.300 . 1 . . . . A 10 ALA CB . 36264 1 105 . 1 . 1 10 10 ALA N N 15 123.000 0.300 . 1 . . . . A 10 ALA N . 36264 1 106 . 1 . 1 11 11 VAL H H 1 8.689 0.030 . 1 . . . . A 11 VAL H . 36264 1 107 . 1 . 1 11 11 VAL HA H 1 3.259 0.030 . 1 . . . . A 11 VAL HA . 36264 1 108 . 1 . 1 11 11 VAL HB H 1 1.437 0.030 . 1 . . . . A 11 VAL HB . 36264 1 109 . 1 . 1 11 11 VAL HG11 H 1 0.563 0.030 . 2 . . . . A 11 VAL HG11 . 36264 1 110 . 1 . 1 11 11 VAL HG12 H 1 0.563 0.030 . 2 . . . . A 11 VAL HG12 . 36264 1 111 . 1 . 1 11 11 VAL HG13 H 1 0.563 0.030 . 2 . . . . A 11 VAL HG13 . 36264 1 112 . 1 . 1 11 11 VAL HG21 H 1 0.097 0.030 . 2 . . . . A 11 VAL HG21 . 36264 1 113 . 1 . 1 11 11 VAL HG22 H 1 0.097 0.030 . 2 . . . . A 11 VAL HG22 . 36264 1 114 . 1 . 1 11 11 VAL HG23 H 1 0.097 0.030 . 2 . . . . A 11 VAL HG23 . 36264 1 115 . 1 . 1 11 11 VAL C C 13 177.532 0.300 . 1 . . . . A 11 VAL C . 36264 1 116 . 1 . 1 11 11 VAL CA C 13 67.136 0.300 . 1 . . . . A 11 VAL CA . 36264 1 117 . 1 . 1 11 11 VAL CB C 13 31.277 0.300 . 1 . . . . A 11 VAL CB . 36264 1 118 . 1 . 1 11 11 VAL CG1 C 13 20.712 0.300 . 2 . . . . A 11 VAL CG1 . 36264 1 119 . 1 . 1 11 11 VAL CG2 C 13 23.880 0.300 . 2 . . . . A 11 VAL CG2 . 36264 1 120 . 1 . 1 11 11 VAL N N 15 118.540 0.300 . 1 . . . . A 11 VAL N . 36264 1 121 . 1 . 1 12 12 SER H H 1 7.355 0.030 . 1 . . . . A 12 SER H . 36264 1 122 . 1 . 1 12 12 SER HA H 1 4.239 0.030 . 1 . . . . A 12 SER HA . 36264 1 123 . 1 . 1 12 12 SER HB2 H 1 3.929 0.030 . 1 . . . . A 12 SER HB2 . 36264 1 124 . 1 . 1 12 12 SER HB3 H 1 3.929 0.030 . 1 . . . . A 12 SER HB3 . 36264 1 125 . 1 . 1 12 12 SER C C 13 176.214 0.300 . 1 . . . . A 12 SER C . 36264 1 126 . 1 . 1 12 12 SER CA C 13 61.420 0.300 . 1 . . . . A 12 SER CA . 36264 1 127 . 1 . 1 12 12 SER CB C 13 63.177 0.300 . 1 . . . . A 12 SER CB . 36264 1 128 . 1 . 1 12 12 SER N N 15 113.108 0.300 . 1 . . . . A 12 SER N . 36264 1 129 . 1 . 1 13 13 MET H H 1 7.352 0.030 . 1 . . . . A 13 MET H . 36264 1 130 . 1 . 1 13 13 MET HA H 1 3.979 0.030 . 1 . . . . A 13 MET HA . 36264 1 131 . 1 . 1 13 13 MET HB2 H 1 2.075 0.030 . 2 . . . . A 13 MET HB2 . 36264 1 132 . 1 . 1 13 13 MET HB3 H 1 2.206 0.030 . 2 . . . . A 13 MET HB3 . 36264 1 133 . 1 . 1 13 13 MET HG2 H 1 2.512 0.030 . 2 . . . . A 13 MET HG2 . 36264 1 134 . 1 . 1 13 13 MET HG3 H 1 2.701 0.030 . 2 . . . . A 13 MET HG3 . 36264 1 135 . 1 . 1 13 13 MET C C 13 178.488 0.300 . 1 . . . . A 13 MET C . 36264 1 136 . 1 . 1 13 13 MET CA C 13 59.087 0.300 . 1 . . . . A 13 MET CA . 36264 1 137 . 1 . 1 13 13 MET CB C 13 33.822 0.300 . 1 . . . . A 13 MET CB . 36264 1 138 . 1 . 1 13 13 MET CG C 13 31.928 0.300 . 1 . . . . A 13 MET CG . 36264 1 139 . 1 . 1 13 13 MET N N 15 117.659 0.300 . 1 . . . . A 13 MET N . 36264 1 140 . 1 . 1 14 14 VAL H H 1 7.788 0.030 . 1 . . . . A 14 VAL H . 36264 1 141 . 1 . 1 14 14 VAL HA H 1 3.458 0.030 . 1 . . . . A 14 VAL HA . 36264 1 142 . 1 . 1 14 14 VAL HB H 1 2.189 0.030 . 1 . . . . A 14 VAL HB . 36264 1 143 . 1 . 1 14 14 VAL HG11 H 1 0.794 0.030 . 2 . . . . A 14 VAL HG11 . 36264 1 144 . 1 . 1 14 14 VAL HG12 H 1 0.794 0.030 . 2 . . . . A 14 VAL HG12 . 36264 1 145 . 1 . 1 14 14 VAL HG13 H 1 0.794 0.030 . 2 . . . . A 14 VAL HG13 . 36264 1 146 . 1 . 1 14 14 VAL HG21 H 1 0.961 0.030 . 2 . . . . A 14 VAL HG21 . 36264 1 147 . 1 . 1 14 14 VAL HG22 H 1 0.961 0.030 . 2 . . . . A 14 VAL HG22 . 36264 1 148 . 1 . 1 14 14 VAL HG23 H 1 0.961 0.030 . 2 . . . . A 14 VAL HG23 . 36264 1 149 . 1 . 1 14 14 VAL C C 13 176.676 0.300 . 1 . . . . A 14 VAL C . 36264 1 150 . 1 . 1 14 14 VAL CA C 13 66.615 0.300 . 1 . . . . A 14 VAL CA . 36264 1 151 . 1 . 1 14 14 VAL CB C 13 31.925 0.300 . 1 . . . . A 14 VAL CB . 36264 1 152 . 1 . 1 14 14 VAL CG1 C 13 21.682 0.300 . 2 . . . . A 14 VAL CG1 . 36264 1 153 . 1 . 1 14 14 VAL CG2 C 13 23.461 0.300 . 2 . . . . A 14 VAL CG2 . 36264 1 154 . 1 . 1 14 14 VAL N N 15 117.915 0.300 . 1 . . . . A 14 VAL N . 36264 1 155 . 1 . 1 15 15 GLU H H 1 8.439 0.030 . 1 . . . . A 15 GLU H . 36264 1 156 . 1 . 1 15 15 GLU HA H 1 3.723 0.030 . 1 . . . . A 15 GLU HA . 36264 1 157 . 1 . 1 15 15 GLU HB2 H 1 1.858 0.030 . 2 . . . . A 15 GLU HB2 . 36264 1 158 . 1 . 1 15 15 GLU HB3 H 1 2.127 0.030 . 2 . . . . A 15 GLU HB3 . 36264 1 159 . 1 . 1 15 15 GLU HG2 H 1 2.303 0.030 . 1 . . . . A 15 GLU HG2 . 36264 1 160 . 1 . 1 15 15 GLU HG3 H 1 2.303 0.030 . 1 . . . . A 15 GLU HG3 . 36264 1 161 . 1 . 1 15 15 GLU C C 13 177.613 0.300 . 1 . . . . A 15 GLU C . 36264 1 162 . 1 . 1 15 15 GLU CA C 13 58.594 0.300 . 1 . . . . A 15 GLU CA . 36264 1 163 . 1 . 1 15 15 GLU CB C 13 30.005 0.300 . 1 . . . . A 15 GLU CB . 36264 1 164 . 1 . 1 15 15 GLU CG C 13 36.316 0.300 . 1 . . . . A 15 GLU CG . 36264 1 165 . 1 . 1 15 15 GLU N N 15 113.391 0.300 . 1 . . . . A 15 GLU N . 36264 1 166 . 1 . 1 16 16 LYS H H 1 7.143 0.030 . 1 . . . . A 16 LYS H . 36264 1 167 . 1 . 1 16 16 LYS HA H 1 4.322 0.030 . 1 . . . . A 16 LYS HA . 36264 1 168 . 1 . 1 16 16 LYS HB2 H 1 1.842 0.030 . 1 . . . . A 16 LYS HB2 . 36264 1 169 . 1 . 1 16 16 LYS HB3 H 1 1.842 0.030 . 1 . . . . A 16 LYS HB3 . 36264 1 170 . 1 . 1 16 16 LYS HG2 H 1 1.629 0.030 . 1 . . . . A 16 LYS HG2 . 36264 1 171 . 1 . 1 16 16 LYS HG3 H 1 1.629 0.030 . 1 . . . . A 16 LYS HG3 . 36264 1 172 . 1 . 1 16 16 LYS C C 13 176.145 0.300 . 1 . . . . A 16 LYS C . 36264 1 173 . 1 . 1 16 16 LYS CA C 13 56.317 0.300 . 1 . . . . A 16 LYS CA . 36264 1 174 . 1 . 1 16 16 LYS CB C 13 33.125 0.300 . 1 . . . . A 16 LYS CB . 36264 1 175 . 1 . 1 16 16 LYS CG C 13 25.228 0.300 . 1 . . . . A 16 LYS CG . 36264 1 176 . 1 . 1 16 16 LYS CE C 13 42.171 0.300 . 1 . . . . A 16 LYS CE . 36264 1 177 . 1 . 1 16 16 LYS N N 15 114.207 0.300 . 1 . . . . A 16 LYS N . 36264 1 178 . 1 . 1 17 17 ASN H H 1 7.313 0.030 . 1 . . . . A 17 ASN H . 36264 1 179 . 1 . 1 17 17 ASN HA H 1 4.657 0.030 . 1 . . . . A 17 ASN HA . 36264 1 180 . 1 . 1 17 17 ASN HB2 H 1 2.794 0.030 . 1 . . . . A 17 ASN HB2 . 36264 1 181 . 1 . 1 17 17 ASN HB3 H 1 2.794 0.030 . 1 . . . . A 17 ASN HB3 . 36264 1 182 . 1 . 1 17 17 ASN HD21 H 1 7.381 0.030 . 2 . . . . A 17 ASN HD21 . 36264 1 183 . 1 . 1 17 17 ASN HD22 H 1 7.901 0.030 . 2 . . . . A 17 ASN HD22 . 36264 1 184 . 1 . 1 17 17 ASN C C 13 174.652 0.300 . 1 . . . . A 17 ASN C . 36264 1 185 . 1 . 1 17 17 ASN CA C 13 54.291 0.300 . 1 . . . . A 17 ASN CA . 36264 1 186 . 1 . 1 17 17 ASN CB C 13 39.770 0.300 . 1 . . . . A 17 ASN CB . 36264 1 187 . 1 . 1 17 17 ASN N N 15 121.128 0.300 . 1 . . . . A 17 ASN N . 36264 1 188 . 1 . 1 17 17 ASN ND2 N 15 113.868 0.300 . 1 . . . . A 17 ASN ND2 . 36264 1 189 . 1 . 1 18 18 LYS H H 1 8.911 0.030 . 1 . . . . A 18 LYS H . 36264 1 190 . 1 . 1 18 18 LYS HA H 1 3.789 0.030 . 1 . . . . A 18 LYS HA . 36264 1 191 . 1 . 1 18 18 LYS HB2 H 1 1.887 0.030 . 1 . . . . A 18 LYS HB2 . 36264 1 192 . 1 . 1 18 18 LYS HB3 H 1 1.887 0.030 . 1 . . . . A 18 LYS HB3 . 36264 1 193 . 1 . 1 18 18 LYS HG2 H 1 1.455 0.030 . 2 . . . . A 18 LYS HG2 . 36264 1 194 . 1 . 1 18 18 LYS HG3 H 1 1.525 0.030 . 2 . . . . A 18 LYS HG3 . 36264 1 195 . 1 . 1 18 18 LYS HD2 H 1 1.733 0.030 . 1 . . . . A 18 LYS HD2 . 36264 1 196 . 1 . 1 18 18 LYS HD3 H 1 1.733 0.030 . 1 . . . . A 18 LYS HD3 . 36264 1 197 . 1 . 1 18 18 LYS HE2 H 1 3.043 0.030 . 1 . . . . A 18 LYS HE2 . 36264 1 198 . 1 . 1 18 18 LYS HE3 H 1 3.043 0.030 . 1 . . . . A 18 LYS HE3 . 36264 1 199 . 1 . 1 18 18 LYS C C 13 178.476 0.300 . 1 . . . . A 18 LYS C . 36264 1 200 . 1 . 1 18 18 LYS CA C 13 59.876 0.300 . 1 . . . . A 18 LYS CA . 36264 1 201 . 1 . 1 18 18 LYS CB C 13 32.428 0.300 . 1 . . . . A 18 LYS CB . 36264 1 202 . 1 . 1 18 18 LYS CG C 13 24.791 0.300 . 1 . . . . A 18 LYS CG . 36264 1 203 . 1 . 1 18 18 LYS CD C 13 29.215 0.300 . 1 . . . . A 18 LYS CD . 36264 1 204 . 1 . 1 18 18 LYS CE C 13 42.119 0.300 . 1 . . . . A 18 LYS CE . 36264 1 205 . 1 . 1 18 18 LYS N N 15 128.198 0.300 . 1 . . . . A 18 LYS N . 36264 1 206 . 1 . 1 19 19 ASP H H 1 7.817 0.030 . 1 . . . . A 19 ASP H . 36264 1 207 . 1 . 1 19 19 ASP HA H 1 4.401 0.030 . 1 . . . . A 19 ASP HA . 36264 1 208 . 1 . 1 19 19 ASP HB2 H 1 2.409 0.030 . 2 . . . . A 19 ASP HB2 . 36264 1 209 . 1 . 1 19 19 ASP HB3 H 1 2.899 0.030 . 2 . . . . A 19 ASP HB3 . 36264 1 210 . 1 . 1 19 19 ASP C C 13 179.341 0.300 . 1 . . . . A 19 ASP C . 36264 1 211 . 1 . 1 19 19 ASP CA C 13 57.277 0.300 . 1 . . . . A 19 ASP CA . 36264 1 212 . 1 . 1 19 19 ASP CB C 13 39.783 0.300 . 1 . . . . A 19 ASP CB . 36264 1 213 . 1 . 1 19 19 ASP N N 15 120.424 0.300 . 1 . . . . A 19 ASP N . 36264 1 214 . 1 . 1 20 20 ILE H H 1 8.495 0.030 . 1 . . . . A 20 ILE H . 36264 1 215 . 1 . 1 20 20 ILE HA H 1 3.327 0.030 . 1 . . . . A 20 ILE HA . 36264 1 216 . 1 . 1 20 20 ILE HB H 1 2.097 0.030 . 1 . . . . A 20 ILE HB . 36264 1 217 . 1 . 1 20 20 ILE HG12 H 1 0.675 0.030 . 2 . . . . A 20 ILE HG12 . 36264 1 218 . 1 . 1 20 20 ILE HG13 H 1 1.076 0.030 . 2 . . . . A 20 ILE HG13 . 36264 1 219 . 1 . 1 20 20 ILE HG21 H 1 0.651 0.030 . 1 . . . . A 20 ILE HG21 . 36264 1 220 . 1 . 1 20 20 ILE HG22 H 1 0.651 0.030 . 1 . . . . A 20 ILE HG22 . 36264 1 221 . 1 . 1 20 20 ILE HG23 H 1 0.651 0.030 . 1 . . . . A 20 ILE HG23 . 36264 1 222 . 1 . 1 20 20 ILE HD11 H 1 0.645 0.030 . 1 . . . . A 20 ILE HD11 . 36264 1 223 . 1 . 1 20 20 ILE HD12 H 1 0.645 0.030 . 1 . . . . A 20 ILE HD12 . 36264 1 224 . 1 . 1 20 20 ILE HD13 H 1 0.645 0.030 . 1 . . . . A 20 ILE HD13 . 36264 1 225 . 1 . 1 20 20 ILE C C 13 177.816 0.300 . 1 . . . . A 20 ILE C . 36264 1 226 . 1 . 1 20 20 ILE CA C 13 63.646 0.300 . 1 . . . . A 20 ILE CA . 36264 1 227 . 1 . 1 20 20 ILE CB C 13 35.669 0.300 . 1 . . . . A 20 ILE CB . 36264 1 228 . 1 . 1 20 20 ILE CG1 C 13 28.515 0.300 . 1 . . . . A 20 ILE CG1 . 36264 1 229 . 1 . 1 20 20 ILE CG2 C 13 17.926 0.300 . 1 . . . . A 20 ILE CG2 . 36264 1 230 . 1 . 1 20 20 ILE CD1 C 13 12.810 0.300 . 1 . . . . A 20 ILE CD1 . 36264 1 231 . 1 . 1 20 20 ILE N N 15 122.109 0.300 . 1 . . . . A 20 ILE N . 36264 1 232 . 1 . 1 21 21 ARG H H 1 8.289 0.030 . 1 . . . . A 21 ARG H . 36264 1 233 . 1 . 1 21 21 ARG HA H 1 3.899 0.030 . 1 . . . . A 21 ARG HA . 36264 1 234 . 1 . 1 21 21 ARG HB2 H 1 1.945 0.030 . 1 . . . . A 21 ARG HB2 . 36264 1 235 . 1 . 1 21 21 ARG HB3 H 1 1.945 0.030 . 1 . . . . A 21 ARG HB3 . 36264 1 236 . 1 . 1 21 21 ARG HD2 H 1 3.871 0.030 . 1 . . . . A 21 ARG HD2 . 36264 1 237 . 1 . 1 21 21 ARG HD3 H 1 3.871 0.030 . 1 . . . . A 21 ARG HD3 . 36264 1 238 . 1 . 1 21 21 ARG C C 13 178.652 0.300 . 1 . . . . A 21 ARG C . 36264 1 239 . 1 . 1 21 21 ARG CA C 13 60.967 0.300 . 1 . . . . A 21 ARG CA . 36264 1 240 . 1 . 1 21 21 ARG CB C 13 30.406 0.300 . 1 . . . . A 21 ARG CB . 36264 1 241 . 1 . 1 21 21 ARG N N 15 118.304 0.300 . 1 . . . . A 21 ARG N . 36264 1 242 . 1 . 1 22 22 SER H H 1 7.604 0.030 . 1 . . . . A 22 SER H . 36264 1 243 . 1 . 1 22 22 SER HA H 1 4.468 0.030 . 1 . . . . A 22 SER HA . 36264 1 244 . 1 . 1 22 22 SER HB2 H 1 4.058 0.030 . 1 . . . . A 22 SER HB2 . 36264 1 245 . 1 . 1 22 22 SER HB3 H 1 4.058 0.030 . 1 . . . . A 22 SER HB3 . 36264 1 246 . 1 . 1 22 22 SER HG H 1 7.789 0.030 . 1 . . . . A 22 SER HG . 36264 1 247 . 1 . 1 22 22 SER C C 13 179.177 0.300 . 1 . . . . A 22 SER C . 36264 1 248 . 1 . 1 22 22 SER CA C 13 61.559 0.300 . 1 . . . . A 22 SER CA . 36264 1 249 . 1 . 1 22 22 SER CB C 13 62.709 0.300 . 1 . . . . A 22 SER CB . 36264 1 250 . 1 . 1 22 22 SER N N 15 112.705 0.300 . 1 . . . . A 22 SER N . 36264 1 251 . 1 . 1 23 23 LEU H H 1 8.124 0.030 . 1 . . . . A 23 LEU H . 36264 1 252 . 1 . 1 23 23 LEU HA H 1 4.097 0.030 . 1 . . . . A 23 LEU HA . 36264 1 253 . 1 . 1 23 23 LEU HB2 H 1 1.301 0.030 . 2 . . . . A 23 LEU HB2 . 36264 1 254 . 1 . 1 23 23 LEU HB3 H 1 1.950 0.030 . 2 . . . . A 23 LEU HB3 . 36264 1 255 . 1 . 1 23 23 LEU HG H 1 1.807 0.030 . 1 . . . . A 23 LEU HG . 36264 1 256 . 1 . 1 23 23 LEU HD11 H 1 0.860 0.030 . 2 . . . . A 23 LEU HD11 . 36264 1 257 . 1 . 1 23 23 LEU HD12 H 1 0.860 0.030 . 2 . . . . A 23 LEU HD12 . 36264 1 258 . 1 . 1 23 23 LEU HD13 H 1 0.860 0.030 . 2 . . . . A 23 LEU HD13 . 36264 1 259 . 1 . 1 23 23 LEU HD21 H 1 0.796 0.030 . 2 . . . . A 23 LEU HD21 . 36264 1 260 . 1 . 1 23 23 LEU HD22 H 1 0.796 0.030 . 2 . . . . A 23 LEU HD22 . 36264 1 261 . 1 . 1 23 23 LEU HD23 H 1 0.796 0.030 . 2 . . . . A 23 LEU HD23 . 36264 1 262 . 1 . 1 23 23 LEU C C 13 178.873 0.300 . 1 . . . . A 23 LEU C . 36264 1 263 . 1 . 1 23 23 LEU CA C 13 58.042 0.300 . 1 . . . . A 23 LEU CA . 36264 1 264 . 1 . 1 23 23 LEU CB C 13 42.845 0.300 . 1 . . . . A 23 LEU CB . 36264 1 265 . 1 . 1 23 23 LEU CG C 13 26.472 0.300 . 1 . . . . A 23 LEU CG . 36264 1 266 . 1 . 1 23 23 LEU CD1 C 13 22.841 0.300 . 2 . . . . A 23 LEU CD1 . 36264 1 267 . 1 . 1 23 23 LEU CD2 C 13 24.894 0.300 . 2 . . . . A 23 LEU CD2 . 36264 1 268 . 1 . 1 23 23 LEU N N 15 125.393 0.300 . 1 . . . . A 23 LEU N . 36264 1 269 . 1 . 1 24 24 LEU H H 1 8.083 0.030 . 1 . . . . A 24 LEU H . 36264 1 270 . 1 . 1 24 24 LEU HA H 1 3.964 0.030 . 1 . . . . A 24 LEU HA . 36264 1 271 . 1 . 1 24 24 LEU HB2 H 1 1.909 0.030 . 2 . . . . A 24 LEU HB2 . 36264 1 272 . 1 . 1 24 24 LEU HB3 H 1 1.473 0.030 . 2 . . . . A 24 LEU HB3 . 36264 1 273 . 1 . 1 24 24 LEU HG H 1 0.571 0.030 . 1 . . . . A 24 LEU HG . 36264 1 274 . 1 . 1 24 24 LEU HD11 H 1 0.683 0.030 . 1 . . . . A 24 LEU HD11 . 36264 1 275 . 1 . 1 24 24 LEU HD12 H 1 0.683 0.030 . 1 . . . . A 24 LEU HD12 . 36264 1 276 . 1 . 1 24 24 LEU HD13 H 1 0.683 0.030 . 1 . . . . A 24 LEU HD13 . 36264 1 277 . 1 . 1 24 24 LEU C C 13 174.929 0.300 . 1 . . . . A 24 LEU C . 36264 1 278 . 1 . 1 24 24 LEU CA C 13 54.693 0.300 . 1 . . . . A 24 LEU CA . 36264 1 279 . 1 . 1 24 24 LEU CB C 13 43.087 0.300 . 1 . . . . A 24 LEU CB . 36264 1 280 . 1 . 1 24 24 LEU CG C 13 27.014 0.300 . 1 . . . . A 24 LEU CG . 36264 1 281 . 1 . 1 24 24 LEU CD1 C 13 23.773 0.300 . 1 . . . . A 24 LEU CD1 . 36264 1 282 . 1 . 1 24 24 LEU CD2 C 13 23.773 0.300 . 1 . . . . A 24 LEU CD2 . 36264 1 283 . 1 . 1 24 24 LEU N N 15 114.860 0.300 . 1 . . . . A 24 LEU N . 36264 1 284 . 1 . 1 25 25 GLN H H 1 8.058 0.030 . 1 . . . . A 25 GLN H . 36264 1 285 . 1 . 1 25 25 GLN HA H 1 3.953 0.030 . 1 . . . . A 25 GLN HA . 36264 1 286 . 1 . 1 25 25 GLN HB2 H 1 2.070 0.030 . 1 . . . . A 25 GLN HB2 . 36264 1 287 . 1 . 1 25 25 GLN HB3 H 1 2.070 0.030 . 1 . . . . A 25 GLN HB3 . 36264 1 288 . 1 . 1 25 25 GLN HG2 H 1 2.217 0.030 . 2 . . . . A 25 GLN HG2 . 36264 1 289 . 1 . 1 25 25 GLN HG3 H 1 2.371 0.030 . 2 . . . . A 25 GLN HG3 . 36264 1 290 . 1 . 1 25 25 GLN HE21 H 1 6.742 0.030 . 2 . . . . A 25 GLN HE21 . 36264 1 291 . 1 . 1 25 25 GLN HE22 H 1 7.902 0.030 . 2 . . . . A 25 GLN HE22 . 36264 1 292 . 1 . 1 25 25 GLN C C 13 176.888 0.300 . 1 . . . . A 25 GLN C . 36264 1 293 . 1 . 1 25 25 GLN CA C 13 56.023 0.300 . 1 . . . . A 25 GLN CA . 36264 1 294 . 1 . 1 25 25 GLN CB C 13 25.733 0.300 . 1 . . . . A 25 GLN CB . 36264 1 295 . 1 . 1 25 25 GLN CG C 13 33.818 0.300 . 1 . . . . A 25 GLN CG . 36264 1 296 . 1 . 1 25 25 GLN N N 15 116.492 0.300 . 1 . . . . A 25 GLN N . 36264 1 297 . 1 . 1 25 25 GLN NE2 N 15 111.384 0.300 . 1 . . . . A 25 GLN NE2 . 36264 1 298 . 1 . 1 26 26 CYS H H 1 7.917 0.030 . 1 . . . . A 26 CYS H . 36264 1 299 . 1 . 1 26 26 CYS HA H 1 4.225 0.030 . 1 . . . . A 26 CYS HA . 36264 1 300 . 1 . 1 26 26 CYS HB2 H 1 2.658 0.030 . 1 . . . . A 26 CYS HB2 . 36264 1 301 . 1 . 1 26 26 CYS HB3 H 1 2.658 0.030 . 1 . . . . A 26 CYS HB3 . 36264 1 302 . 1 . 1 26 26 CYS C C 13 175.268 0.300 . 1 . . . . A 26 CYS C . 36264 1 303 . 1 . 1 26 26 CYS CA C 13 62.088 0.300 . 1 . . . . A 26 CYS CA . 36264 1 304 . 1 . 1 26 26 CYS CB C 13 28.229 0.300 . 1 . . . . A 26 CYS CB . 36264 1 305 . 1 . 1 26 26 CYS N N 15 116.430 0.300 . 1 . . . . A 26 CYS N . 36264 1 306 . 1 . 1 27 27 ASP H H 1 9.980 0.030 . 1 . . . . A 27 ASP H . 36264 1 307 . 1 . 1 27 27 ASP HA H 1 4.711 0.030 . 1 . . . . A 27 ASP HA . 36264 1 308 . 1 . 1 27 27 ASP HB2 H 1 2.649 0.030 . 2 . . . . A 27 ASP HB2 . 36264 1 309 . 1 . 1 27 27 ASP HB3 H 1 2.876 0.030 . 2 . . . . A 27 ASP HB3 . 36264 1 310 . 1 . 1 27 27 ASP C C 13 173.763 0.300 . 1 . . . . A 27 ASP C . 36264 1 311 . 1 . 1 27 27 ASP CA C 13 52.808 0.300 . 1 . . . . A 27 ASP CA . 36264 1 312 . 1 . 1 27 27 ASP CB C 13 39.584 0.300 . 1 . . . . A 27 ASP CB . 36264 1 313 . 1 . 1 27 27 ASP N N 15 125.292 0.300 . 1 . . . . A 27 ASP N . 36264 1 314 . 1 . 1 28 28 ASP H H 1 7.599 0.030 . 1 . . . . A 28 ASP H . 36264 1 315 . 1 . 1 28 28 ASP HA H 1 5.224 0.030 . 1 . . . . A 28 ASP HA . 36264 1 316 . 1 . 1 28 28 ASP HB2 H 1 2.557 0.030 . 1 . . . . A 28 ASP HB2 . 36264 1 317 . 1 . 1 28 28 ASP HB3 H 1 2.557 0.030 . 1 . . . . A 28 ASP HB3 . 36264 1 318 . 1 . 1 28 28 ASP C C 13 176.278 0.300 . 1 . . . . A 28 ASP C . 36264 1 319 . 1 . 1 28 28 ASP CA C 13 52.718 0.300 . 1 . . . . A 28 ASP CA . 36264 1 320 . 1 . 1 28 28 ASP CB C 13 41.982 0.300 . 1 . . . . A 28 ASP CB . 36264 1 321 . 1 . 1 28 28 ASP N N 15 124.658 0.300 . 1 . . . . A 28 ASP N . 36264 1 322 . 1 . 1 29 29 GLY H H 1 8.003 0.030 . 1 . . . . A 29 GLY H . 36264 1 323 . 1 . 1 29 29 GLY HA2 H 1 4.055 0.030 . 2 . . . . A 29 GLY HA2 . 36264 1 324 . 1 . 1 29 29 GLY HA3 H 1 4.352 0.030 . 2 . . . . A 29 GLY HA3 . 36264 1 325 . 1 . 1 29 29 GLY C C 13 175.137 0.300 . 1 . . . . A 29 GLY C . 36264 1 326 . 1 . 1 29 29 GLY CA C 13 45.335 0.300 . 1 . . . . A 29 GLY CA . 36264 1 327 . 1 . 1 29 29 GLY N N 15 110.018 0.300 . 1 . . . . A 29 GLY N . 36264 1 328 . 1 . 1 30 30 ILE H H 1 8.654 0.030 . 1 . . . . A 30 ILE H . 36264 1 329 . 1 . 1 30 30 ILE HA H 1 4.080 0.030 . 1 . . . . A 30 ILE HA . 36264 1 330 . 1 . 1 30 30 ILE HB H 1 1.967 0.030 . 1 . . . . A 30 ILE HB . 36264 1 331 . 1 . 1 30 30 ILE HG12 H 1 1.327 0.030 . 2 . . . . A 30 ILE HG12 . 36264 1 332 . 1 . 1 30 30 ILE HG13 H 1 1.533 0.030 . 2 . . . . A 30 ILE HG13 . 36264 1 333 . 1 . 1 30 30 ILE HG21 H 1 1.015 0.030 . 1 . . . . A 30 ILE HG21 . 36264 1 334 . 1 . 1 30 30 ILE HG22 H 1 1.015 0.030 . 1 . . . . A 30 ILE HG22 . 36264 1 335 . 1 . 1 30 30 ILE HG23 H 1 1.015 0.030 . 1 . . . . A 30 ILE HG23 . 36264 1 336 . 1 . 1 30 30 ILE HD11 H 1 0.944 0.030 . 1 . . . . A 30 ILE HD11 . 36264 1 337 . 1 . 1 30 30 ILE HD12 H 1 0.944 0.030 . 1 . . . . A 30 ILE HD12 . 36264 1 338 . 1 . 1 30 30 ILE HD13 H 1 0.944 0.030 . 1 . . . . A 30 ILE HD13 . 36264 1 339 . 1 . 1 30 30 ILE C C 13 177.635 0.300 . 1 . . . . A 30 ILE C . 36264 1 340 . 1 . 1 30 30 ILE CA C 13 63.710 0.300 . 1 . . . . A 30 ILE CA . 36264 1 341 . 1 . 1 30 30 ILE CB C 13 38.388 0.300 . 1 . . . . A 30 ILE CB . 36264 1 342 . 1 . 1 30 30 ILE CG1 C 13 27.860 0.300 . 1 . . . . A 30 ILE CG1 . 36264 1 343 . 1 . 1 30 30 ILE CG2 C 13 17.677 0.300 . 1 . . . . A 30 ILE CG2 . 36264 1 344 . 1 . 1 30 30 ILE CD1 C 13 13.447 0.300 . 1 . . . . A 30 ILE CD1 . 36264 1 345 . 1 . 1 30 30 ILE N N 15 121.214 0.300 . 1 . . . . A 30 ILE N . 36264 1 346 . 1 . 1 31 31 THR H H 1 8.056 0.030 . 1 . . . . A 31 THR H . 36264 1 347 . 1 . 1 31 31 THR HA H 1 4.394 0.030 . 1 . . . . A 31 THR HA . 36264 1 348 . 1 . 1 31 31 THR HB H 1 4.466 0.030 . 1 . . . . A 31 THR HB . 36264 1 349 . 1 . 1 31 31 THR HG21 H 1 1.235 0.030 . 1 . . . . A 31 THR HG21 . 36264 1 350 . 1 . 1 31 31 THR HG22 H 1 1.235 0.030 . 1 . . . . A 31 THR HG22 . 36264 1 351 . 1 . 1 31 31 THR HG23 H 1 1.235 0.030 . 1 . . . . A 31 THR HG23 . 36264 1 352 . 1 . 1 31 31 THR C C 13 174.628 0.300 . 1 . . . . A 31 THR C . 36264 1 353 . 1 . 1 31 31 THR CA C 13 61.995 0.300 . 1 . . . . A 31 THR CA . 36264 1 354 . 1 . 1 31 31 THR CB C 13 68.994 0.300 . 1 . . . . A 31 THR CB . 36264 1 355 . 1 . 1 31 31 THR CG2 C 13 22.006 0.300 . 1 . . . . A 31 THR CG2 . 36264 1 356 . 1 . 1 31 31 THR N N 15 109.900 0.300 . 1 . . . . A 31 THR N . 36264 1 357 . 1 . 1 32 32 GLY H H 1 7.639 0.030 . 1 . . . . A 32 GLY H . 36264 1 358 . 1 . 1 32 32 GLY HA2 H 1 3.867 0.030 . 2 . . . . A 32 GLY HA2 . 36264 1 359 . 1 . 1 32 32 GLY HA3 H 1 4.379 0.030 . 2 . . . . A 32 GLY HA3 . 36264 1 360 . 1 . 1 32 32 GLY C C 13 172.670 0.300 . 1 . . . . A 32 GLY C . 36264 1 361 . 1 . 1 32 32 GLY CA C 13 44.764 0.300 . 1 . . . . A 32 GLY CA . 36264 1 362 . 1 . 1 32 32 GLY N N 15 110.032 0.300 . 1 . . . . A 32 GLY N . 36264 1 363 . 1 . 1 33 33 LYS H H 1 8.301 0.030 . 1 . . . . A 33 LYS H . 36264 1 364 . 1 . 1 33 33 LYS HA H 1 4.550 0.030 . 1 . . . . A 33 LYS HA . 36264 1 365 . 1 . 1 33 33 LYS HB2 H 1 1.637 0.030 . 1 . . . . A 33 LYS HB2 . 36264 1 366 . 1 . 1 33 33 LYS HB3 H 1 1.637 0.030 . 1 . . . . A 33 LYS HB3 . 36264 1 367 . 1 . 1 33 33 LYS HG2 H 1 1.260 0.030 . 2 . . . . A 33 LYS HG2 . 36264 1 368 . 1 . 1 33 33 LYS HG3 H 1 1.494 0.030 . 2 . . . . A 33 LYS HG3 . 36264 1 369 . 1 . 1 33 33 LYS HD2 H 1 1.558 0.030 . 1 . . . . A 33 LYS HD2 . 36264 1 370 . 1 . 1 33 33 LYS HD3 H 1 1.558 0.030 . 1 . . . . A 33 LYS HD3 . 36264 1 371 . 1 . 1 33 33 LYS HE2 H 1 2.949 0.030 . 1 . . . . A 33 LYS HE2 . 36264 1 372 . 1 . 1 33 33 LYS HE3 H 1 2.949 0.030 . 1 . . . . A 33 LYS HE3 . 36264 1 373 . 1 . 1 33 33 LYS C C 13 176.963 0.300 . 1 . . . . A 33 LYS C . 36264 1 374 . 1 . 1 33 33 LYS CA C 13 55.073 0.300 . 1 . . . . A 33 LYS CA . 36264 1 375 . 1 . 1 33 33 LYS CB C 13 33.660 0.300 . 1 . . . . A 33 LYS CB . 36264 1 376 . 1 . 1 33 33 LYS CG C 13 25.309 0.300 . 1 . . . . A 33 LYS CG . 36264 1 377 . 1 . 1 33 33 LYS CD C 13 29.222 0.300 . 1 . . . . A 33 LYS CD . 36264 1 378 . 1 . 1 33 33 LYS N N 15 119.996 0.300 . 1 . . . . A 33 LYS N . 36264 1 379 . 1 . 1 34 34 GLU H H 1 8.259 0.030 . 1 . . . . A 34 GLU H . 36264 1 380 . 1 . 1 34 34 GLU HA H 1 4.015 0.030 . 1 . . . . A 34 GLU HA . 36264 1 381 . 1 . 1 34 34 GLU HB2 H 1 1.481 0.030 . 2 . . . . A 34 GLU HB2 . 36264 1 382 . 1 . 1 34 34 GLU HB3 H 1 2.225 0.030 . 2 . . . . A 34 GLU HB3 . 36264 1 383 . 1 . 1 34 34 GLU HG2 H 1 2.083 0.030 . 2 . . . . A 34 GLU HG2 . 36264 1 384 . 1 . 1 34 34 GLU HG3 H 1 2.441 0.030 . 2 . . . . A 34 GLU HG3 . 36264 1 385 . 1 . 1 34 34 GLU C C 13 176.535 0.300 . 1 . . . . A 34 GLU C . 36264 1 386 . 1 . 1 34 34 GLU CA C 13 57.358 0.300 . 1 . . . . A 34 GLU CA . 36264 1 387 . 1 . 1 34 34 GLU CB C 13 30.032 0.300 . 1 . . . . A 34 GLU CB . 36264 1 388 . 1 . 1 34 34 GLU CG C 13 35.567 0.300 . 1 . . . . A 34 GLU CG . 36264 1 389 . 1 . 1 34 34 GLU N N 15 125.735 0.300 . 1 . . . . A 34 GLU N . 36264 1 390 . 1 . 1 35 35 ARG H H 1 8.970 0.030 . 1 . . . . A 35 ARG H . 36264 1 391 . 1 . 1 35 35 ARG HA H 1 4.376 0.030 . 1 . . . . A 35 ARG HA . 36264 1 392 . 1 . 1 35 35 ARG HB2 H 1 1.874 0.030 . 1 . . . . A 35 ARG HB2 . 36264 1 393 . 1 . 1 35 35 ARG HB3 H 1 1.874 0.030 . 1 . . . . A 35 ARG HB3 . 36264 1 394 . 1 . 1 35 35 ARG HG2 H 1 1.667 0.030 . 2 . . . . A 35 ARG HG2 . 36264 1 395 . 1 . 1 35 35 ARG HG3 H 1 1.781 0.030 . 2 . . . . A 35 ARG HG3 . 36264 1 396 . 1 . 1 35 35 ARG HD2 H 1 3.269 0.030 . 1 . . . . A 35 ARG HD2 . 36264 1 397 . 1 . 1 35 35 ARG HD3 H 1 3.269 0.030 . 1 . . . . A 35 ARG HD3 . 36264 1 398 . 1 . 1 35 35 ARG C C 13 175.826 0.300 . 1 . . . . A 35 ARG C . 36264 1 399 . 1 . 1 35 35 ARG CA C 13 55.795 0.300 . 1 . . . . A 35 ARG CA . 36264 1 400 . 1 . 1 35 35 ARG CB C 13 29.758 0.300 . 1 . . . . A 35 ARG CB . 36264 1 401 . 1 . 1 35 35 ARG CG C 13 27.059 0.300 . 1 . . . . A 35 ARG CG . 36264 1 402 . 1 . 1 35 35 ARG CD C 13 43.305 0.300 . 1 . . . . A 35 ARG CD . 36264 1 403 . 1 . 1 35 35 ARG N N 15 128.828 0.300 . 1 . . . . A 35 ARG N . 36264 1 404 . 1 . 1 36 36 LEU H H 1 8.713 0.030 . 1 . . . . A 36 LEU H . 36264 1 405 . 1 . 1 36 36 LEU HA H 1 4.566 0.030 . 1 . . . . A 36 LEU HA . 36264 1 406 . 1 . 1 36 36 LEU HB2 H 1 1.220 0.030 . 2 . . . . A 36 LEU HB2 . 36264 1 407 . 1 . 1 36 36 LEU HB3 H 1 1.698 0.030 . 2 . . . . A 36 LEU HB3 . 36264 1 408 . 1 . 1 36 36 LEU HG H 1 1.786 0.030 . 1 . . . . A 36 LEU HG . 36264 1 409 . 1 . 1 36 36 LEU HD11 H 1 0.705 0.030 . 2 . . . . A 36 LEU HD11 . 36264 1 410 . 1 . 1 36 36 LEU HD12 H 1 0.705 0.030 . 2 . . . . A 36 LEU HD12 . 36264 1 411 . 1 . 1 36 36 LEU HD13 H 1 0.705 0.030 . 2 . . . . A 36 LEU HD13 . 36264 1 412 . 1 . 1 36 36 LEU HD21 H 1 0.687 0.030 . 2 . . . . A 36 LEU HD21 . 36264 1 413 . 1 . 1 36 36 LEU HD22 H 1 0.687 0.030 . 2 . . . . A 36 LEU HD22 . 36264 1 414 . 1 . 1 36 36 LEU HD23 H 1 0.687 0.030 . 2 . . . . A 36 LEU HD23 . 36264 1 415 . 1 . 1 36 36 LEU C C 13 176.993 0.300 . 1 . . . . A 36 LEU C . 36264 1 416 . 1 . 1 36 36 LEU CA C 13 54.531 0.300 . 1 . . . . A 36 LEU CA . 36264 1 417 . 1 . 1 36 36 LEU CB C 13 42.678 0.300 . 1 . . . . A 36 LEU CB . 36264 1 418 . 1 . 1 36 36 LEU CG C 13 26.753 0.300 . 1 . . . . A 36 LEU CG . 36264 1 419 . 1 . 1 36 36 LEU CD1 C 13 23.863 0.300 . 2 . . . . A 36 LEU CD1 . 36264 1 420 . 1 . 1 36 36 LEU CD2 C 13 25.246 0.300 . 2 . . . . A 36 LEU CD2 . 36264 1 421 . 1 . 1 36 36 LEU N N 15 127.792 0.300 . 1 . . . . A 36 LEU N . 36264 1 422 . 1 . 1 37 37 LYS H H 1 8.360 0.030 . 1 . . . . A 37 LYS H . 36264 1 423 . 1 . 1 37 37 LYS HA H 1 4.739 0.030 . 1 . . . . A 37 LYS HA . 36264 1 424 . 1 . 1 37 37 LYS HB2 H 1 2.009 0.030 . 1 . . . . A 37 LYS HB2 . 36264 1 425 . 1 . 1 37 37 LYS HB3 H 1 2.009 0.030 . 1 . . . . A 37 LYS HB3 . 36264 1 426 . 1 . 1 37 37 LYS C C 13 174.716 0.300 . 1 . . . . A 37 LYS C . 36264 1 427 . 1 . 1 37 37 LYS CA C 13 55.544 0.300 . 1 . . . . A 37 LYS CA . 36264 1 428 . 1 . 1 37 37 LYS CB C 13 35.352 0.300 . 1 . . . . A 37 LYS CB . 36264 1 429 . 1 . 1 37 37 LYS CD C 13 27.171 0.300 . 1 . . . . A 37 LYS CD . 36264 1 430 . 1 . 1 37 37 LYS N N 15 121.159 0.300 . 1 . . . . A 37 LYS N . 36264 1 431 . 1 . 1 38 38 ALA H H 1 8.562 0.030 . 1 . . . . A 38 ALA H . 36264 1 432 . 1 . 1 38 38 ALA HA H 1 5.676 0.030 . 1 . . . . A 38 ALA HA . 36264 1 433 . 1 . 1 38 38 ALA HB1 H 1 1.442 0.030 . 1 . . . . A 38 ALA HB1 . 36264 1 434 . 1 . 1 38 38 ALA HB2 H 1 1.442 0.030 . 1 . . . . A 38 ALA HB2 . 36264 1 435 . 1 . 1 38 38 ALA HB3 H 1 1.442 0.030 . 1 . . . . A 38 ALA HB3 . 36264 1 436 . 1 . 1 38 38 ALA C C 13 176.832 0.300 . 1 . . . . A 38 ALA C . 36264 1 437 . 1 . 1 38 38 ALA CA C 13 51.093 0.300 . 1 . . . . A 38 ALA CA . 36264 1 438 . 1 . 1 38 38 ALA CB C 13 22.977 0.300 . 1 . . . . A 38 ALA CB . 36264 1 439 . 1 . 1 38 38 ALA N N 15 124.059 0.300 . 1 . . . . A 38 ALA N . 36264 1 440 . 1 . 1 39 39 TYR H H 1 8.280 0.030 . 1 . . . . A 39 TYR H . 36264 1 441 . 1 . 1 39 39 TYR HA H 1 4.871 0.030 . 1 . . . . A 39 TYR HA . 36264 1 442 . 1 . 1 39 39 TYR HB2 H 1 3.132 0.030 . 2 . . . . A 39 TYR HB2 . 36264 1 443 . 1 . 1 39 39 TYR HB3 H 1 3.466 0.030 . 2 . . . . A 39 TYR HB3 . 36264 1 444 . 1 . 1 39 39 TYR HD1 H 1 7.059 0.030 . 1 . . . . A 39 TYR HD1 . 36264 1 445 . 1 . 1 39 39 TYR HD2 H 1 7.059 0.030 . 1 . . . . A 39 TYR HD2 . 36264 1 446 . 1 . 1 39 39 TYR HE1 H 1 6.625 0.030 . 1 . . . . A 39 TYR HE1 . 36264 1 447 . 1 . 1 39 39 TYR HE2 H 1 6.625 0.030 . 1 . . . . A 39 TYR HE2 . 36264 1 448 . 1 . 1 39 39 TYR C C 13 174.463 0.300 . 1 . . . . A 39 TYR C . 36264 1 449 . 1 . 1 39 39 TYR CA C 13 56.342 0.300 . 1 . . . . A 39 TYR CA . 36264 1 450 . 1 . 1 39 39 TYR CB C 13 38.910 0.300 . 1 . . . . A 39 TYR CB . 36264 1 451 . 1 . 1 39 39 TYR CD1 C 13 133.980 0.300 . 1 . . . . A 39 TYR CD1 . 36264 1 452 . 1 . 1 39 39 TYR CD2 C 13 133.980 0.300 . 1 . . . . A 39 TYR CD2 . 36264 1 453 . 1 . 1 39 39 TYR CE1 C 13 117.526 0.300 . 1 . . . . A 39 TYR CE1 . 36264 1 454 . 1 . 1 39 39 TYR CE2 C 13 117.526 0.300 . 1 . . . . A 39 TYR CE2 . 36264 1 455 . 1 . 1 39 39 TYR N N 15 116.977 0.300 . 1 . . . . A 39 TYR N . 36264 1 456 . 1 . 1 40 40 GLY H H 1 8.793 0.030 . 1 . . . . A 40 GLY H . 36264 1 457 . 1 . 1 40 40 GLY HA2 H 1 3.938 0.030 . 2 . . . . A 40 GLY HA2 . 36264 1 458 . 1 . 1 40 40 GLY HA3 H 1 4.296 0.030 . 2 . . . . A 40 GLY HA3 . 36264 1 459 . 1 . 1 40 40 GLY C C 13 173.181 0.300 . 1 . . . . A 40 GLY C . 36264 1 460 . 1 . 1 40 40 GLY CA C 13 45.566 0.300 . 1 . . . . A 40 GLY CA . 36264 1 461 . 1 . 1 40 40 GLY N N 15 107.172 0.300 . 1 . . . . A 40 GLY N . 36264 1 462 . 1 . 1 41 41 GLU H H 1 8.442 0.030 . 1 . . . . A 41 GLU H . 36264 1 463 . 1 . 1 41 41 GLU HA H 1 4.428 0.030 . 1 . . . . A 41 GLU HA . 36264 1 464 . 1 . 1 41 41 GLU HB2 H 1 1.869 0.030 . 2 . . . . A 41 GLU HB2 . 36264 1 465 . 1 . 1 41 41 GLU HB3 H 1 2.061 0.030 . 2 . . . . A 41 GLU HB3 . 36264 1 466 . 1 . 1 41 41 GLU HG2 H 1 2.223 0.030 . 1 . . . . A 41 GLU HG2 . 36264 1 467 . 1 . 1 41 41 GLU HG3 H 1 2.223 0.030 . 1 . . . . A 41 GLU HG3 . 36264 1 468 . 1 . 1 41 41 GLU C C 13 176.119 0.300 . 1 . . . . A 41 GLU C . 36264 1 469 . 1 . 1 41 41 GLU CA C 13 56.653 0.300 . 1 . . . . A 41 GLU CA . 36264 1 470 . 1 . 1 41 41 GLU CB C 13 31.460 0.300 . 1 . . . . A 41 GLU CB . 36264 1 471 . 1 . 1 41 41 GLU CG C 13 36.668 0.300 . 1 . . . . A 41 GLU CG . 36264 1 472 . 1 . 1 41 41 GLU N N 15 119.550 0.300 . 1 . . . . A 41 GLU N . 36264 1 473 . 1 . 1 42 42 LEU H H 1 8.901 0.030 . 1 . . . . A 42 LEU H . 36264 1 474 . 1 . 1 42 42 LEU HA H 1 4.444 0.030 . 1 . . . . A 42 LEU HA . 36264 1 475 . 1 . 1 42 42 LEU HB2 H 1 1.591 0.030 . 1 . . . . A 42 LEU HB2 . 36264 1 476 . 1 . 1 42 42 LEU HB3 H 1 1.591 0.030 . 1 . . . . A 42 LEU HB3 . 36264 1 477 . 1 . 1 42 42 LEU HG H 1 0.823 0.030 . 1 . . . . A 42 LEU HG . 36264 1 478 . 1 . 1 42 42 LEU HD11 H 1 0.817 0.030 . 2 . . . . A 42 LEU HD11 . 36264 1 479 . 1 . 1 42 42 LEU HD12 H 1 0.817 0.030 . 2 . . . . A 42 LEU HD12 . 36264 1 480 . 1 . 1 42 42 LEU HD13 H 1 0.817 0.030 . 2 . . . . A 42 LEU HD13 . 36264 1 481 . 1 . 1 42 42 LEU HD21 H 1 0.826 0.030 . 2 . . . . A 42 LEU HD21 . 36264 1 482 . 1 . 1 42 42 LEU HD22 H 1 0.826 0.030 . 2 . . . . A 42 LEU HD22 . 36264 1 483 . 1 . 1 42 42 LEU HD23 H 1 0.826 0.030 . 2 . . . . A 42 LEU HD23 . 36264 1 484 . 1 . 1 42 42 LEU C C 13 177.047 0.300 . 1 . . . . A 42 LEU C . 36264 1 485 . 1 . 1 42 42 LEU CA C 13 55.413 0.300 . 1 . . . . A 42 LEU CA . 36264 1 486 . 1 . 1 42 42 LEU CB C 13 42.528 0.300 . 1 . . . . A 42 LEU CB . 36264 1 487 . 1 . 1 42 42 LEU CG C 13 24.426 0.300 . 1 . . . . A 42 LEU CG . 36264 1 488 . 1 . 1 42 42 LEU CD1 C 13 24.326 0.300 . 2 . . . . A 42 LEU CD1 . 36264 1 489 . 1 . 1 42 42 LEU CD2 C 13 24.484 0.300 . 2 . . . . A 42 LEU CD2 . 36264 1 490 . 1 . 1 42 42 LEU N N 15 124.003 0.300 . 1 . . . . A 42 LEU N . 36264 1 491 . 1 . 1 43 43 ILE H H 1 8.430 0.030 . 1 . . . . A 43 ILE H . 36264 1 492 . 1 . 1 43 43 ILE HA H 1 4.352 0.030 . 1 . . . . A 43 ILE HA . 36264 1 493 . 1 . 1 43 43 ILE HB H 1 1.880 0.030 . 1 . . . . A 43 ILE HB . 36264 1 494 . 1 . 1 43 43 ILE HG12 H 1 1.154 0.030 . 2 . . . . A 43 ILE HG12 . 36264 1 495 . 1 . 1 43 43 ILE HG13 H 1 1.473 0.030 . 2 . . . . A 43 ILE HG13 . 36264 1 496 . 1 . 1 43 43 ILE HG21 H 1 0.914 0.030 . 1 . . . . A 43 ILE HG21 . 36264 1 497 . 1 . 1 43 43 ILE HG22 H 1 0.914 0.030 . 1 . . . . A 43 ILE HG22 . 36264 1 498 . 1 . 1 43 43 ILE HG23 H 1 0.914 0.030 . 1 . . . . A 43 ILE HG23 . 36264 1 499 . 1 . 1 43 43 ILE HD11 H 1 0.842 0.030 . 1 . . . . A 43 ILE HD11 . 36264 1 500 . 1 . 1 43 43 ILE HD12 H 1 0.842 0.030 . 1 . . . . A 43 ILE HD12 . 36264 1 501 . 1 . 1 43 43 ILE HD13 H 1 0.842 0.030 . 1 . . . . A 43 ILE HD13 . 36264 1 502 . 1 . 1 43 43 ILE C C 13 176.260 0.300 . 1 . . . . A 43 ILE C . 36264 1 503 . 1 . 1 43 43 ILE CA C 13 60.877 0.300 . 1 . . . . A 43 ILE CA . 36264 1 504 . 1 . 1 43 43 ILE CB C 13 39.010 0.300 . 1 . . . . A 43 ILE CB . 36264 1 505 . 1 . 1 43 43 ILE CG1 C 13 27.265 0.300 . 1 . . . . A 43 ILE CG1 . 36264 1 506 . 1 . 1 43 43 ILE CG2 C 13 17.718 0.300 . 1 . . . . A 43 ILE CG2 . 36264 1 507 . 1 . 1 43 43 ILE CD1 C 13 13.026 0.300 . 1 . . . . A 43 ILE CD1 . 36264 1 508 . 1 . 1 43 43 ILE N N 15 123.296 0.300 . 1 . . . . A 43 ILE N . 36264 1 509 . 1 . 1 44 44 THR H H 1 8.235 0.030 . 1 . . . . A 44 THR H . 36264 1 510 . 1 . 1 44 44 THR HA H 1 4.432 0.030 . 1 . . . . A 44 THR HA . 36264 1 511 . 1 . 1 44 44 THR HB H 1 4.225 0.030 . 1 . . . . A 44 THR HB . 36264 1 512 . 1 . 1 44 44 THR HG1 H 1 2.816 0.030 . 1 . . . . A 44 THR HG1 . 36264 1 513 . 1 . 1 44 44 THR HG21 H 1 1.189 0.030 . 1 . . . . A 44 THR HG21 . 36264 1 514 . 1 . 1 44 44 THR HG22 H 1 1.189 0.030 . 1 . . . . A 44 THR HG22 . 36264 1 515 . 1 . 1 44 44 THR HG23 H 1 1.189 0.030 . 1 . . . . A 44 THR HG23 . 36264 1 516 . 1 . 1 44 44 THR C C 13 174.206 0.300 . 1 . . . . A 44 THR C . 36264 1 517 . 1 . 1 44 44 THR CA C 13 61.776 0.300 . 1 . . . . A 44 THR CA . 36264 1 518 . 1 . 1 44 44 THR CB C 13 69.848 0.300 . 1 . . . . A 44 THR CB . 36264 1 519 . 1 . 1 44 44 THR CG2 C 13 21.625 0.300 . 1 . . . . A 44 THR CG2 . 36264 1 520 . 1 . 1 44 44 THR N N 15 117.841 0.300 . 1 . . . . A 44 THR N . 36264 1 521 . 1 . 1 45 45 ASN H H 1 8.454 0.030 . 1 . . . . A 45 ASN H . 36264 1 522 . 1 . 1 45 45 ASN HA H 1 4.691 0.030 . 1 . . . . A 45 ASN HA . 36264 1 523 . 1 . 1 45 45 ASN HB2 H 1 2.824 0.030 . 1 . . . . A 45 ASN HB2 . 36264 1 524 . 1 . 1 45 45 ASN HB3 H 1 2.824 0.030 . 1 . . . . A 45 ASN HB3 . 36264 1 525 . 1 . 1 45 45 ASN HD21 H 1 7.582 0.030 . 1 . . . . A 45 ASN HD21 . 36264 1 526 . 1 . 1 45 45 ASN HD22 H 1 7.582 0.030 . 1 . . . . A 45 ASN HD22 . 36264 1 527 . 1 . 1 45 45 ASN C C 13 174.627 0.300 . 1 . . . . A 45 ASN C . 36264 1 528 . 1 . 1 45 45 ASN CA C 13 53.516 0.300 . 1 . . . . A 45 ASN CA . 36264 1 529 . 1 . 1 45 45 ASN CB C 13 38.806 0.300 . 1 . . . . A 45 ASN CB . 36264 1 530 . 1 . 1 45 45 ASN N N 15 120.347 0.300 . 1 . . . . A 45 ASN N . 36264 1 531 . 1 . 1 45 45 ASN ND2 N 15 112.369 0.300 . 1 . . . . A 45 ASN ND2 . 36264 1 532 . 1 . 1 46 46 ASP H H 1 8.186 0.030 . 1 . . . . A 46 ASP H . 36264 1 533 . 1 . 1 46 46 ASP HA H 1 4.551 0.030 . 1 . . . . A 46 ASP HA . 36264 1 534 . 1 . 1 46 46 ASP HB2 H 1 2.677 0.030 . 1 . . . . A 46 ASP HB2 . 36264 1 535 . 1 . 1 46 46 ASP HB3 H 1 2.677 0.030 . 1 . . . . A 46 ASP HB3 . 36264 1 536 . 1 . 1 46 46 ASP C C 13 176.254 0.300 . 1 . . . . A 46 ASP C . 36264 1 537 . 1 . 1 46 46 ASP CA C 13 54.486 0.300 . 1 . . . . A 46 ASP CA . 36264 1 538 . 1 . 1 46 46 ASP CB C 13 41.428 0.300 . 1 . . . . A 46 ASP CB . 36264 1 539 . 1 . 1 46 46 ASP N N 15 119.754 0.300 . 1 . . . . A 46 ASP N . 36264 1 540 . 1 . 1 47 47 LYS H H 1 8.229 0.030 . 1 . . . . A 47 LYS H . 36264 1 541 . 1 . 1 47 47 LYS HA H 1 4.114 0.030 . 1 . . . . A 47 LYS HA . 36264 1 542 . 1 . 1 47 47 LYS HB2 H 1 1.507 0.030 . 1 . . . . A 47 LYS HB2 . 36264 1 543 . 1 . 1 47 47 LYS HB3 H 1 1.507 0.030 . 1 . . . . A 47 LYS HB3 . 36264 1 544 . 1 . 1 47 47 LYS HG2 H 1 1.085 0.030 . 1 . . . . A 47 LYS HG2 . 36264 1 545 . 1 . 1 47 47 LYS HG3 H 1 1.085 0.030 . 1 . . . . A 47 LYS HG3 . 36264 1 546 . 1 . 1 47 47 LYS HD2 H 1 1.507 0.030 . 1 . . . . A 47 LYS HD2 . 36264 1 547 . 1 . 1 47 47 LYS HD3 H 1 1.507 0.030 . 1 . . . . A 47 LYS HD3 . 36264 1 548 . 1 . 1 47 47 LYS HE2 H 1 2.832 0.030 . 1 . . . . A 47 LYS HE2 . 36264 1 549 . 1 . 1 47 47 LYS HE3 H 1 2.832 0.030 . 1 . . . . A 47 LYS HE3 . 36264 1 550 . 1 . 1 47 47 LYS C C 13 176.529 0.300 . 1 . . . . A 47 LYS C . 36264 1 551 . 1 . 1 47 47 LYS CA C 13 57.159 0.300 . 1 . . . . A 47 LYS CA . 36264 1 552 . 1 . 1 47 47 LYS CB C 13 32.380 0.300 . 1 . . . . A 47 LYS CB . 36264 1 553 . 1 . 1 47 47 LYS CG C 13 24.374 0.300 . 1 . . . . A 47 LYS CG . 36264 1 554 . 1 . 1 47 47 LYS CD C 13 29.003 0.300 . 1 . . . . A 47 LYS CD . 36264 1 555 . 1 . 1 47 47 LYS CE C 13 42.020 0.300 . 1 . . . . A 47 LYS CE . 36264 1 556 . 1 . 1 47 47 LYS N N 15 120.666 0.300 . 1 . . . . A 47 LYS N . 36264 1 557 . 1 . 1 48 48 TRP H H 1 8.137 0.030 . 1 . . . . A 48 TRP H . 36264 1 558 . 1 . 1 48 48 TRP HA H 1 4.734 0.030 . 1 . . . . A 48 TRP HA . 36264 1 559 . 1 . 1 48 48 TRP HB2 H 1 3.259 0.030 . 2 . . . . A 48 TRP HB2 . 36264 1 560 . 1 . 1 48 48 TRP HB3 H 1 3.411 0.030 . 2 . . . . A 48 TRP HB3 . 36264 1 561 . 1 . 1 48 48 TRP HD1 H 1 7.271 0.030 . 1 . . . . A 48 TRP HD1 . 36264 1 562 . 1 . 1 48 48 TRP HE1 H 1 10.143 0.030 . 1 . . . . A 48 TRP HE1 . 36264 1 563 . 1 . 1 48 48 TRP HE3 H 1 7.656 0.030 . 1 . . . . A 48 TRP HE3 . 36264 1 564 . 1 . 1 48 48 TRP HZ2 H 1 7.495 0.030 . 1 . . . . A 48 TRP HZ2 . 36264 1 565 . 1 . 1 48 48 TRP HZ3 H 1 7.152 0.030 . 1 . . . . A 48 TRP HZ3 . 36264 1 566 . 1 . 1 48 48 TRP HH2 H 1 7.230 0.030 . 1 . . . . A 48 TRP HH2 . 36264 1 567 . 1 . 1 48 48 TRP C C 13 176.441 0.300 . 1 . . . . A 48 TRP C . 36264 1 568 . 1 . 1 48 48 TRP CA C 13 57.487 0.300 . 1 . . . . A 48 TRP CA . 36264 1 569 . 1 . 1 48 48 TRP CB C 13 29.648 0.300 . 1 . . . . A 48 TRP CB . 36264 1 570 . 1 . 1 48 48 TRP CD1 C 13 127.307 0.300 . 1 . . . . A 48 TRP CD1 . 36264 1 571 . 1 . 1 48 48 TRP CE3 C 13 121.065 0.300 . 1 . . . . A 48 TRP CE3 . 36264 1 572 . 1 . 1 48 48 TRP CZ2 C 13 114.652 0.300 . 1 . . . . A 48 TRP CZ2 . 36264 1 573 . 1 . 1 48 48 TRP CZ3 C 13 122.052 0.300 . 1 . . . . A 48 TRP CZ3 . 36264 1 574 . 1 . 1 48 48 TRP CH2 C 13 124.782 0.300 . 1 . . . . A 48 TRP CH2 . 36264 1 575 . 1 . 1 48 48 TRP N N 15 120.044 0.300 . 1 . . . . A 48 TRP N . 36264 1 576 . 1 . 1 48 48 TRP NE1 N 15 129.077 0.300 . 1 . . . . A 48 TRP NE1 . 36264 1 577 . 1 . 1 49 49 THR H H 1 7.898 0.030 . 1 . . . . A 49 THR H . 36264 1 578 . 1 . 1 49 49 THR HA H 1 4.358 0.030 . 1 . . . . A 49 THR HA . 36264 1 579 . 1 . 1 49 49 THR HB H 1 4.189 0.030 . 1 . . . . A 49 THR HB . 36264 1 580 . 1 . 1 49 49 THR HG21 H 1 1.166 0.030 . 1 . . . . A 49 THR HG21 . 36264 1 581 . 1 . 1 49 49 THR HG22 H 1 1.166 0.030 . 1 . . . . A 49 THR HG22 . 36264 1 582 . 1 . 1 49 49 THR HG23 H 1 1.166 0.030 . 1 . . . . A 49 THR HG23 . 36264 1 583 . 1 . 1 49 49 THR C C 13 174.540 0.300 . 1 . . . . A 49 THR C . 36264 1 584 . 1 . 1 49 49 THR CA C 13 62.082 0.300 . 1 . . . . A 49 THR CA . 36264 1 585 . 1 . 1 49 49 THR CB C 13 69.859 0.300 . 1 . . . . A 49 THR CB . 36264 1 586 . 1 . 1 49 49 THR CG2 C 13 21.653 0.300 . 1 . . . . A 49 THR CG2 . 36264 1 587 . 1 . 1 49 49 THR N N 15 115.635 0.300 . 1 . . . . A 49 THR N . 36264 1 588 . 1 . 1 50 50 ARG H H 1 8.277 0.030 . 1 . . . . A 50 ARG H . 36264 1 589 . 1 . 1 50 50 ARG HB2 H 1 1.712 0.030 . 2 . . . . A 50 ARG HB2 . 36264 1 590 . 1 . 1 50 50 ARG HB3 H 1 1.784 0.030 . 2 . . . . A 50 ARG HB3 . 36264 1 591 . 1 . 1 50 50 ARG HG2 H 1 0.978 0.030 . 1 . . . . A 50 ARG HG2 . 36264 1 592 . 1 . 1 50 50 ARG HG3 H 1 0.978 0.030 . 1 . . . . A 50 ARG HG3 . 36264 1 593 . 1 . 1 50 50 ARG HE H 1 8.614 0.030 . 1 . . . . A 50 ARG HE . 36264 1 594 . 1 . 1 50 50 ARG C C 13 175.619 0.300 . 1 . . . . A 50 ARG C . 36264 1 595 . 1 . 1 50 50 ARG CA C 13 56.294 0.300 . 1 . . . . A 50 ARG CA . 36264 1 596 . 1 . 1 50 50 ARG CB C 13 30.662 0.300 . 1 . . . . A 50 ARG CB . 36264 1 597 . 1 . 1 50 50 ARG CG C 13 24.715 0.300 . 1 . . . . A 50 ARG CG . 36264 1 598 . 1 . 1 50 50 ARG N N 15 122.143 0.300 . 1 . . . . A 50 ARG N . 36264 1 599 . 1 . 1 51 51 ASN H H 1 8.294 0.030 . 1 . . . . A 51 ASN H . 36264 1 600 . 1 . 1 51 51 ASN HB2 H 1 2.830 0.030 . 1 . . . . A 51 ASN HB2 . 36264 1 601 . 1 . 1 51 51 ASN HB3 H 1 2.830 0.030 . 1 . . . . A 51 ASN HB3 . 36264 1 602 . 1 . 1 51 51 ASN HD21 H 1 7.597 0.030 . 1 . . . . A 51 ASN HD21 . 36264 1 603 . 1 . 1 51 51 ASN HD22 H 1 7.597 0.030 . 1 . . . . A 51 ASN HD22 . 36264 1 604 . 1 . 1 51 51 ASN C C 13 174.540 0.300 . 1 . . . . A 51 ASN C . 36264 1 605 . 1 . 1 51 51 ASN CB C 13 39.126 0.300 . 1 . . . . A 51 ASN CB . 36264 1 606 . 1 . 1 51 51 ASN N N 15 118.203 0.300 . 1 . . . . A 51 ASN N . 36264 1 607 . 1 . 1 51 51 ASN ND2 N 15 112.479 0.300 . 1 . . . . A 51 ASN ND2 . 36264 1 608 . 1 . 1 52 52 ARG H H 1 8.283 0.030 . 1 . . . . A 52 ARG H . 36264 1 609 . 1 . 1 52 52 ARG HA H 1 4.660 0.030 . 1 . . . . A 52 ARG HA . 36264 1 610 . 1 . 1 52 52 ARG HD2 H 1 3.170 0.030 . 1 . . . . A 52 ARG HD2 . 36264 1 611 . 1 . 1 52 52 ARG HD3 H 1 3.170 0.030 . 1 . . . . A 52 ARG HD3 . 36264 1 612 . 1 . 1 52 52 ARG CA C 13 54.185 0.300 . 1 . . . . A 52 ARG CA . 36264 1 613 . 1 . 1 52 52 ARG CD C 13 43.486 0.300 . 1 . . . . A 52 ARG CD . 36264 1 614 . 1 . 1 52 52 ARG N N 15 121.783 0.300 . 1 . . . . A 52 ARG N . 36264 1 615 . 1 . 1 53 53 PRO HA H 1 4.363 0.030 . 1 . . . . A 53 PRO HA . 36264 1 616 . 1 . 1 53 53 PRO HB2 H 1 1.807 0.030 . 2 . . . . A 53 PRO HB2 . 36264 1 617 . 1 . 1 53 53 PRO HB3 H 1 2.220 0.030 . 2 . . . . A 53 PRO HB3 . 36264 1 618 . 1 . 1 53 53 PRO HG2 H 1 1.977 0.030 . 1 . . . . A 53 PRO HG2 . 36264 1 619 . 1 . 1 53 53 PRO HG3 H 1 1.977 0.030 . 1 . . . . A 53 PRO HG3 . 36264 1 620 . 1 . 1 53 53 PRO HD2 H 1 3.660 0.030 . 1 . . . . A 53 PRO HD2 . 36264 1 621 . 1 . 1 53 53 PRO HD3 H 1 3.660 0.030 . 1 . . . . A 53 PRO HD3 . 36264 1 622 . 1 . 1 53 53 PRO C C 13 176.005 0.300 . 1 . . . . A 53 PRO C . 36264 1 623 . 1 . 1 53 53 PRO CA C 13 62.966 0.300 . 1 . . . . A 53 PRO CA . 36264 1 624 . 1 . 1 53 53 PRO CB C 13 32.228 0.300 . 1 . . . . A 53 PRO CB . 36264 1 625 . 1 . 1 53 53 PRO CG C 13 27.239 0.300 . 1 . . . . A 53 PRO CG . 36264 1 626 . 1 . 1 53 53 PRO CD C 13 50.533 0.300 . 1 . . . . A 53 PRO CD . 36264 1 627 . 1 . 1 54 54 ILE H H 1 8.127 0.030 . 1 . . . . A 54 ILE H . 36264 1 628 . 1 . 1 54 54 ILE HA H 1 4.203 0.030 . 1 . . . . A 54 ILE HA . 36264 1 629 . 1 . 1 54 54 ILE HB H 1 1.408 0.030 . 1 . . . . A 54 ILE HB . 36264 1 630 . 1 . 1 54 54 ILE HG12 H 1 0.789 0.030 . 2 . . . . A 54 ILE HG12 . 36264 1 631 . 1 . 1 54 54 ILE HG13 H 1 1.088 0.030 . 2 . . . . A 54 ILE HG13 . 36264 1 632 . 1 . 1 54 54 ILE HG21 H 1 0.647 0.030 . 1 . . . . A 54 ILE HG21 . 36264 1 633 . 1 . 1 54 54 ILE HG22 H 1 0.647 0.030 . 1 . . . . A 54 ILE HG22 . 36264 1 634 . 1 . 1 54 54 ILE HG23 H 1 0.647 0.030 . 1 . . . . A 54 ILE HG23 . 36264 1 635 . 1 . 1 54 54 ILE HD11 H 1 0.223 0.030 . 1 . . . . A 54 ILE HD11 . 36264 1 636 . 1 . 1 54 54 ILE HD12 H 1 0.223 0.030 . 1 . . . . A 54 ILE HD12 . 36264 1 637 . 1 . 1 54 54 ILE HD13 H 1 0.223 0.030 . 1 . . . . A 54 ILE HD13 . 36264 1 638 . 1 . 1 54 54 ILE C C 13 175.235 0.300 . 1 . . . . A 54 ILE C . 36264 1 639 . 1 . 1 54 54 ILE CA C 13 60.829 0.300 . 1 . . . . A 54 ILE CA . 36264 1 640 . 1 . 1 54 54 ILE CB C 13 37.606 0.300 . 1 . . . . A 54 ILE CB . 36264 1 641 . 1 . 1 54 54 ILE CG1 C 13 27.761 0.300 . 1 . . . . A 54 ILE CG1 . 36264 1 642 . 1 . 1 54 54 ILE CG2 C 13 17.909 0.300 . 1 . . . . A 54 ILE CG2 . 36264 1 643 . 1 . 1 54 54 ILE CD1 C 13 12.951 0.300 . 1 . . . . A 54 ILE CD1 . 36264 1 644 . 1 . 1 54 54 ILE N N 15 122.349 0.300 . 1 . . . . A 54 ILE N . 36264 1 645 . 1 . 1 55 55 VAL H H 1 8.270 0.030 . 1 . . . . A 55 VAL H . 36264 1 646 . 1 . 1 55 55 VAL HA H 1 4.634 0.030 . 1 . . . . A 55 VAL HA . 36264 1 647 . 1 . 1 55 55 VAL HB H 1 2.128 0.030 . 1 . . . . A 55 VAL HB . 36264 1 648 . 1 . 1 55 55 VAL HG11 H 1 0.956 0.030 . 2 . . . . A 55 VAL HG11 . 36264 1 649 . 1 . 1 55 55 VAL HG12 H 1 0.956 0.030 . 2 . . . . A 55 VAL HG12 . 36264 1 650 . 1 . 1 55 55 VAL HG13 H 1 0.956 0.030 . 2 . . . . A 55 VAL HG13 . 36264 1 651 . 1 . 1 55 55 VAL HG21 H 1 0.967 0.030 . 2 . . . . A 55 VAL HG21 . 36264 1 652 . 1 . 1 55 55 VAL HG22 H 1 0.967 0.030 . 2 . . . . A 55 VAL HG22 . 36264 1 653 . 1 . 1 55 55 VAL HG23 H 1 0.967 0.030 . 2 . . . . A 55 VAL HG23 . 36264 1 654 . 1 . 1 55 55 VAL C C 13 175.384 0.300 . 1 . . . . A 55 VAL C . 36264 1 655 . 1 . 1 55 55 VAL CA C 13 60.399 0.300 . 1 . . . . A 55 VAL CA . 36264 1 656 . 1 . 1 55 55 VAL CB C 13 35.019 0.300 . 1 . . . . A 55 VAL CB . 36264 1 657 . 1 . 1 55 55 VAL CG1 C 13 20.266 0.300 . 2 . . . . A 55 VAL CG1 . 36264 1 658 . 1 . 1 55 55 VAL CG2 C 13 21.003 0.300 . 2 . . . . A 55 VAL CG2 . 36264 1 659 . 1 . 1 55 55 VAL N N 15 124.464 0.300 . 1 . . . . A 55 VAL N . 36264 1 660 . 1 . 1 56 56 SER H H 1 8.652 0.030 . 1 . . . . A 56 SER H . 36264 1 661 . 1 . 1 56 56 SER HA H 1 5.213 0.030 . 1 . . . . A 56 SER HA . 36264 1 662 . 1 . 1 56 56 SER HB2 H 1 3.817 0.030 . 2 . . . . A 56 SER HB2 . 36264 1 663 . 1 . 1 56 56 SER HB3 H 1 4.064 0.030 . 2 . . . . A 56 SER HB3 . 36264 1 664 . 1 . 1 56 56 SER C C 13 175.323 0.300 . 1 . . . . A 56 SER C . 36264 1 665 . 1 . 1 56 56 SER CA C 13 57.011 0.300 . 1 . . . . A 56 SER CA . 36264 1 666 . 1 . 1 56 56 SER CB C 13 65.388 0.300 . 1 . . . . A 56 SER CB . 36264 1 667 . 1 . 1 56 56 SER N N 15 119.808 0.300 . 1 . . . . A 56 SER N . 36264 1 668 . 1 . 1 57 57 THR H H 1 9.220 0.030 . 1 . . . . A 57 THR H . 36264 1 669 . 1 . 1 57 57 THR HA H 1 4.698 0.030 . 1 . . . . A 57 THR HA . 36264 1 670 . 1 . 1 57 57 THR HB H 1 4.300 0.030 . 1 . . . . A 57 THR HB . 36264 1 671 . 1 . 1 57 57 THR HG1 H 1 3.039 0.030 . 1 . . . . A 57 THR HG1 . 36264 1 672 . 1 . 1 57 57 THR HG21 H 1 1.292 0.030 . 1 . . . . A 57 THR HG21 . 36264 1 673 . 1 . 1 57 57 THR HG22 H 1 1.292 0.030 . 1 . . . . A 57 THR HG22 . 36264 1 674 . 1 . 1 57 57 THR HG23 H 1 1.292 0.030 . 1 . . . . A 57 THR HG23 . 36264 1 675 . 1 . 1 57 57 THR C C 13 173.946 0.300 . 1 . . . . A 57 THR C . 36264 1 676 . 1 . 1 57 57 THR CA C 13 61.894 0.300 . 1 . . . . A 57 THR CA . 36264 1 677 . 1 . 1 57 57 THR CB C 13 70.851 0.300 . 1 . . . . A 57 THR CB . 36264 1 678 . 1 . 1 57 57 THR CG2 C 13 22.060 0.300 . 1 . . . . A 57 THR CG2 . 36264 1 679 . 1 . 1 57 57 THR N N 15 117.494 0.300 . 1 . . . . A 57 THR N . 36264 1 680 . 1 . 1 58 58 LYS H H 1 8.751 0.030 . 1 . . . . A 58 LYS H . 36264 1 681 . 1 . 1 58 58 LYS HA H 1 5.643 0.030 . 1 . . . . A 58 LYS HA . 36264 1 682 . 1 . 1 58 58 LYS HB2 H 1 1.607 0.030 . 1 . . . . A 58 LYS HB2 . 36264 1 683 . 1 . 1 58 58 LYS HB3 H 1 1.607 0.030 . 1 . . . . A 58 LYS HB3 . 36264 1 684 . 1 . 1 58 58 LYS HG2 H 1 1.076 0.030 . 1 . . . . A 58 LYS HG2 . 36264 1 685 . 1 . 1 58 58 LYS HG3 H 1 1.076 0.030 . 1 . . . . A 58 LYS HG3 . 36264 1 686 . 1 . 1 58 58 LYS HD2 H 1 1.267 0.030 . 1 . . . . A 58 LYS HD2 . 36264 1 687 . 1 . 1 58 58 LYS HD3 H 1 1.267 0.030 . 1 . . . . A 58 LYS HD3 . 36264 1 688 . 1 . 1 58 58 LYS HE2 H 1 2.961 0.030 . 1 . . . . A 58 LYS HE2 . 36264 1 689 . 1 . 1 58 58 LYS HE3 H 1 2.961 0.030 . 1 . . . . A 58 LYS HE3 . 36264 1 690 . 1 . 1 58 58 LYS C C 13 176.553 0.300 . 1 . . . . A 58 LYS C . 36264 1 691 . 1 . 1 58 58 LYS CA C 13 55.307 0.300 . 1 . . . . A 58 LYS CA . 36264 1 692 . 1 . 1 58 58 LYS CB C 13 35.575 0.300 . 1 . . . . A 58 LYS CB . 36264 1 693 . 1 . 1 58 58 LYS CG C 13 24.839 0.300 . 1 . . . . A 58 LYS CG . 36264 1 694 . 1 . 1 58 58 LYS CD C 13 25.017 0.300 . 1 . . . . A 58 LYS CD . 36264 1 695 . 1 . 1 58 58 LYS CE C 13 42.216 0.300 . 1 . . . . A 58 LYS CE . 36264 1 696 . 1 . 1 58 58 LYS N N 15 123.722 0.300 . 1 . . . . A 58 LYS N . 36264 1 697 . 1 . 1 59 59 LYS H H 1 8.839 0.030 . 1 . . . . A 59 LYS H . 36264 1 698 . 1 . 1 59 59 LYS HA H 1 4.696 0.030 . 1 . . . . A 59 LYS HA . 36264 1 699 . 1 . 1 59 59 LYS HB2 H 1 1.790 0.030 . 2 . . . . A 59 LYS HB2 . 36264 1 700 . 1 . 1 59 59 LYS HB3 H 1 1.943 0.030 . 2 . . . . A 59 LYS HB3 . 36264 1 701 . 1 . 1 59 59 LYS HG2 H 1 1.393 0.030 . 1 . . . . A 59 LYS HG2 . 36264 1 702 . 1 . 1 59 59 LYS HG3 H 1 1.393 0.030 . 1 . . . . A 59 LYS HG3 . 36264 1 703 . 1 . 1 59 59 LYS HD2 H 1 1.595 0.030 . 1 . . . . A 59 LYS HD2 . 36264 1 704 . 1 . 1 59 59 LYS HD3 H 1 1.595 0.030 . 1 . . . . A 59 LYS HD3 . 36264 1 705 . 1 . 1 59 59 LYS HE2 H 1 2.811 0.030 . 1 . . . . A 59 LYS HE2 . 36264 1 706 . 1 . 1 59 59 LYS HE3 H 1 2.811 0.030 . 1 . . . . A 59 LYS HE3 . 36264 1 707 . 1 . 1 59 59 LYS C C 13 174.895 0.300 . 1 . . . . A 59 LYS C . 36264 1 708 . 1 . 1 59 59 LYS CA C 13 55.373 0.300 . 1 . . . . A 59 LYS CA . 36264 1 709 . 1 . 1 59 59 LYS CB C 13 37.156 0.300 . 1 . . . . A 59 LYS CB . 36264 1 710 . 1 . 1 59 59 LYS CG C 13 24.925 0.300 . 1 . . . . A 59 LYS CG . 36264 1 711 . 1 . 1 59 59 LYS CD C 13 29.091 0.300 . 1 . . . . A 59 LYS CD . 36264 1 712 . 1 . 1 59 59 LYS CE C 13 42.076 0.300 . 1 . . . . A 59 LYS CE . 36264 1 713 . 1 . 1 59 59 LYS N N 15 121.047 0.300 . 1 . . . . A 59 LYS N . 36264 1 714 . 1 . 1 60 60 LEU H H 1 8.691 0.030 . 1 . . . . A 60 LEU H . 36264 1 715 . 1 . 1 60 60 LEU HA H 1 4.972 0.030 . 1 . . . . A 60 LEU HA . 36264 1 716 . 1 . 1 60 60 LEU HB2 H 1 1.527 0.030 . 2 . . . . A 60 LEU HB2 . 36264 1 717 . 1 . 1 60 60 LEU HB3 H 1 1.673 0.030 . 2 . . . . A 60 LEU HB3 . 36264 1 718 . 1 . 1 60 60 LEU HD11 H 1 0.780 0.030 . 2 . . . . A 60 LEU HD11 . 36264 1 719 . 1 . 1 60 60 LEU HD12 H 1 0.780 0.030 . 2 . . . . A 60 LEU HD12 . 36264 1 720 . 1 . 1 60 60 LEU HD13 H 1 0.780 0.030 . 2 . . . . A 60 LEU HD13 . 36264 1 721 . 1 . 1 60 60 LEU HD21 H 1 0.868 0.030 . 2 . . . . A 60 LEU HD21 . 36264 1 722 . 1 . 1 60 60 LEU HD22 H 1 0.868 0.030 . 2 . . . . A 60 LEU HD22 . 36264 1 723 . 1 . 1 60 60 LEU HD23 H 1 0.868 0.030 . 2 . . . . A 60 LEU HD23 . 36264 1 724 . 1 . 1 60 60 LEU C C 13 177.893 0.300 . 1 . . . . A 60 LEU C . 36264 1 725 . 1 . 1 60 60 LEU CA C 13 54.430 0.300 . 1 . . . . A 60 LEU CA . 36264 1 726 . 1 . 1 60 60 LEU CB C 13 43.986 0.300 . 1 . . . . A 60 LEU CB . 36264 1 727 . 1 . 1 60 60 LEU CD1 C 13 24.618 0.300 . 2 . . . . A 60 LEU CD1 . 36264 1 728 . 1 . 1 60 60 LEU CD2 C 13 24.965 0.300 . 2 . . . . A 60 LEU CD2 . 36264 1 729 . 1 . 1 60 60 LEU N N 15 124.938 0.300 . 1 . . . . A 60 LEU N . 36264 1 730 . 1 . 1 61 61 ASP H H 1 8.482 0.030 . 1 . . . . A 61 ASP H . 36264 1 731 . 1 . 1 61 61 ASP HA H 1 4.751 0.030 . 1 . . . . A 61 ASP HA . 36264 1 732 . 1 . 1 61 61 ASP HB2 H 1 3.407 0.030 . 2 . . . . A 61 ASP HB2 . 36264 1 733 . 1 . 1 61 61 ASP HB3 H 1 2.534 0.030 . 2 . . . . A 61 ASP HB3 . 36264 1 734 . 1 . 1 61 61 ASP C C 13 178.504 0.300 . 1 . . . . A 61 ASP C . 36264 1 735 . 1 . 1 61 61 ASP CA C 13 52.058 0.300 . 1 . . . . A 61 ASP CA . 36264 1 736 . 1 . 1 61 61 ASP CB C 13 41.509 0.300 . 1 . . . . A 61 ASP CB . 36264 1 737 . 1 . 1 61 61 ASP N N 15 122.295 0.300 . 1 . . . . A 61 ASP N . 36264 1 738 . 1 . 1 62 62 LYS H H 1 8.419 0.030 . 1 . . . . A 62 LYS H . 36264 1 739 . 1 . 1 62 62 LYS HA H 1 4.159 0.030 . 1 . . . . A 62 LYS HA . 36264 1 740 . 1 . 1 62 62 LYS HB2 H 1 1.922 0.030 . 1 . . . . A 62 LYS HB2 . 36264 1 741 . 1 . 1 62 62 LYS HB3 H 1 1.922 0.030 . 1 . . . . A 62 LYS HB3 . 36264 1 742 . 1 . 1 62 62 LYS HG2 H 1 1.521 0.030 . 1 . . . . A 62 LYS HG2 . 36264 1 743 . 1 . 1 62 62 LYS HG3 H 1 1.521 0.030 . 1 . . . . A 62 LYS HG3 . 36264 1 744 . 1 . 1 62 62 LYS HD2 H 1 1.730 0.030 . 1 . . . . A 62 LYS HD2 . 36264 1 745 . 1 . 1 62 62 LYS HD3 H 1 1.730 0.030 . 1 . . . . A 62 LYS HD3 . 36264 1 746 . 1 . 1 62 62 LYS HE2 H 1 3.043 0.030 . 1 . . . . A 62 LYS HE2 . 36264 1 747 . 1 . 1 62 62 LYS HE3 H 1 3.043 0.030 . 1 . . . . A 62 LYS HE3 . 36264 1 748 . 1 . 1 62 62 LYS C C 13 177.672 0.300 . 1 . . . . A 62 LYS C . 36264 1 749 . 1 . 1 62 62 LYS CA C 13 58.555 0.300 . 1 . . . . A 62 LYS CA . 36264 1 750 . 1 . 1 62 62 LYS CB C 13 32.209 0.300 . 1 . . . . A 62 LYS CB . 36264 1 751 . 1 . 1 62 62 LYS CG C 13 24.825 0.300 . 1 . . . . A 62 LYS CG . 36264 1 752 . 1 . 1 62 62 LYS CD C 13 29.195 0.300 . 1 . . . . A 62 LYS CD . 36264 1 753 . 1 . 1 62 62 LYS CE C 13 42.129 0.300 . 1 . . . . A 62 LYS CE . 36264 1 754 . 1 . 1 62 62 LYS N N 15 117.824 0.300 . 1 . . . . A 62 LYS N . 36264 1 755 . 1 . 1 63 63 GLU H H 1 8.207 0.030 . 1 . . . . A 63 GLU H . 36264 1 756 . 1 . 1 63 63 GLU HA H 1 4.419 0.030 . 1 . . . . A 63 GLU HA . 36264 1 757 . 1 . 1 63 63 GLU HB2 H 1 2.134 0.030 . 2 . . . . A 63 GLU HB2 . 36264 1 758 . 1 . 1 63 63 GLU HB3 H 1 2.259 0.030 . 2 . . . . A 63 GLU HB3 . 36264 1 759 . 1 . 1 63 63 GLU HG2 H 1 2.251 0.030 . 2 . . . . A 63 GLU HG2 . 36264 1 760 . 1 . 1 63 63 GLU HG3 H 1 2.318 0.030 . 2 . . . . A 63 GLU HG3 . 36264 1 761 . 1 . 1 63 63 GLU C C 13 176.575 0.300 . 1 . . . . A 63 GLU C . 36264 1 762 . 1 . 1 63 63 GLU CA C 13 56.380 0.300 . 1 . . . . A 63 GLU CA . 36264 1 763 . 1 . 1 63 63 GLU CB C 13 29.841 0.300 . 1 . . . . A 63 GLU CB . 36264 1 764 . 1 . 1 63 63 GLU CG C 13 37.206 0.300 . 1 . . . . A 63 GLU CG . 36264 1 765 . 1 . 1 63 63 GLU N N 15 118.434 0.300 . 1 . . . . A 63 GLU N . 36264 1 766 . 1 . 1 64 64 GLY H H 1 8.261 0.030 . 1 . . . . A 64 GLY H . 36264 1 767 . 1 . 1 64 64 GLY HA2 H 1 3.656 0.030 . 1 . . . . A 64 GLY HA2 . 36264 1 768 . 1 . 1 64 64 GLY HA3 H 1 3.656 0.030 . 1 . . . . A 64 GLY HA3 . 36264 1 769 . 1 . 1 64 64 GLY C C 13 174.317 0.300 . 1 . . . . A 64 GLY C . 36264 1 770 . 1 . 1 64 64 GLY CA C 13 45.726 0.300 . 1 . . . . A 64 GLY CA . 36264 1 771 . 1 . 1 64 64 GLY N N 15 108.046 0.300 . 1 . . . . A 64 GLY N . 36264 1 772 . 1 . 1 65 65 ARG H H 1 8.635 0.030 . 1 . . . . A 65 ARG H . 36264 1 773 . 1 . 1 65 65 ARG HA H 1 4.612 0.030 . 1 . . . . A 65 ARG HA . 36264 1 774 . 1 . 1 65 65 ARG HB2 H 1 1.714 0.030 . 1 . . . . A 65 ARG HB2 . 36264 1 775 . 1 . 1 65 65 ARG HB3 H 1 1.714 0.030 . 1 . . . . A 65 ARG HB3 . 36264 1 776 . 1 . 1 65 65 ARG HG2 H 1 1.717 0.030 . 1 . . . . A 65 ARG HG2 . 36264 1 777 . 1 . 1 65 65 ARG HG3 H 1 1.717 0.030 . 1 . . . . A 65 ARG HG3 . 36264 1 778 . 1 . 1 65 65 ARG HD2 H 1 3.172 0.030 . 1 . . . . A 65 ARG HD2 . 36264 1 779 . 1 . 1 65 65 ARG HD3 H 1 3.172 0.030 . 1 . . . . A 65 ARG HD3 . 36264 1 780 . 1 . 1 65 65 ARG C C 13 177.040 0.300 . 1 . . . . A 65 ARG C . 36264 1 781 . 1 . 1 65 65 ARG CA C 13 54.756 0.300 . 1 . . . . A 65 ARG CA . 36264 1 782 . 1 . 1 65 65 ARG CB C 13 30.461 0.300 . 1 . . . . A 65 ARG CB . 36264 1 783 . 1 . 1 65 65 ARG CG C 13 27.031 0.300 . 1 . . . . A 65 ARG CG . 36264 1 784 . 1 . 1 65 65 ARG CD C 13 43.305 0.300 . 1 . . . . A 65 ARG CD . 36264 1 785 . 1 . 1 65 65 ARG N N 15 121.300 0.300 . 1 . . . . A 65 ARG N . 36264 1 786 . 1 . 1 66 66 THR H H 1 8.905 0.030 . 1 . . . . A 66 THR H . 36264 1 787 . 1 . 1 66 66 THR HA H 1 4.374 0.030 . 1 . . . . A 66 THR HA . 36264 1 788 . 1 . 1 66 66 THR HB H 1 3.926 0.030 . 1 . . . . A 66 THR HB . 36264 1 789 . 1 . 1 66 66 THR HG1 H 1 4.956 0.030 . 1 . . . . A 66 THR HG1 . 36264 1 790 . 1 . 1 66 66 THR HG21 H 1 0.746 0.030 . 1 . . . . A 66 THR HG21 . 36264 1 791 . 1 . 1 66 66 THR HG22 H 1 0.746 0.030 . 1 . . . . A 66 THR HG22 . 36264 1 792 . 1 . 1 66 66 THR HG23 H 1 0.746 0.030 . 1 . . . . A 66 THR HG23 . 36264 1 793 . 1 . 1 66 66 THR C C 13 174.256 0.300 . 1 . . . . A 66 THR C . 36264 1 794 . 1 . 1 66 66 THR CA C 13 64.867 0.300 . 1 . . . . A 66 THR CA . 36264 1 795 . 1 . 1 66 66 THR CB C 13 69.294 0.300 . 1 . . . . A 66 THR CB . 36264 1 796 . 1 . 1 66 66 THR CG2 C 13 21.807 0.300 . 1 . . . . A 66 THR CG2 . 36264 1 797 . 1 . 1 66 66 THR N N 15 121.186 0.300 . 1 . . . . A 66 THR N . 36264 1 798 . 1 . 1 67 67 HIS H H 1 9.507 0.030 . 1 . . . . A 67 HIS H . 36264 1 799 . 1 . 1 67 67 HIS HA H 1 5.294 0.030 . 1 . . . . A 67 HIS HA . 36264 1 800 . 1 . 1 67 67 HIS HB2 H 1 3.215 0.030 . 1 . . . . A 67 HIS HB2 . 36264 1 801 . 1 . 1 67 67 HIS HB3 H 1 3.215 0.030 . 1 . . . . A 67 HIS HB3 . 36264 1 802 . 1 . 1 67 67 HIS HD1 H 1 8.549 0.030 . 1 . . . . A 67 HIS HD1 . 36264 1 803 . 1 . 1 67 67 HIS HD2 H 1 6.489 0.030 . 1 . . . . A 67 HIS HD2 . 36264 1 804 . 1 . 1 67 67 HIS HE1 H 1 8.349 0.030 . 1 . . . . A 67 HIS HE1 . 36264 1 805 . 1 . 1 67 67 HIS C C 13 172.725 0.300 . 1 . . . . A 67 HIS C . 36264 1 806 . 1 . 1 67 67 HIS CA C 13 54.148 0.300 . 1 . . . . A 67 HIS CA . 36264 1 807 . 1 . 1 67 67 HIS CB C 13 31.385 0.300 . 1 . . . . A 67 HIS CB . 36264 1 808 . 1 . 1 67 67 HIS CD2 C 13 117.578 0.300 . 1 . . . . A 67 HIS CD2 . 36264 1 809 . 1 . 1 67 67 HIS CE1 C 13 136.804 0.300 . 1 . . . . A 67 HIS CE1 . 36264 1 810 . 1 . 1 67 67 HIS N N 15 126.847 0.300 . 1 . . . . A 67 HIS N . 36264 1 811 . 1 . 1 67 67 HIS ND1 N 15 126.630 0.300 . 1 . . . . A 67 HIS ND1 . 36264 1 812 . 1 . 1 68 68 HIS H H 1 9.073 0.030 . 1 . . . . A 68 HIS H . 36264 1 813 . 1 . 1 68 68 HIS HA H 1 5.186 0.030 . 1 . . . . A 68 HIS HA . 36264 1 814 . 1 . 1 68 68 HIS HB2 H 1 2.693 0.030 . 1 . . . . A 68 HIS HB2 . 36264 1 815 . 1 . 1 68 68 HIS HB3 H 1 2.693 0.030 . 1 . . . . A 68 HIS HB3 . 36264 1 816 . 1 . 1 68 68 HIS C C 13 174.567 0.300 . 1 . . . . A 68 HIS C . 36264 1 817 . 1 . 1 68 68 HIS CA C 13 54.790 0.300 . 1 . . . . A 68 HIS CA . 36264 1 818 . 1 . 1 68 68 HIS CB C 13 34.069 0.300 . 1 . . . . A 68 HIS CB . 36264 1 819 . 1 . 1 68 68 HIS N N 15 121.225 0.300 . 1 . . . . A 68 HIS N . 36264 1 820 . 1 . 1 69 69 TYR H H 1 9.424 0.030 . 1 . . . . A 69 TYR H . 36264 1 821 . 1 . 1 69 69 TYR HA H 1 5.435 0.030 . 1 . . . . A 69 TYR HA . 36264 1 822 . 1 . 1 69 69 TYR HB2 H 1 3.045 0.030 . 1 . . . . A 69 TYR HB2 . 36264 1 823 . 1 . 1 69 69 TYR HB3 H 1 3.045 0.030 . 1 . . . . A 69 TYR HB3 . 36264 1 824 . 1 . 1 69 69 TYR HD1 H 1 7.183 0.030 . 1 . . . . A 69 TYR HD1 . 36264 1 825 . 1 . 1 69 69 TYR HD2 H 1 7.183 0.030 . 1 . . . . A 69 TYR HD2 . 36264 1 826 . 1 . 1 69 69 TYR HE1 H 1 6.690 0.030 . 1 . . . . A 69 TYR HE1 . 36264 1 827 . 1 . 1 69 69 TYR HE2 H 1 6.690 0.030 . 1 . . . . A 69 TYR HE2 . 36264 1 828 . 1 . 1 69 69 TYR C C 13 175.297 0.300 . 1 . . . . A 69 TYR C . 36264 1 829 . 1 . 1 69 69 TYR CA C 13 56.561 0.300 . 1 . . . . A 69 TYR CA . 36264 1 830 . 1 . 1 69 69 TYR CB C 13 39.717 0.300 . 1 . . . . A 69 TYR CB . 36264 1 831 . 1 . 1 69 69 TYR CD1 C 13 133.234 0.300 . 1 . . . . A 69 TYR CD1 . 36264 1 832 . 1 . 1 69 69 TYR CD2 C 13 133.234 0.300 . 1 . . . . A 69 TYR CD2 . 36264 1 833 . 1 . 1 69 69 TYR CE1 C 13 118.067 0.300 . 1 . . . . A 69 TYR CE1 . 36264 1 834 . 1 . 1 69 69 TYR CE2 C 13 118.067 0.300 . 1 . . . . A 69 TYR CE2 . 36264 1 835 . 1 . 1 69 69 TYR N N 15 121.414 0.300 . 1 . . . . A 69 TYR N . 36264 1 836 . 1 . 1 70 70 MET H H 1 8.764 0.030 . 1 . . . . A 70 MET H . 36264 1 837 . 1 . 1 70 70 MET HA H 1 5.025 0.030 . 1 . . . . A 70 MET HA . 36264 1 838 . 1 . 1 70 70 MET HB2 H 1 1.883 0.030 . 2 . . . . A 70 MET HB2 . 36264 1 839 . 1 . 1 70 70 MET HB3 H 1 1.967 0.030 . 2 . . . . A 70 MET HB3 . 36264 1 840 . 1 . 1 70 70 MET HG2 H 1 2.386 0.030 . 2 . . . . A 70 MET HG2 . 36264 1 841 . 1 . 1 70 70 MET HG3 H 1 2.553 0.030 . 2 . . . . A 70 MET HG3 . 36264 1 842 . 1 . 1 70 70 MET C C 13 172.641 0.300 . 1 . . . . A 70 MET C . 36264 1 843 . 1 . 1 70 70 MET CA C 13 55.177 0.300 . 1 . . . . A 70 MET CA . 36264 1 844 . 1 . 1 70 70 MET CB C 13 38.336 0.300 . 1 . . . . A 70 MET CB . 36264 1 845 . 1 . 1 70 70 MET CG C 13 32.358 0.300 . 1 . . . . A 70 MET CG . 36264 1 846 . 1 . 1 70 70 MET N N 15 123.254 0.300 . 1 . . . . A 70 MET N . 36264 1 847 . 1 . 1 71 71 ARG H H 1 8.503 0.030 . 1 . . . . A 71 ARG H . 36264 1 848 . 1 . 1 71 71 ARG HA H 1 5.560 0.030 . 1 . . . . A 71 ARG HA . 36264 1 849 . 1 . 1 71 71 ARG HB2 H 1 1.504 0.030 . 1 . . . . A 71 ARG HB2 . 36264 1 850 . 1 . 1 71 71 ARG HB3 H 1 1.504 0.030 . 1 . . . . A 71 ARG HB3 . 36264 1 851 . 1 . 1 71 71 ARG HG2 H 1 1.384 0.030 . 2 . . . . A 71 ARG HG2 . 36264 1 852 . 1 . 1 71 71 ARG HG3 H 1 1.498 0.030 . 2 . . . . A 71 ARG HG3 . 36264 1 853 . 1 . 1 71 71 ARG HD2 H 1 3.146 0.030 . 1 . . . . A 71 ARG HD2 . 36264 1 854 . 1 . 1 71 71 ARG HD3 H 1 3.146 0.030 . 1 . . . . A 71 ARG HD3 . 36264 1 855 . 1 . 1 71 71 ARG HE H 1 4.834 0.030 . 1 . . . . A 71 ARG HE . 36264 1 856 . 1 . 1 71 71 ARG C C 13 175.093 0.300 . 1 . . . . A 71 ARG C . 36264 1 857 . 1 . 1 71 71 ARG CA C 13 53.852 0.300 . 1 . . . . A 71 ARG CA . 36264 1 858 . 1 . 1 71 71 ARG CB C 13 34.300 0.300 . 1 . . . . A 71 ARG CB . 36264 1 859 . 1 . 1 71 71 ARG CG C 13 27.172 0.300 . 1 . . . . A 71 ARG CG . 36264 1 860 . 1 . 1 71 71 ARG CD C 13 44.030 0.300 . 1 . . . . A 71 ARG CD . 36264 1 861 . 1 . 1 71 71 ARG N N 15 123.645 0.300 . 1 . . . . A 71 ARG N . 36264 1 862 . 1 . 1 72 72 PHE H H 1 8.354 0.030 . 1 . . . . A 72 PHE H . 36264 1 863 . 1 . 1 72 72 PHE HA H 1 4.739 0.030 . 1 . . . . A 72 PHE HA . 36264 1 864 . 1 . 1 72 72 PHE HB2 H 1 3.284 0.030 . 1 . . . . A 72 PHE HB2 . 36264 1 865 . 1 . 1 72 72 PHE HB3 H 1 3.284 0.030 . 1 . . . . A 72 PHE HB3 . 36264 1 866 . 1 . 1 72 72 PHE C C 13 171.831 0.300 . 1 . . . . A 72 PHE C . 36264 1 867 . 1 . 1 72 72 PHE CA C 13 56.495 0.300 . 1 . . . . A 72 PHE CA . 36264 1 868 . 1 . 1 72 72 PHE CB C 13 39.361 0.300 . 1 . . . . A 72 PHE CB . 36264 1 869 . 1 . 1 72 72 PHE N N 15 115.093 0.300 . 1 . . . . A 72 PHE N . 36264 1 870 . 1 . 1 73 73 HIS H H 1 9.292 0.030 . 1 . . . . A 73 HIS H . 36264 1 871 . 1 . 1 73 73 HIS HA H 1 5.541 0.030 . 1 . . . . A 73 HIS HA . 36264 1 872 . 1 . 1 73 73 HIS HB2 H 1 2.102 0.030 . 1 . . . . A 73 HIS HB2 . 36264 1 873 . 1 . 1 73 73 HIS HB3 H 1 2.102 0.030 . 1 . . . . A 73 HIS HB3 . 36264 1 874 . 1 . 1 73 73 HIS C C 13 175.595 0.300 . 1 . . . . A 73 HIS C . 36264 1 875 . 1 . 1 73 73 HIS CA C 13 55.284 0.300 . 1 . . . . A 73 HIS CA . 36264 1 876 . 1 . 1 73 73 HIS CB C 13 31.285 0.300 . 1 . . . . A 73 HIS CB . 36264 1 877 . 1 . 1 73 73 HIS N N 15 117.832 0.300 . 1 . . . . A 73 HIS N . 36264 1 878 . 1 . 1 74 74 VAL H H 1 8.049 0.030 . 1 . . . . A 74 VAL H . 36264 1 879 . 1 . 1 74 74 VAL HA H 1 5.176 0.030 . 1 . . . . A 74 VAL HA . 36264 1 880 . 1 . 1 74 74 VAL HB H 1 1.738 0.030 . 1 . . . . A 74 VAL HB . 36264 1 881 . 1 . 1 74 74 VAL HG11 H 1 0.892 0.030 . 1 . . . . A 74 VAL HG11 . 36264 1 882 . 1 . 1 74 74 VAL HG12 H 1 0.892 0.030 . 1 . . . . A 74 VAL HG12 . 36264 1 883 . 1 . 1 74 74 VAL HG13 H 1 0.892 0.030 . 1 . . . . A 74 VAL HG13 . 36264 1 884 . 1 . 1 74 74 VAL HG21 H 1 0.891 0.030 . 1 . . . . A 74 VAL HG21 . 36264 1 885 . 1 . 1 74 74 VAL HG22 H 1 0.891 0.030 . 1 . . . . A 74 VAL HG22 . 36264 1 886 . 1 . 1 74 74 VAL HG23 H 1 0.891 0.030 . 1 . . . . A 74 VAL HG23 . 36264 1 887 . 1 . 1 74 74 VAL C C 13 173.502 0.300 . 1 . . . . A 74 VAL C . 36264 1 888 . 1 . 1 74 74 VAL CA C 13 60.246 0.300 . 1 . . . . A 74 VAL CA . 36264 1 889 . 1 . 1 74 74 VAL CB C 13 35.441 0.300 . 1 . . . . A 74 VAL CB . 36264 1 890 . 1 . 1 74 74 VAL CG1 C 13 22.044 0.300 . 1 . . . . A 74 VAL CG1 . 36264 1 891 . 1 . 1 74 74 VAL CG2 C 13 22.044 0.300 . 1 . . . . A 74 VAL CG2 . 36264 1 892 . 1 . 1 74 74 VAL N N 15 115.038 0.300 . 1 . . . . A 74 VAL N . 36264 1 893 . 1 . 1 75 75 GLU H H 1 9.319 0.030 . 1 . . . . A 75 GLU H . 36264 1 894 . 1 . 1 75 75 GLU HA H 1 5.478 0.030 . 1 . . . . A 75 GLU HA . 36264 1 895 . 1 . 1 75 75 GLU HB2 H 1 2.088 0.030 . 2 . . . . A 75 GLU HB2 . 36264 1 896 . 1 . 1 75 75 GLU HB3 H 1 2.321 0.030 . 2 . . . . A 75 GLU HB3 . 36264 1 897 . 1 . 1 75 75 GLU HG2 H 1 2.313 0.030 . 2 . . . . A 75 GLU HG2 . 36264 1 898 . 1 . 1 75 75 GLU HG3 H 1 2.580 0.030 . 2 . . . . A 75 GLU HG3 . 36264 1 899 . 1 . 1 75 75 GLU C C 13 175.608 0.300 . 1 . . . . A 75 GLU C . 36264 1 900 . 1 . 1 75 75 GLU CA C 13 54.813 0.300 . 1 . . . . A 75 GLU CA . 36264 1 901 . 1 . 1 75 75 GLU CB C 13 34.368 0.300 . 1 . . . . A 75 GLU CB . 36264 1 902 . 1 . 1 75 75 GLU CG C 13 36.308 0.300 . 1 . . . . A 75 GLU CG . 36264 1 903 . 1 . 1 75 75 GLU N N 15 126.335 0.300 . 1 . . . . A 75 GLU N . 36264 1 904 . 1 . 1 76 76 SER H H 1 9.514 0.030 . 1 . . . . A 76 SER H . 36264 1 905 . 1 . 1 76 76 SER HA H 1 5.002 0.030 . 1 . . . . A 76 SER HA . 36264 1 906 . 1 . 1 76 76 SER HB2 H 1 3.670 0.030 . 2 . . . . A 76 SER HB2 . 36264 1 907 . 1 . 1 76 76 SER HB3 H 1 4.703 0.030 . 2 . . . . A 76 SER HB3 . 36264 1 908 . 1 . 1 76 76 SER C C 13 174.089 0.300 . 1 . . . . A 76 SER C . 36264 1 909 . 1 . 1 76 76 SER CA C 13 55.550 0.300 . 1 . . . . A 76 SER CA . 36264 1 910 . 1 . 1 76 76 SER CB C 13 68.155 0.300 . 1 . . . . A 76 SER CB . 36264 1 911 . 1 . 1 76 76 SER N N 15 124.465 0.300 . 1 . . . . A 76 SER N . 36264 1 912 . 1 . 1 77 77 LYS H H 1 10.102 0.030 . 1 . . . . A 77 LYS H . 36264 1 913 . 1 . 1 77 77 LYS HA H 1 4.105 0.030 . 1 . . . . A 77 LYS HA . 36264 1 914 . 1 . 1 77 77 LYS HB2 H 1 1.877 0.030 . 2 . . . . A 77 LYS HB2 . 36264 1 915 . 1 . 1 77 77 LYS HB3 H 1 2.055 0.030 . 2 . . . . A 77 LYS HB3 . 36264 1 916 . 1 . 1 77 77 LYS HG2 H 1 1.603 0.030 . 2 . . . . A 77 LYS HG2 . 36264 1 917 . 1 . 1 77 77 LYS HG3 H 1 1.710 0.030 . 2 . . . . A 77 LYS HG3 . 36264 1 918 . 1 . 1 77 77 LYS HD2 H 1 1.784 0.030 . 1 . . . . A 77 LYS HD2 . 36264 1 919 . 1 . 1 77 77 LYS HD3 H 1 1.784 0.030 . 1 . . . . A 77 LYS HD3 . 36264 1 920 . 1 . 1 77 77 LYS C C 13 178.196 0.300 . 1 . . . . A 77 LYS C . 36264 1 921 . 1 . 1 77 77 LYS CA C 13 59.671 0.300 . 1 . . . . A 77 LYS CA . 36264 1 922 . 1 . 1 77 77 LYS CB C 13 31.893 0.300 . 1 . . . . A 77 LYS CB . 36264 1 923 . 1 . 1 77 77 LYS CG C 13 25.936 0.300 . 1 . . . . A 77 LYS CG . 36264 1 924 . 1 . 1 77 77 LYS CD C 13 33.251 0.300 . 1 . . . . A 77 LYS CD . 36264 1 925 . 1 . 1 77 77 LYS CE C 13 42.145 0.300 . 1 . . . . A 77 LYS CE . 36264 1 926 . 1 . 1 77 77 LYS N N 15 119.404 0.300 . 1 . . . . A 77 LYS N . 36264 1 927 . 1 . 1 78 78 LYS H H 1 7.882 0.030 . 1 . . . . A 78 LYS H . 36264 1 928 . 1 . 1 78 78 LYS HA H 1 4.462 0.030 . 1 . . . . A 78 LYS HA . 36264 1 929 . 1 . 1 78 78 LYS HB2 H 1 1.779 0.030 . 1 . . . . A 78 LYS HB2 . 36264 1 930 . 1 . 1 78 78 LYS HB3 H 1 1.779 0.030 . 1 . . . . A 78 LYS HB3 . 36264 1 931 . 1 . 1 78 78 LYS HG2 H 1 1.441 0.030 . 1 . . . . A 78 LYS HG2 . 36264 1 932 . 1 . 1 78 78 LYS HG3 H 1 1.441 0.030 . 1 . . . . A 78 LYS HG3 . 36264 1 933 . 1 . 1 78 78 LYS HD2 H 1 1.791 0.030 . 1 . . . . A 78 LYS HD2 . 36264 1 934 . 1 . 1 78 78 LYS HD3 H 1 1.791 0.030 . 1 . . . . A 78 LYS HD3 . 36264 1 935 . 1 . 1 78 78 LYS HE2 H 1 3.089 0.030 . 1 . . . . A 78 LYS HE2 . 36264 1 936 . 1 . 1 78 78 LYS HE3 H 1 3.089 0.030 . 1 . . . . A 78 LYS HE3 . 36264 1 937 . 1 . 1 78 78 LYS C C 13 177.019 0.300 . 1 . . . . A 78 LYS C . 36264 1 938 . 1 . 1 78 78 LYS CA C 13 56.728 0.300 . 1 . . . . A 78 LYS CA . 36264 1 939 . 1 . 1 78 78 LYS CB C 13 36.817 0.300 . 1 . . . . A 78 LYS CB . 36264 1 940 . 1 . 1 78 78 LYS CG C 13 25.228 0.300 . 1 . . . . A 78 LYS CG . 36264 1 941 . 1 . 1 78 78 LYS CD C 13 29.049 0.300 . 1 . . . . A 78 LYS CD . 36264 1 942 . 1 . 1 78 78 LYS CE C 13 42.240 0.300 . 1 . . . . A 78 LYS CE . 36264 1 943 . 1 . 1 78 78 LYS N N 15 114.813 0.300 . 1 . . . . A 78 LYS N . 36264 1 944 . 1 . 1 79 79 LYS H H 1 8.045 0.030 . 1 . . . . A 79 LYS H . 36264 1 945 . 1 . 1 79 79 LYS HA H 1 4.851 0.030 . 1 . . . . A 79 LYS HA . 36264 1 946 . 1 . 1 79 79 LYS HE2 H 1 2.835 0.030 . 2 . . . . A 79 LYS HE2 . 36264 1 947 . 1 . 1 79 79 LYS HE3 H 1 2.988 0.030 . 2 . . . . A 79 LYS HE3 . 36264 1 948 . 1 . 1 79 79 LYS C C 13 173.283 0.300 . 1 . . . . A 79 LYS C . 36264 1 949 . 1 . 1 79 79 LYS CA C 13 54.062 0.300 . 1 . . . . A 79 LYS CA . 36264 1 950 . 1 . 1 79 79 LYS CG C 13 20.727 0.300 . 1 . . . . A 79 LYS CG . 36264 1 951 . 1 . 1 79 79 LYS CE C 13 42.314 0.300 . 1 . . . . A 79 LYS CE . 36264 1 952 . 1 . 1 79 79 LYS N N 15 119.033 0.300 . 1 . . . . A 79 LYS N . 36264 1 953 . 1 . 1 80 80 ILE H H 1 7.985 0.030 . 1 . . . . A 80 ILE H . 36264 1 954 . 1 . 1 80 80 ILE HA H 1 4.682 0.030 . 1 . . . . A 80 ILE HA . 36264 1 955 . 1 . 1 80 80 ILE HB H 1 1.677 0.030 . 1 . . . . A 80 ILE HB . 36264 1 956 . 1 . 1 80 80 ILE HG12 H 1 0.893 0.030 . 2 . . . . A 80 ILE HG12 . 36264 1 957 . 1 . 1 80 80 ILE HG13 H 1 1.678 0.030 . 2 . . . . A 80 ILE HG13 . 36264 1 958 . 1 . 1 80 80 ILE HG21 H 1 0.889 0.030 . 1 . . . . A 80 ILE HG21 . 36264 1 959 . 1 . 1 80 80 ILE HG22 H 1 0.889 0.030 . 1 . . . . A 80 ILE HG22 . 36264 1 960 . 1 . 1 80 80 ILE HG23 H 1 0.889 0.030 . 1 . . . . A 80 ILE HG23 . 36264 1 961 . 1 . 1 80 80 ILE HD11 H 1 0.823 0.030 . 1 . . . . A 80 ILE HD11 . 36264 1 962 . 1 . 1 80 80 ILE HD12 H 1 0.823 0.030 . 1 . . . . A 80 ILE HD12 . 36264 1 963 . 1 . 1 80 80 ILE HD13 H 1 0.823 0.030 . 1 . . . . A 80 ILE HD13 . 36264 1 964 . 1 . 1 80 80 ILE C C 13 174.742 0.300 . 1 . . . . A 80 ILE C . 36264 1 965 . 1 . 1 80 80 ILE CA C 13 61.111 0.300 . 1 . . . . A 80 ILE CA . 36264 1 966 . 1 . 1 80 80 ILE CB C 13 40.391 0.300 . 1 . . . . A 80 ILE CB . 36264 1 967 . 1 . 1 80 80 ILE CG1 C 13 28.272 0.300 . 1 . . . . A 80 ILE CG1 . 36264 1 968 . 1 . 1 80 80 ILE CG2 C 13 17.905 0.300 . 1 . . . . A 80 ILE CG2 . 36264 1 969 . 1 . 1 80 80 ILE CD1 C 13 14.134 0.300 . 1 . . . . A 80 ILE CD1 . 36264 1 970 . 1 . 1 80 80 ILE N N 15 118.442 0.300 . 1 . . . . A 80 ILE N . 36264 1 971 . 1 . 1 81 81 ALA H H 1 9.303 0.030 . 1 . . . . A 81 ALA H . 36264 1 972 . 1 . 1 81 81 ALA HA H 1 5.145 0.030 . 1 . . . . A 81 ALA HA . 36264 1 973 . 1 . 1 81 81 ALA HB1 H 1 1.230 0.030 . 1 . . . . A 81 ALA HB1 . 36264 1 974 . 1 . 1 81 81 ALA HB2 H 1 1.230 0.030 . 1 . . . . A 81 ALA HB2 . 36264 1 975 . 1 . 1 81 81 ALA HB3 H 1 1.230 0.030 . 1 . . . . A 81 ALA HB3 . 36264 1 976 . 1 . 1 81 81 ALA C C 13 176.239 0.300 . 1 . . . . A 81 ALA C . 36264 1 977 . 1 . 1 81 81 ALA CA C 13 49.757 0.300 . 1 . . . . A 81 ALA CA . 36264 1 978 . 1 . 1 81 81 ALA CB C 13 24.289 0.300 . 1 . . . . A 81 ALA CB . 36264 1 979 . 1 . 1 81 81 ALA N N 15 127.324 0.300 . 1 . . . . A 81 ALA N . 36264 1 980 . 1 . 1 82 82 LEU H H 1 8.407 0.030 . 1 . . . . A 82 LEU H . 36264 1 981 . 1 . 1 82 82 LEU HA H 1 4.656 0.030 . 1 . . . . A 82 LEU HA . 36264 1 982 . 1 . 1 82 82 LEU HB2 H 1 1.538 0.030 . 2 . . . . A 82 LEU HB2 . 36264 1 983 . 1 . 1 82 82 LEU HB3 H 1 1.838 0.030 . 2 . . . . A 82 LEU HB3 . 36264 1 984 . 1 . 1 82 82 LEU HD11 H 1 0.416 0.030 . 1 . . . . A 82 LEU HD11 . 36264 1 985 . 1 . 1 82 82 LEU HD12 H 1 0.416 0.030 . 1 . . . . A 82 LEU HD12 . 36264 1 986 . 1 . 1 82 82 LEU HD13 H 1 0.416 0.030 . 1 . . . . A 82 LEU HD13 . 36264 1 987 . 1 . 1 82 82 LEU C C 13 174.477 0.300 . 1 . . . . A 82 LEU C . 36264 1 988 . 1 . 1 82 82 LEU CA C 13 54.096 0.300 . 1 . . . . A 82 LEU CA . 36264 1 989 . 1 . 1 82 82 LEU CB C 13 44.945 0.300 . 1 . . . . A 82 LEU CB . 36264 1 990 . 1 . 1 82 82 LEU CD1 C 13 22.554 0.300 . 1 . . . . A 82 LEU CD1 . 36264 1 991 . 1 . 1 82 82 LEU CD2 C 13 22.554 0.300 . 1 . . . . A 82 LEU CD2 . 36264 1 992 . 1 . 1 82 82 LEU N N 15 122.832 0.300 . 1 . . . . A 82 LEU N . 36264 1 993 . 1 . 1 83 83 VAL H H 1 9.091 0.030 . 1 . . . . A 83 VAL H . 36264 1 994 . 1 . 1 83 83 VAL HA H 1 4.368 0.030 . 1 . . . . A 83 VAL HA . 36264 1 995 . 1 . 1 83 83 VAL HB H 1 0.303 0.030 . 1 . . . . A 83 VAL HB . 36264 1 996 . 1 . 1 83 83 VAL HG11 H 1 0.305 0.030 . 2 . . . . A 83 VAL HG11 . 36264 1 997 . 1 . 1 83 83 VAL HG12 H 1 0.305 0.030 . 2 . . . . A 83 VAL HG12 . 36264 1 998 . 1 . 1 83 83 VAL HG13 H 1 0.305 0.030 . 2 . . . . A 83 VAL HG13 . 36264 1 999 . 1 . 1 83 83 VAL HG21 H 1 0.468 0.030 . 2 . . . . A 83 VAL HG21 . 36264 1 1000 . 1 . 1 83 83 VAL HG22 H 1 0.468 0.030 . 2 . . . . A 83 VAL HG22 . 36264 1 1001 . 1 . 1 83 83 VAL HG23 H 1 0.468 0.030 . 2 . . . . A 83 VAL HG23 . 36264 1 1002 . 1 . 1 83 83 VAL C C 13 173.515 0.300 . 1 . . . . A 83 VAL C . 36264 1 1003 . 1 . 1 83 83 VAL CA C 13 60.711 0.300 . 1 . . . . A 83 VAL CA . 36264 1 1004 . 1 . 1 83 83 VAL CB C 13 32.084 0.300 . 1 . . . . A 83 VAL CB . 36264 1 1005 . 1 . 1 83 83 VAL CG1 C 13 21.424 0.300 . 2 . . . . A 83 VAL CG1 . 36264 1 1006 . 1 . 1 83 83 VAL CG2 C 13 21.848 0.300 . 2 . . . . A 83 VAL CG2 . 36264 1 1007 . 1 . 1 83 83 VAL N N 15 127.961 0.300 . 1 . . . . A 83 VAL N . 36264 1 1008 . 1 . 1 84 84 HIS H H 1 8.216 0.030 . 1 . . . . A 84 HIS H . 36264 1 1009 . 1 . 1 84 84 HIS HA H 1 4.868 0.030 . 1 . . . . A 84 HIS HA . 36264 1 1010 . 1 . 1 84 84 HIS HB2 H 1 2.038 0.030 . 1 . . . . A 84 HIS HB2 . 36264 1 1011 . 1 . 1 84 84 HIS HB3 H 1 2.038 0.030 . 1 . . . . A 84 HIS HB3 . 36264 1 1012 . 1 . 1 84 84 HIS C C 13 173.822 0.300 . 1 . . . . A 84 HIS C . 36264 1 1013 . 1 . 1 84 84 HIS CA C 13 54.675 0.300 . 1 . . . . A 84 HIS CA . 36264 1 1014 . 1 . 1 84 84 HIS CB C 13 32.984 0.300 . 1 . . . . A 84 HIS CB . 36264 1 1015 . 1 . 1 84 84 HIS N N 15 123.575 0.300 . 1 . . . . A 84 HIS N . 36264 1 1016 . 1 . 1 85 85 LEU H H 1 8.794 0.030 . 1 . . . . A 85 LEU H . 36264 1 1017 . 1 . 1 85 85 LEU HA H 1 5.166 0.030 . 1 . . . . A 85 LEU HA . 36264 1 1018 . 1 . 1 85 85 LEU HB2 H 1 1.601 0.030 . 2 . . . . A 85 LEU HB2 . 36264 1 1019 . 1 . 1 85 85 LEU HB3 H 1 1.630 0.030 . 2 . . . . A 85 LEU HB3 . 36264 1 1020 . 1 . 1 85 85 LEU HG H 1 1.738 0.030 . 1 . . . . A 85 LEU HG . 36264 1 1021 . 1 . 1 85 85 LEU HD11 H 1 0.667 0.030 . 2 . . . . A 85 LEU HD11 . 36264 1 1022 . 1 . 1 85 85 LEU HD12 H 1 0.667 0.030 . 2 . . . . A 85 LEU HD12 . 36264 1 1023 . 1 . 1 85 85 LEU HD13 H 1 0.667 0.030 . 2 . . . . A 85 LEU HD13 . 36264 1 1024 . 1 . 1 85 85 LEU HD21 H 1 0.782 0.030 . 2 . . . . A 85 LEU HD21 . 36264 1 1025 . 1 . 1 85 85 LEU HD22 H 1 0.782 0.030 . 2 . . . . A 85 LEU HD22 . 36264 1 1026 . 1 . 1 85 85 LEU HD23 H 1 0.782 0.030 . 2 . . . . A 85 LEU HD23 . 36264 1 1027 . 1 . 1 85 85 LEU C C 13 173.860 0.300 . 1 . . . . A 85 LEU C . 36264 1 1028 . 1 . 1 85 85 LEU CA C 13 53.791 0.300 . 1 . . . . A 85 LEU CA . 36264 1 1029 . 1 . 1 85 85 LEU CB C 13 46.777 0.300 . 1 . . . . A 85 LEU CB . 36264 1 1030 . 1 . 1 85 85 LEU CG C 13 25.878 0.300 . 1 . . . . A 85 LEU CG . 36264 1 1031 . 1 . 1 85 85 LEU CD1 C 13 24.200 0.300 . 2 . . . . A 85 LEU CD1 . 36264 1 1032 . 1 . 1 85 85 LEU CD2 C 13 28.486 0.300 . 2 . . . . A 85 LEU CD2 . 36264 1 1033 . 1 . 1 85 85 LEU N N 15 121.419 0.300 . 1 . . . . A 85 LEU N . 36264 1 1034 . 1 . 1 86 86 GLU H H 1 8.852 0.030 . 1 . . . . A 86 GLU H . 36264 1 1035 . 1 . 1 86 86 GLU HA H 1 5.349 0.030 . 1 . . . . A 86 GLU HA . 36264 1 1036 . 1 . 1 86 86 GLU HB2 H 1 1.934 0.030 . 2 . . . . A 86 GLU HB2 . 36264 1 1037 . 1 . 1 86 86 GLU HB3 H 1 2.038 0.030 . 2 . . . . A 86 GLU HB3 . 36264 1 1038 . 1 . 1 86 86 GLU HG2 H 1 1.896 0.030 . 1 . . . . A 86 GLU HG2 . 36264 1 1039 . 1 . 1 86 86 GLU HG3 H 1 1.896 0.030 . 1 . . . . A 86 GLU HG3 . 36264 1 1040 . 1 . 1 86 86 GLU CA C 13 54.070 0.300 . 1 . . . . A 86 GLU CA . 36264 1 1041 . 1 . 1 86 86 GLU CB C 13 33.559 0.300 . 1 . . . . A 86 GLU CB . 36264 1 1042 . 1 . 1 86 86 GLU CG C 13 36.340 0.300 . 1 . . . . A 86 GLU CG . 36264 1 1043 . 1 . 1 86 86 GLU N N 15 122.442 0.300 . 1 . . . . A 86 GLU N . 36264 1 1044 . 1 . 1 87 87 ALA H H 1 9.419 0.030 . 1 . . . . A 87 ALA H . 36264 1 1045 . 1 . 1 87 87 ALA HA H 1 5.445 0.030 . 1 . . . . A 87 ALA HA . 36264 1 1046 . 1 . 1 87 87 ALA HB1 H 1 0.984 0.030 . 1 . . . . A 87 ALA HB1 . 36264 1 1047 . 1 . 1 87 87 ALA HB2 H 1 0.984 0.030 . 1 . . . . A 87 ALA HB2 . 36264 1 1048 . 1 . 1 87 87 ALA HB3 H 1 0.984 0.030 . 1 . . . . A 87 ALA HB3 . 36264 1 1049 . 1 . 1 87 87 ALA C C 13 175.108 0.300 . 1 . . . . A 87 ALA C . 36264 1 1050 . 1 . 1 87 87 ALA CA C 13 49.606 0.300 . 1 . . . . A 87 ALA CA . 36264 1 1051 . 1 . 1 87 87 ALA CB C 13 23.562 0.300 . 1 . . . . A 87 ALA CB . 36264 1 1052 . 1 . 1 87 87 ALA N N 15 129.208 0.300 . 1 . . . . A 87 ALA N . 36264 1 1053 . 1 . 1 88 88 LYS H H 1 9.245 0.030 . 1 . . . . A 88 LYS H . 36264 1 1054 . 1 . 1 88 88 LYS HA H 1 4.927 0.030 . 1 . . . . A 88 LYS HA . 36264 1 1055 . 1 . 1 88 88 LYS HB2 H 1 1.116 0.030 . 2 . . . . A 88 LYS HB2 . 36264 1 1056 . 1 . 1 88 88 LYS HB3 H 1 1.490 0.030 . 2 . . . . A 88 LYS HB3 . 36264 1 1057 . 1 . 1 88 88 LYS HG2 H 1 0.776 0.030 . 1 . . . . A 88 LYS HG2 . 36264 1 1058 . 1 . 1 88 88 LYS HG3 H 1 0.776 0.030 . 1 . . . . A 88 LYS HG3 . 36264 1 1059 . 1 . 1 88 88 LYS HE2 H 1 2.827 0.030 . 1 . . . . A 88 LYS HE2 . 36264 1 1060 . 1 . 1 88 88 LYS HE3 H 1 2.827 0.030 . 1 . . . . A 88 LYS HE3 . 36264 1 1061 . 1 . 1 88 88 LYS C C 13 174.814 0.300 . 1 . . . . A 88 LYS C . 36264 1 1062 . 1 . 1 88 88 LYS CA C 13 54.924 0.300 . 1 . . . . A 88 LYS CA . 36264 1 1063 . 1 . 1 88 88 LYS CB C 13 36.704 0.300 . 1 . . . . A 88 LYS CB . 36264 1 1064 . 1 . 1 88 88 LYS CG C 13 24.495 0.300 . 1 . . . . A 88 LYS CG . 36264 1 1065 . 1 . 1 88 88 LYS CE C 13 41.932 0.300 . 1 . . . . A 88 LYS CE . 36264 1 1066 . 1 . 1 88 88 LYS N N 15 121.504 0.300 . 1 . . . . A 88 LYS N . 36264 1 1067 . 1 . 1 89 89 GLU H H 1 8.551 0.030 . 1 . . . . A 89 GLU H . 36264 1 1068 . 1 . 1 89 89 GLU HA H 1 4.255 0.030 . 1 . . . . A 89 GLU HA . 36264 1 1069 . 1 . 1 89 89 GLU HB2 H 1 2.121 0.030 . 1 . . . . A 89 GLU HB2 . 36264 1 1070 . 1 . 1 89 89 GLU HB3 H 1 2.121 0.030 . 1 . . . . A 89 GLU HB3 . 36264 1 1071 . 1 . 1 89 89 GLU HG2 H 1 2.373 0.030 . 1 . . . . A 89 GLU HG2 . 36264 1 1072 . 1 . 1 89 89 GLU HG3 H 1 2.373 0.030 . 1 . . . . A 89 GLU HG3 . 36264 1 1073 . 1 . 1 89 89 GLU C C 13 175.287 0.300 . 1 . . . . A 89 GLU C . 36264 1 1074 . 1 . 1 89 89 GLU CA C 13 56.771 0.300 . 1 . . . . A 89 GLU CA . 36264 1 1075 . 1 . 1 89 89 GLU CB C 13 31.081 0.300 . 1 . . . . A 89 GLU CB . 36264 1 1076 . 1 . 1 89 89 GLU CG C 13 36.302 0.300 . 1 . . . . A 89 GLU CG . 36264 1 1077 . 1 . 1 89 89 GLU N N 15 126.617 0.300 . 1 . . . . A 89 GLU N . 36264 1 1078 . 1 . 1 90 90 SER H H 1 8.885 0.030 . 1 . . . . A 90 SER H . 36264 1 1079 . 1 . 1 90 90 SER HA H 1 4.509 0.030 . 1 . . . . A 90 SER HA . 36264 1 1080 . 1 . 1 90 90 SER HB2 H 1 3.862 0.030 . 1 . . . . A 90 SER HB2 . 36264 1 1081 . 1 . 1 90 90 SER HB3 H 1 3.862 0.030 . 1 . . . . A 90 SER HB3 . 36264 1 1082 . 1 . 1 90 90 SER C C 13 174.912 0.300 . 1 . . . . A 90 SER C . 36264 1 1083 . 1 . 1 90 90 SER CA C 13 57.836 0.300 . 1 . . . . A 90 SER CA . 36264 1 1084 . 1 . 1 90 90 SER CB C 13 64.526 0.300 . 1 . . . . A 90 SER CB . 36264 1 1085 . 1 . 1 90 90 SER N N 15 120.656 0.300 . 1 . . . . A 90 SER N . 36264 1 1086 . 1 . 1 91 91 LYS H H 1 8.462 0.030 . 1 . . . . A 91 LYS H . 36264 1 1087 . 1 . 1 91 91 LYS HA H 1 4.310 0.030 . 1 . . . . A 91 LYS HA . 36264 1 1088 . 1 . 1 91 91 LYS HB2 H 1 1.636 0.030 . 2 . . . . A 91 LYS HB2 . 36264 1 1089 . 1 . 1 91 91 LYS HB3 H 1 1.800 0.030 . 2 . . . . A 91 LYS HB3 . 36264 1 1090 . 1 . 1 91 91 LYS HG2 H 1 1.407 0.030 . 1 . . . . A 91 LYS HG2 . 36264 1 1091 . 1 . 1 91 91 LYS HG3 H 1 1.407 0.030 . 1 . . . . A 91 LYS HG3 . 36264 1 1092 . 1 . 1 91 91 LYS HD2 H 1 1.586 0.030 . 1 . . . . A 91 LYS HD2 . 36264 1 1093 . 1 . 1 91 91 LYS HD3 H 1 1.586 0.030 . 1 . . . . A 91 LYS HD3 . 36264 1 1094 . 1 . 1 91 91 LYS HE2 H 1 2.889 0.030 . 1 . . . . A 91 LYS HE2 . 36264 1 1095 . 1 . 1 91 91 LYS HE3 H 1 2.889 0.030 . 1 . . . . A 91 LYS HE3 . 36264 1 1096 . 1 . 1 91 91 LYS C C 13 176.417 0.300 . 1 . . . . A 91 LYS C . 36264 1 1097 . 1 . 1 91 91 LYS CA C 13 56.595 0.300 . 1 . . . . A 91 LYS CA . 36264 1 1098 . 1 . 1 91 91 LYS CB C 13 33.483 0.300 . 1 . . . . A 91 LYS CB . 36264 1 1099 . 1 . 1 91 91 LYS CG C 13 24.937 0.300 . 1 . . . . A 91 LYS CG . 36264 1 1100 . 1 . 1 91 91 LYS CD C 13 29.094 0.300 . 1 . . . . A 91 LYS CD . 36264 1 1101 . 1 . 1 91 91 LYS CE C 13 41.987 0.300 . 1 . . . . A 91 LYS CE . 36264 1 1102 . 1 . 1 91 91 LYS N N 15 122.326 0.300 . 1 . . . . A 91 LYS N . 36264 1 1103 . 1 . 1 92 92 GLN H H 1 8.399 0.030 . 1 . . . . A 92 GLN H . 36264 1 1104 . 1 . 1 92 92 GLN HA H 1 4.245 0.030 . 1 . . . . A 92 GLN HA . 36264 1 1105 . 1 . 1 92 92 GLN HB2 H 1 1.968 0.030 . 2 . . . . A 92 GLN HB2 . 36264 1 1106 . 1 . 1 92 92 GLN HB3 H 1 2.044 0.030 . 2 . . . . A 92 GLN HB3 . 36264 1 1107 . 1 . 1 92 92 GLN HG2 H 1 2.373 0.030 . 1 . . . . A 92 GLN HG2 . 36264 1 1108 . 1 . 1 92 92 GLN HG3 H 1 2.373 0.030 . 1 . . . . A 92 GLN HG3 . 36264 1 1109 . 1 . 1 92 92 GLN C C 13 175.767 0.300 . 1 . . . . A 92 GLN C . 36264 1 1110 . 1 . 1 92 92 GLN CA C 13 56.907 0.300 . 1 . . . . A 92 GLN CA . 36264 1 1111 . 1 . 1 92 92 GLN CB C 13 29.263 0.300 . 1 . . . . A 92 GLN CB . 36264 1 1112 . 1 . 1 92 92 GLN CG C 13 33.946 0.300 . 1 . . . . A 92 GLN CG . 36264 1 1113 . 1 . 1 92 92 GLN N N 15 118.746 0.300 . 1 . . . . A 92 GLN N . 36264 1 1114 . 1 . 1 93 93 ASN H H 1 8.268 0.030 . 1 . . . . A 93 ASN H . 36264 1 1115 . 1 . 1 93 93 ASN HA H 1 4.614 0.030 . 1 . . . . A 93 ASN HA . 36264 1 1116 . 1 . 1 93 93 ASN HB2 H 1 2.912 0.030 . 1 . . . . A 93 ASN HB2 . 36264 1 1117 . 1 . 1 93 93 ASN HB3 H 1 2.912 0.030 . 1 . . . . A 93 ASN HB3 . 36264 1 1118 . 1 . 1 93 93 ASN HD21 H 1 6.907 0.030 . 2 . . . . A 93 ASN HD21 . 36264 1 1119 . 1 . 1 93 93 ASN HD22 H 1 7.668 0.030 . 2 . . . . A 93 ASN HD22 . 36264 1 1120 . 1 . 1 93 93 ASN C C 13 174.618 0.300 . 1 . . . . A 93 ASN C . 36264 1 1121 . 1 . 1 93 93 ASN CA C 13 53.672 0.300 . 1 . . . . A 93 ASN CA . 36264 1 1122 . 1 . 1 93 93 ASN CB C 13 38.846 0.300 . 1 . . . . A 93 ASN CB . 36264 1 1123 . 1 . 1 93 93 ASN N N 15 116.669 0.300 . 1 . . . . A 93 ASN N . 36264 1 1124 . 1 . 1 93 93 ASN ND2 N 15 113.284 0.300 . 1 . . . . A 93 ASN ND2 . 36264 1 1125 . 1 . 1 94 94 TYR H H 1 7.986 0.030 . 1 . . . . A 94 TYR H . 36264 1 1126 . 1 . 1 94 94 TYR HA H 1 4.574 0.030 . 1 . . . . A 94 TYR HA . 36264 1 1127 . 1 . 1 94 94 TYR HB2 H 1 3.054 0.030 . 1 . . . . A 94 TYR HB2 . 36264 1 1128 . 1 . 1 94 94 TYR HB3 H 1 3.054 0.030 . 1 . . . . A 94 TYR HB3 . 36264 1 1129 . 1 . 1 94 94 TYR HD1 H 1 7.199 0.030 . 1 . . . . A 94 TYR HD1 . 36264 1 1130 . 1 . 1 94 94 TYR HD2 H 1 7.199 0.030 . 1 . . . . A 94 TYR HD2 . 36264 1 1131 . 1 . 1 94 94 TYR HE1 H 1 6.914 0.030 . 1 . . . . A 94 TYR HE1 . 36264 1 1132 . 1 . 1 94 94 TYR HE2 H 1 6.914 0.030 . 1 . . . . A 94 TYR HE2 . 36264 1 1133 . 1 . 1 94 94 TYR C C 13 175.619 0.300 . 1 . . . . A 94 TYR C . 36264 1 1134 . 1 . 1 94 94 TYR CA C 13 58.023 0.300 . 1 . . . . A 94 TYR CA . 36264 1 1135 . 1 . 1 94 94 TYR CB C 13 38.856 0.300 . 1 . . . . A 94 TYR CB . 36264 1 1136 . 1 . 1 94 94 TYR CD1 C 13 133.413 0.300 . 1 . . . . A 94 TYR CD1 . 36264 1 1137 . 1 . 1 94 94 TYR CD2 C 13 133.413 0.300 . 1 . . . . A 94 TYR CD2 . 36264 1 1138 . 1 . 1 94 94 TYR CE1 C 13 118.693 0.300 . 1 . . . . A 94 TYR CE1 . 36264 1 1139 . 1 . 1 94 94 TYR CE2 C 13 118.693 0.300 . 1 . . . . A 94 TYR CE2 . 36264 1 1140 . 1 . 1 94 94 TYR N N 15 119.318 0.300 . 1 . . . . A 94 TYR N . 36264 1 1141 . 1 . 1 95 95 GLN H H 1 8.069 0.030 . 1 . . . . A 95 GLN H . 36264 1 1142 . 1 . 1 95 95 GLN HA H 1 4.531 0.030 . 1 . . . . A 95 GLN HA . 36264 1 1143 . 1 . 1 95 95 GLN HB2 H 1 1.829 0.030 . 2 . . . . A 95 GLN HB2 . 36264 1 1144 . 1 . 1 95 95 GLN HB3 H 1 1.915 0.030 . 2 . . . . A 95 GLN HB3 . 36264 1 1145 . 1 . 1 95 95 GLN HG2 H 1 2.172 0.030 . 1 . . . . A 95 GLN HG2 . 36264 1 1146 . 1 . 1 95 95 GLN HG3 H 1 2.172 0.030 . 1 . . . . A 95 GLN HG3 . 36264 1 1147 . 1 . 1 95 95 GLN HE21 H 1 6.758 0.030 . 2 . . . . A 95 GLN HE21 . 36264 1 1148 . 1 . 1 95 95 GLN HE22 H 1 7.463 0.030 . 2 . . . . A 95 GLN HE22 . 36264 1 1149 . 1 . 1 95 95 GLN CA C 13 53.531 0.300 . 1 . . . . A 95 GLN CA . 36264 1 1150 . 1 . 1 95 95 GLN CB C 13 28.242 0.300 . 1 . . . . A 95 GLN CB . 36264 1 1151 . 1 . 1 95 95 GLN CG C 13 32.952 0.300 . 1 . . . . A 95 GLN CG . 36264 1 1152 . 1 . 1 95 95 GLN N N 15 120.162 0.300 . 1 . . . . A 95 GLN N . 36264 1 1153 . 1 . 1 95 95 GLN NE2 N 15 111.353 0.300 . 1 . . . . A 95 GLN NE2 . 36264 1 1154 . 1 . 1 96 96 PRO HA H 1 4.384 0.030 . 1 . . . . A 96 PRO HA . 36264 1 1155 . 1 . 1 96 96 PRO HB2 H 1 1.327 0.030 . 1 . . . . A 96 PRO HB2 . 36264 1 1156 . 1 . 1 96 96 PRO HB3 H 1 1.327 0.030 . 1 . . . . A 96 PRO HB3 . 36264 1 1157 . 1 . 1 96 96 PRO HG2 H 1 1.670 0.030 . 1 . . . . A 96 PRO HG2 . 36264 1 1158 . 1 . 1 96 96 PRO HG3 H 1 1.670 0.030 . 1 . . . . A 96 PRO HG3 . 36264 1 1159 . 1 . 1 96 96 PRO HD2 H 1 3.470 0.030 . 2 . . . . A 96 PRO HD2 . 36264 1 1160 . 1 . 1 96 96 PRO HD3 H 1 3.793 0.030 . 2 . . . . A 96 PRO HD3 . 36264 1 1161 . 1 . 1 96 96 PRO C C 13 175.503 0.300 . 1 . . . . A 96 PRO C . 36264 1 1162 . 1 . 1 96 96 PRO CA C 13 62.921 0.300 . 1 . . . . A 96 PRO CA . 36264 1 1163 . 1 . 1 96 96 PRO CB C 13 32.739 0.300 . 1 . . . . A 96 PRO CB . 36264 1 1164 . 1 . 1 96 96 PRO CG C 13 27.166 0.300 . 1 . . . . A 96 PRO CG . 36264 1 1165 . 1 . 1 96 96 PRO CD C 13 50.300 0.300 . 1 . . . . A 96 PRO CD . 36264 1 1166 . 1 . 1 97 97 ASP H H 1 8.297 0.030 . 1 . . . . A 97 ASP H . 36264 1 1167 . 1 . 1 97 97 ASP HA H 1 4.759 0.030 . 1 . . . . A 97 ASP HA . 36264 1 1168 . 1 . 1 97 97 ASP HB2 H 1 2.481 0.030 . 2 . . . . A 97 ASP HB2 . 36264 1 1169 . 1 . 1 97 97 ASP HB3 H 1 2.620 0.030 . 2 . . . . A 97 ASP HB3 . 36264 1 1170 . 1 . 1 97 97 ASP C C 13 176.563 0.300 . 1 . . . . A 97 ASP C . 36264 1 1171 . 1 . 1 97 97 ASP CA C 13 53.325 0.300 . 1 . . . . A 97 ASP CA . 36264 1 1172 . 1 . 1 97 97 ASP CB C 13 42.741 0.300 . 1 . . . . A 97 ASP CB . 36264 1 1173 . 1 . 1 97 97 ASP N N 15 120.864 0.300 . 1 . . . . A 97 ASP N . 36264 1 1174 . 1 . 1 98 98 PHE H H 1 9.050 0.030 . 1 . . . . A 98 PHE H . 36264 1 1175 . 1 . 1 98 98 PHE HA H 1 4.671 0.030 . 1 . . . . A 98 PHE HA . 36264 1 1176 . 1 . 1 98 98 PHE HB2 H 1 2.804 0.030 . 2 . . . . A 98 PHE HB2 . 36264 1 1177 . 1 . 1 98 98 PHE HB3 H 1 3.140 0.030 . 2 . . . . A 98 PHE HB3 . 36264 1 1178 . 1 . 1 98 98 PHE HD1 H 1 7.197 0.030 . 1 . . . . A 98 PHE HD1 . 36264 1 1179 . 1 . 1 98 98 PHE HD2 H 1 7.197 0.030 . 1 . . . . A 98 PHE HD2 . 36264 1 1180 . 1 . 1 98 98 PHE C C 13 175.583 0.300 . 1 . . . . A 98 PHE C . 36264 1 1181 . 1 . 1 98 98 PHE CA C 13 58.401 0.300 . 1 . . . . A 98 PHE CA . 36264 1 1182 . 1 . 1 98 98 PHE CB C 13 39.078 0.300 . 1 . . . . A 98 PHE CB . 36264 1 1183 . 1 . 1 98 98 PHE N N 15 122.640 0.300 . 1 . . . . A 98 PHE N . 36264 1 1184 . 1 . 1 99 99 ILE H H 1 8.938 0.030 . 1 . . . . A 99 ILE H . 36264 1 1185 . 1 . 1 99 99 ILE HA H 1 4.541 0.030 . 1 . . . . A 99 ILE HA . 36264 1 1186 . 1 . 1 99 99 ILE HB H 1 1.916 0.030 . 1 . . . . A 99 ILE HB . 36264 1 1187 . 1 . 1 99 99 ILE HG12 H 1 0.901 0.030 . 2 . . . . A 99 ILE HG12 . 36264 1 1188 . 1 . 1 99 99 ILE HG13 H 1 1.234 0.030 . 2 . . . . A 99 ILE HG13 . 36264 1 1189 . 1 . 1 99 99 ILE HG21 H 1 0.907 0.030 . 1 . . . . A 99 ILE HG21 . 36264 1 1190 . 1 . 1 99 99 ILE HG22 H 1 0.907 0.030 . 1 . . . . A 99 ILE HG22 . 36264 1 1191 . 1 . 1 99 99 ILE HG23 H 1 0.907 0.030 . 1 . . . . A 99 ILE HG23 . 36264 1 1192 . 1 . 1 99 99 ILE HD11 H 1 0.797 0.030 . 1 . . . . A 99 ILE HD11 . 36264 1 1193 . 1 . 1 99 99 ILE HD12 H 1 0.797 0.030 . 1 . . . . A 99 ILE HD12 . 36264 1 1194 . 1 . 1 99 99 ILE HD13 H 1 0.797 0.030 . 1 . . . . A 99 ILE HD13 . 36264 1 1195 . 1 . 1 99 99 ILE C C 13 175.619 0.300 . 1 . . . . A 99 ILE C . 36264 1 1196 . 1 . 1 99 99 ILE CA C 13 60.952 0.300 . 1 . . . . A 99 ILE CA . 36264 1 1197 . 1 . 1 99 99 ILE CB C 13 39.589 0.300 . 1 . . . . A 99 ILE CB . 36264 1 1198 . 1 . 1 99 99 ILE CG1 C 13 26.812 0.300 . 1 . . . . A 99 ILE CG1 . 36264 1 1199 . 1 . 1 99 99 ILE CG2 C 13 17.818 0.300 . 1 . . . . A 99 ILE CG2 . 36264 1 1200 . 1 . 1 99 99 ILE CD1 C 13 13.199 0.300 . 1 . . . . A 99 ILE CD1 . 36264 1 1201 . 1 . 1 99 99 ILE N N 15 117.704 0.300 . 1 . . . . A 99 ILE N . 36264 1 1202 . 1 . 1 100 100 ASN H H 1 7.783 0.030 . 1 . . . . A 100 ASN H . 36264 1 1203 . 1 . 1 100 100 ASN HA H 1 4.944 0.030 . 1 . . . . A 100 ASN HA . 36264 1 1204 . 1 . 1 100 100 ASN HB2 H 1 2.914 0.030 . 2 . . . . A 100 ASN HB2 . 36264 1 1205 . 1 . 1 100 100 ASN HB3 H 1 2.964 0.030 . 2 . . . . A 100 ASN HB3 . 36264 1 1206 . 1 . 1 100 100 ASN HD21 H 1 6.851 0.030 . 2 . . . . A 100 ASN HD21 . 36264 1 1207 . 1 . 1 100 100 ASN HD22 H 1 7.862 0.030 . 2 . . . . A 100 ASN HD22 . 36264 1 1208 . 1 . 1 100 100 ASN C C 13 174.072 0.300 . 1 . . . . A 100 ASN C . 36264 1 1209 . 1 . 1 100 100 ASN CA C 13 53.897 0.300 . 1 . . . . A 100 ASN CA . 36264 1 1210 . 1 . 1 100 100 ASN CB C 13 42.772 0.300 . 1 . . . . A 100 ASN CB . 36264 1 1211 . 1 . 1 100 100 ASN N N 15 117.729 0.300 . 1 . . . . A 100 ASN N . 36264 1 1212 . 1 . 1 100 100 ASN ND2 N 15 111.140 0.300 . 1 . . . . A 100 ASN ND2 . 36264 1 1213 . 1 . 1 101 101 MET H H 1 9.370 0.030 . 1 . . . . A 101 MET H . 36264 1 1214 . 1 . 1 101 101 MET HA H 1 5.511 0.030 . 1 . . . . A 101 MET HA . 36264 1 1215 . 1 . 1 101 101 MET HB2 H 1 2.170 0.030 . 2 . . . . A 101 MET HB2 . 36264 1 1216 . 1 . 1 101 101 MET HB3 H 1 1.803 0.030 . 2 . . . . A 101 MET HB3 . 36264 1 1217 . 1 . 1 101 101 MET HG2 H 1 2.463 0.030 . 1 . . . . A 101 MET HG2 . 36264 1 1218 . 1 . 1 101 101 MET HG3 H 1 2.463 0.030 . 1 . . . . A 101 MET HG3 . 36264 1 1219 . 1 . 1 101 101 MET HE1 H 1 1.661 0.030 . 1 . . . . A 101 MET HE1 . 36264 1 1220 . 1 . 1 101 101 MET HE2 H 1 1.661 0.030 . 1 . . . . A 101 MET HE2 . 36264 1 1221 . 1 . 1 101 101 MET HE3 H 1 1.661 0.030 . 1 . . . . A 101 MET HE3 . 36264 1 1222 . 1 . 1 101 101 MET C C 13 174.096 0.300 . 1 . . . . A 101 MET C . 36264 1 1223 . 1 . 1 101 101 MET CA C 13 56.626 0.300 . 1 . . . . A 101 MET CA . 36264 1 1224 . 1 . 1 101 101 MET CB C 13 35.325 0.300 . 1 . . . . A 101 MET CB . 36264 1 1225 . 1 . 1 101 101 MET CG C 13 31.302 0.300 . 1 . . . . A 101 MET CG . 36264 1 1226 . 1 . 1 101 101 MET CE C 13 17.609 0.300 . 1 . . . . A 101 MET CE . 36264 1 1227 . 1 . 1 101 101 MET N N 15 124.036 0.300 . 1 . . . . A 101 MET N . 36264 1 1228 . 1 . 1 102 102 TYR H H 1 8.954 0.030 . 1 . . . . A 102 TYR H . 36264 1 1229 . 1 . 1 102 102 TYR HA H 1 5.547 0.030 . 1 . . . . A 102 TYR HA . 36264 1 1230 . 1 . 1 102 102 TYR HB2 H 1 2.392 0.030 . 2 . . . . A 102 TYR HB2 . 36264 1 1231 . 1 . 1 102 102 TYR HB3 H 1 2.550 0.030 . 2 . . . . A 102 TYR HB3 . 36264 1 1232 . 1 . 1 102 102 TYR HD1 H 1 6.648 0.030 . 1 . . . . A 102 TYR HD1 . 36264 1 1233 . 1 . 1 102 102 TYR HD2 H 1 6.648 0.030 . 1 . . . . A 102 TYR HD2 . 36264 1 1234 . 1 . 1 102 102 TYR HE1 H 1 6.422 0.030 . 1 . . . . A 102 TYR HE1 . 36264 1 1235 . 1 . 1 102 102 TYR HE2 H 1 6.422 0.030 . 1 . . . . A 102 TYR HE2 . 36264 1 1236 . 1 . 1 102 102 TYR C C 13 172.278 0.300 . 1 . . . . A 102 TYR C . 36264 1 1237 . 1 . 1 102 102 TYR CA C 13 55.263 0.300 . 1 . . . . A 102 TYR CA . 36264 1 1238 . 1 . 1 102 102 TYR CB C 13 40.662 0.300 . 1 . . . . A 102 TYR CB . 36264 1 1239 . 1 . 1 102 102 TYR CD1 C 13 133.418 0.300 . 1 . . . . A 102 TYR CD1 . 36264 1 1240 . 1 . 1 102 102 TYR CD2 C 13 133.418 0.300 . 1 . . . . A 102 TYR CD2 . 36264 1 1241 . 1 . 1 102 102 TYR CE1 C 13 118.258 0.300 . 1 . . . . A 102 TYR CE1 . 36264 1 1242 . 1 . 1 102 102 TYR CE2 C 13 118.258 0.300 . 1 . . . . A 102 TYR CE2 . 36264 1 1243 . 1 . 1 102 102 TYR N N 15 125.313 0.300 . 1 . . . . A 102 TYR N . 36264 1 1244 . 1 . 1 103 103 VAL H H 1 9.134 0.030 . 1 . . . . A 103 VAL H . 36264 1 1245 . 1 . 1 103 103 VAL HA H 1 4.997 0.030 . 1 . . . . A 103 VAL HA . 36264 1 1246 . 1 . 1 103 103 VAL HB H 1 1.977 0.030 . 1 . . . . A 103 VAL HB . 36264 1 1247 . 1 . 1 103 103 VAL HG11 H 1 0.783 0.030 . 2 . . . . A 103 VAL HG11 . 36264 1 1248 . 1 . 1 103 103 VAL HG12 H 1 0.783 0.030 . 2 . . . . A 103 VAL HG12 . 36264 1 1249 . 1 . 1 103 103 VAL HG13 H 1 0.783 0.030 . 2 . . . . A 103 VAL HG13 . 36264 1 1250 . 1 . 1 103 103 VAL HG21 H 1 0.885 0.030 . 2 . . . . A 103 VAL HG21 . 36264 1 1251 . 1 . 1 103 103 VAL HG22 H 1 0.885 0.030 . 2 . . . . A 103 VAL HG22 . 36264 1 1252 . 1 . 1 103 103 VAL HG23 H 1 0.885 0.030 . 2 . . . . A 103 VAL HG23 . 36264 1 1253 . 1 . 1 103 103 VAL C C 13 174.601 0.300 . 1 . . . . A 103 VAL C . 36264 1 1254 . 1 . 1 103 103 VAL CA C 13 60.558 0.300 . 1 . . . . A 103 VAL CA . 36264 1 1255 . 1 . 1 103 103 VAL CB C 13 35.611 0.300 . 1 . . . . A 103 VAL CB . 36264 1 1256 . 1 . 1 103 103 VAL CG1 C 13 21.692 0.300 . 2 . . . . A 103 VAL CG1 . 36264 1 1257 . 1 . 1 103 103 VAL CG2 C 13 22.200 0.300 . 2 . . . . A 103 VAL CG2 . 36264 1 1258 . 1 . 1 103 103 VAL N N 15 117.426 0.300 . 1 . . . . A 103 VAL N . 36264 1 1259 . 1 . 1 104 104 ASP H H 1 9.406 0.030 . 1 . . . . A 104 ASP H . 36264 1 1260 . 1 . 1 104 104 ASP HA H 1 5.346 0.030 . 1 . . . . A 104 ASP HA . 36264 1 1261 . 1 . 1 104 104 ASP HB2 H 1 2.702 0.030 . 1 . . . . A 104 ASP HB2 . 36264 1 1262 . 1 . 1 104 104 ASP HB3 H 1 2.702 0.030 . 1 . . . . A 104 ASP HB3 . 36264 1 1263 . 1 . 1 104 104 ASP C C 13 175.213 0.300 . 1 . . . . A 104 ASP C . 36264 1 1264 . 1 . 1 104 104 ASP CA C 13 53.673 0.300 . 1 . . . . A 104 ASP CA . 36264 1 1265 . 1 . 1 104 104 ASP CB C 13 42.843 0.300 . 1 . . . . A 104 ASP CB . 36264 1 1266 . 1 . 1 104 104 ASP N N 15 129.750 0.300 . 1 . . . . A 104 ASP N . 36264 1 1267 . 1 . 1 105 105 VAL H H 1 9.233 0.030 . 1 . . . . A 105 VAL H . 36264 1 1268 . 1 . 1 105 105 VAL HA H 1 3.695 0.030 . 1 . . . . A 105 VAL HA . 36264 1 1269 . 1 . 1 105 105 VAL HG11 H 1 0.962 0.030 . 1 . . . . A 105 VAL HG11 . 36264 1 1270 . 1 . 1 105 105 VAL HG12 H 1 0.962 0.030 . 1 . . . . A 105 VAL HG12 . 36264 1 1271 . 1 . 1 105 105 VAL HG13 H 1 0.962 0.030 . 1 . . . . A 105 VAL HG13 . 36264 1 1272 . 1 . 1 105 105 VAL CA C 13 59.216 0.300 . 1 . . . . A 105 VAL CA . 36264 1 1273 . 1 . 1 105 105 VAL CB C 13 33.504 0.300 . 1 . . . . A 105 VAL CB . 36264 1 1274 . 1 . 1 105 105 VAL CG1 C 13 20.939 0.300 . 1 . . . . A 105 VAL CG1 . 36264 1 1275 . 1 . 1 105 105 VAL CG2 C 13 20.939 0.300 . 1 . . . . A 105 VAL CG2 . 36264 1 1276 . 1 . 1 105 105 VAL N N 15 129.536 0.300 . 1 . . . . A 105 VAL N . 36264 1 1277 . 1 . 1 106 106 PRO HA H 1 4.386 0.030 . 1 . . . . A 106 PRO HA . 36264 1 1278 . 1 . 1 106 106 PRO HB2 H 1 2.401 0.030 . 2 . . . . A 106 PRO HB2 . 36264 1 1279 . 1 . 1 106 106 PRO HB3 H 1 1.968 0.030 . 2 . . . . A 106 PRO HB3 . 36264 1 1280 . 1 . 1 106 106 PRO HG2 H 1 2.154 0.030 . 2 . . . . A 106 PRO HG2 . 36264 1 1281 . 1 . 1 106 106 PRO HG3 H 1 2.312 0.030 . 2 . . . . A 106 PRO HG3 . 36264 1 1282 . 1 . 1 106 106 PRO HD2 H 1 3.696 0.030 . 2 . . . . A 106 PRO HD2 . 36264 1 1283 . 1 . 1 106 106 PRO HD3 H 1 4.224 0.030 . 2 . . . . A 106 PRO HD3 . 36264 1 1284 . 1 . 1 106 106 PRO C C 13 177.515 0.300 . 1 . . . . A 106 PRO C . 36264 1 1285 . 1 . 1 106 106 PRO CA C 13 64.690 0.300 . 1 . . . . A 106 PRO CA . 36264 1 1286 . 1 . 1 106 106 PRO CB C 13 31.889 0.300 . 1 . . . . A 106 PRO CB . 36264 1 1287 . 1 . 1 106 106 PRO CG C 13 28.100 0.300 . 1 . . . . A 106 PRO CG . 36264 1 1288 . 1 . 1 106 106 PRO CD C 13 52.429 0.300 . 1 . . . . A 106 PRO CD . 36264 1 1289 . 1 . 1 107 107 GLY H H 1 8.894 0.030 . 1 . . . . A 107 GLY H . 36264 1 1290 . 1 . 1 107 107 GLY HA2 H 1 3.705 0.030 . 1 . . . . A 107 GLY HA2 . 36264 1 1291 . 1 . 1 107 107 GLY HA3 H 1 3.705 0.030 . 1 . . . . A 107 GLY HA3 . 36264 1 1292 . 1 . 1 107 107 GLY C C 13 173.912 0.300 . 1 . . . . A 107 GLY C . 36264 1 1293 . 1 . 1 107 107 GLY CA C 13 45.296 0.300 . 1 . . . . A 107 GLY CA . 36264 1 1294 . 1 . 1 107 107 GLY N N 15 113.009 0.300 . 1 . . . . A 107 GLY N . 36264 1 1295 . 1 . 1 108 108 GLU H H 1 8.218 0.030 . 1 . . . . A 108 GLU H . 36264 1 1296 . 1 . 1 108 108 GLU HA H 1 4.957 0.030 . 1 . . . . A 108 GLU HA . 36264 1 1297 . 1 . 1 108 108 GLU HB2 H 1 2.228 0.030 . 2 . . . . A 108 GLU HB2 . 36264 1 1298 . 1 . 1 108 108 GLU HB3 H 1 1.921 0.030 . 2 . . . . A 108 GLU HB3 . 36264 1 1299 . 1 . 1 108 108 GLU C C 13 176.816 0.300 . 1 . . . . A 108 GLU C . 36264 1 1300 . 1 . 1 108 108 GLU CA C 13 53.233 0.300 . 1 . . . . A 108 GLU CA . 36264 1 1301 . 1 . 1 108 108 GLU CB C 13 31.620 0.300 . 1 . . . . A 108 GLU CB . 36264 1 1302 . 1 . 1 108 108 GLU N N 15 118.342 0.300 . 1 . . . . A 108 GLU N . 36264 1 1303 . 1 . 1 109 109 LYS H H 1 8.893 0.030 . 1 . . . . A 109 LYS H . 36264 1 1304 . 1 . 1 109 109 LYS HA H 1 4.315 0.030 . 1 . . . . A 109 LYS HA . 36264 1 1305 . 1 . 1 109 109 LYS HB2 H 1 1.863 0.030 . 2 . . . . A 109 LYS HB2 . 36264 1 1306 . 1 . 1 109 109 LYS HB3 H 1 1.890 0.030 . 2 . . . . A 109 LYS HB3 . 36264 1 1307 . 1 . 1 109 109 LYS C C 13 177.852 0.300 . 1 . . . . A 109 LYS C . 36264 1 1308 . 1 . 1 109 109 LYS CA C 13 56.369 0.300 . 1 . . . . A 109 LYS CA . 36264 1 1309 . 1 . 1 109 109 LYS CB C 13 32.656 0.300 . 1 . . . . A 109 LYS CB . 36264 1 1310 . 1 . 1 109 109 LYS N N 15 122.073 0.300 . 1 . . . . A 109 LYS N . 36264 1 1311 . 1 . 1 110 110 ARG H H 1 8.589 0.030 . 1 . . . . A 110 ARG H . 36264 1 1312 . 1 . 1 110 110 ARG HA H 1 4.184 0.030 . 1 . . . . A 110 ARG HA . 36264 1 1313 . 1 . 1 110 110 ARG HB2 H 1 1.968 0.030 . 2 . . . . A 110 ARG HB2 . 36264 1 1314 . 1 . 1 110 110 ARG HB3 H 1 1.520 0.030 . 2 . . . . A 110 ARG HB3 . 36264 1 1315 . 1 . 1 110 110 ARG C C 13 174.489 0.300 . 1 . . . . A 110 ARG C . 36264 1 1316 . 1 . 1 110 110 ARG CA C 13 58.177 0.300 . 1 . . . . A 110 ARG CA . 36264 1 1317 . 1 . 1 110 110 ARG CB C 13 31.055 0.300 . 1 . . . . A 110 ARG CB . 36264 1 1318 . 1 . 1 110 110 ARG CG C 13 27.143 0.300 . 1 . . . . A 110 ARG CG . 36264 1 1319 . 1 . 1 110 110 ARG CD C 13 44.744 0.300 . 1 . . . . A 110 ARG CD . 36264 1 1320 . 1 . 1 110 110 ARG N N 15 126.531 0.300 . 1 . . . . A 110 ARG N . 36264 1 1321 . 1 . 1 111 111 TYR H H 1 8.428 0.030 . 1 . . . . A 111 TYR H . 36264 1 1322 . 1 . 1 111 111 TYR HA H 1 4.751 0.030 . 1 . . . . A 111 TYR HA . 36264 1 1323 . 1 . 1 111 111 TYR HB2 H 1 2.935 0.030 . 2 . . . . A 111 TYR HB2 . 36264 1 1324 . 1 . 1 111 111 TYR HB3 H 1 2.817 0.030 . 2 . . . . A 111 TYR HB3 . 36264 1 1325 . 1 . 1 111 111 TYR HD1 H 1 6.971 0.030 . 1 . . . . A 111 TYR HD1 . 36264 1 1326 . 1 . 1 111 111 TYR HD2 H 1 6.971 0.030 . 1 . . . . A 111 TYR HD2 . 36264 1 1327 . 1 . 1 111 111 TYR HE1 H 1 6.792 0.030 . 1 . . . . A 111 TYR HE1 . 36264 1 1328 . 1 . 1 111 111 TYR HE2 H 1 6.792 0.030 . 1 . . . . A 111 TYR HE2 . 36264 1 1329 . 1 . 1 111 111 TYR C C 13 175.574 0.300 . 1 . . . . A 111 TYR C . 36264 1 1330 . 1 . 1 111 111 TYR CA C 13 56.861 0.300 . 1 . . . . A 111 TYR CA . 36264 1 1331 . 1 . 1 111 111 TYR CB C 13 40.944 0.300 . 1 . . . . A 111 TYR CB . 36264 1 1332 . 1 . 1 111 111 TYR CD1 C 13 132.782 0.300 . 1 . . . . A 111 TYR CD1 . 36264 1 1333 . 1 . 1 111 111 TYR CD2 C 13 132.782 0.300 . 1 . . . . A 111 TYR CD2 . 36264 1 1334 . 1 . 1 111 111 TYR CE1 C 13 119.107 0.300 . 1 . . . . A 111 TYR CE1 . 36264 1 1335 . 1 . 1 111 111 TYR CE2 C 13 119.107 0.300 . 1 . . . . A 111 TYR CE2 . 36264 1 1336 . 1 . 1 111 111 TYR N N 15 128.451 0.300 . 1 . . . . A 111 TYR N . 36264 1 1337 . 1 . 1 112 112 TYR H H 1 8.762 0.030 . 1 . . . . A 112 TYR H . 36264 1 1338 . 1 . 1 112 112 TYR HA H 1 4.658 0.030 . 1 . . . . A 112 TYR HA . 36264 1 1339 . 1 . 1 112 112 TYR HB2 H 1 2.723 0.030 . 2 . . . . A 112 TYR HB2 . 36264 1 1340 . 1 . 1 112 112 TYR HB3 H 1 2.582 0.030 . 2 . . . . A 112 TYR HB3 . 36264 1 1341 . 1 . 1 112 112 TYR HD1 H 1 7.224 0.030 . 1 . . . . A 112 TYR HD1 . 36264 1 1342 . 1 . 1 112 112 TYR HD2 H 1 7.224 0.030 . 1 . . . . A 112 TYR HD2 . 36264 1 1343 . 1 . 1 112 112 TYR HE1 H 1 6.742 0.030 . 1 . . . . A 112 TYR HE1 . 36264 1 1344 . 1 . 1 112 112 TYR HE2 H 1 6.742 0.030 . 1 . . . . A 112 TYR HE2 . 36264 1 1345 . 1 . 1 112 112 TYR C C 13 174.908 0.300 . 1 . . . . A 112 TYR C . 36264 1 1346 . 1 . 1 112 112 TYR CA C 13 58.539 0.300 . 1 . . . . A 112 TYR CA . 36264 1 1347 . 1 . 1 112 112 TYR CB C 13 38.941 0.300 . 1 . . . . A 112 TYR CB . 36264 1 1348 . 1 . 1 112 112 TYR CD1 C 13 133.691 0.300 . 1 . . . . A 112 TYR CD1 . 36264 1 1349 . 1 . 1 112 112 TYR CD2 C 13 133.691 0.300 . 1 . . . . A 112 TYR CD2 . 36264 1 1350 . 1 . 1 112 112 TYR CE1 C 13 118.215 0.300 . 1 . . . . A 112 TYR CE1 . 36264 1 1351 . 1 . 1 112 112 TYR CE2 C 13 118.215 0.300 . 1 . . . . A 112 TYR CE2 . 36264 1 1352 . 1 . 1 112 112 TYR N N 15 127.405 0.300 . 1 . . . . A 112 TYR N . 36264 1 1353 . 1 . 1 113 113 LEU H H 1 8.507 0.030 . 1 . . . . A 113 LEU H . 36264 1 1354 . 1 . 1 113 113 LEU HA H 1 4.503 0.030 . 1 . . . . A 113 LEU HA . 36264 1 1355 . 1 . 1 113 113 LEU HB2 H 1 1.456 0.030 . 2 . . . . A 113 LEU HB2 . 36264 1 1356 . 1 . 1 113 113 LEU HB3 H 1 1.808 0.030 . 2 . . . . A 113 LEU HB3 . 36264 1 1357 . 1 . 1 113 113 LEU HD11 H 1 1.032 0.030 . 1 . . . . A 113 LEU HD11 . 36264 1 1358 . 1 . 1 113 113 LEU HD12 H 1 1.032 0.030 . 1 . . . . A 113 LEU HD12 . 36264 1 1359 . 1 . 1 113 113 LEU HD13 H 1 1.032 0.030 . 1 . . . . A 113 LEU HD13 . 36264 1 1360 . 1 . 1 113 113 LEU HD21 H 1 1.028 0.030 . 1 . . . . A 113 LEU HD21 . 36264 1 1361 . 1 . 1 113 113 LEU HD22 H 1 1.028 0.030 . 1 . . . . A 113 LEU HD22 . 36264 1 1362 . 1 . 1 113 113 LEU HD23 H 1 1.028 0.030 . 1 . . . . A 113 LEU HD23 . 36264 1 1363 . 1 . 1 113 113 LEU C C 13 176.972 0.300 . 1 . . . . A 113 LEU C . 36264 1 1364 . 1 . 1 113 113 LEU CA C 13 57.750 0.300 . 1 . . . . A 113 LEU CA . 36264 1 1365 . 1 . 1 113 113 LEU CB C 13 43.889 0.300 . 1 . . . . A 113 LEU CB . 36264 1 1366 . 1 . 1 113 113 LEU CD1 C 13 26.363 0.300 . 1 . . . . A 113 LEU CD1 . 36264 1 1367 . 1 . 1 113 113 LEU CD2 C 13 26.363 0.300 . 1 . . . . A 113 LEU CD2 . 36264 1 1368 . 1 . 1 113 113 LEU N N 15 125.275 0.300 . 1 . . . . A 113 LEU N . 36264 1 1369 . 1 . 1 114 114 ILE H H 1 7.997 0.030 . 1 . . . . A 114 ILE H . 36264 1 1370 . 1 . 1 114 114 ILE HA H 1 4.359 0.030 . 1 . . . . A 114 ILE HA . 36264 1 1371 . 1 . 1 114 114 ILE HB H 1 1.644 0.030 . 1 . . . . A 114 ILE HB . 36264 1 1372 . 1 . 1 114 114 ILE HG12 H 1 1.216 0.030 . 2 . . . . A 114 ILE HG12 . 36264 1 1373 . 1 . 1 114 114 ILE HG13 H 1 1.400 0.030 . 2 . . . . A 114 ILE HG13 . 36264 1 1374 . 1 . 1 114 114 ILE HG21 H 1 0.854 0.030 . 1 . . . . A 114 ILE HG21 . 36264 1 1375 . 1 . 1 114 114 ILE HG22 H 1 0.854 0.030 . 1 . . . . A 114 ILE HG22 . 36264 1 1376 . 1 . 1 114 114 ILE HG23 H 1 0.854 0.030 . 1 . . . . A 114 ILE HG23 . 36264 1 1377 . 1 . 1 114 114 ILE HD11 H 1 0.877 0.030 . 1 . . . . A 114 ILE HD11 . 36264 1 1378 . 1 . 1 114 114 ILE HD12 H 1 0.877 0.030 . 1 . . . . A 114 ILE HD12 . 36264 1 1379 . 1 . 1 114 114 ILE HD13 H 1 0.877 0.030 . 1 . . . . A 114 ILE HD13 . 36264 1 1380 . 1 . 1 114 114 ILE C C 13 174.043 0.300 . 1 . . . . A 114 ILE C . 36264 1 1381 . 1 . 1 114 114 ILE CA C 13 60.901 0.300 . 1 . . . . A 114 ILE CA . 36264 1 1382 . 1 . 1 114 114 ILE CB C 13 41.765 0.300 . 1 . . . . A 114 ILE CB . 36264 1 1383 . 1 . 1 114 114 ILE CG1 C 13 27.284 0.300 . 1 . . . . A 114 ILE CG1 . 36264 1 1384 . 1 . 1 114 114 ILE CG2 C 13 16.944 0.300 . 1 . . . . A 114 ILE CG2 . 36264 1 1385 . 1 . 1 114 114 ILE CD1 C 13 14.140 0.300 . 1 . . . . A 114 ILE CD1 . 36264 1 1386 . 1 . 1 114 114 ILE N N 15 118.196 0.300 . 1 . . . . A 114 ILE N . 36264 1 1387 . 1 . 1 115 115 LYS H H 1 8.177 0.030 . 1 . . . . A 115 LYS H . 36264 1 1388 . 1 . 1 115 115 LYS HA H 1 4.440 0.030 . 1 . . . . A 115 LYS HA . 36264 1 1389 . 1 . 1 115 115 LYS HB2 H 1 1.588 0.030 . 2 . . . . A 115 LYS HB2 . 36264 1 1390 . 1 . 1 115 115 LYS HB3 H 1 1.713 0.030 . 2 . . . . A 115 LYS HB3 . 36264 1 1391 . 1 . 1 115 115 LYS HG2 H 1 1.218 0.030 . 1 . . . . A 115 LYS HG2 . 36264 1 1392 . 1 . 1 115 115 LYS HG3 H 1 1.218 0.030 . 1 . . . . A 115 LYS HG3 . 36264 1 1393 . 1 . 1 115 115 LYS HD2 H 1 1.219 0.030 . 1 . . . . A 115 LYS HD2 . 36264 1 1394 . 1 . 1 115 115 LYS HD3 H 1 1.219 0.030 . 1 . . . . A 115 LYS HD3 . 36264 1 1395 . 1 . 1 115 115 LYS HE2 H 1 2.668 0.030 . 1 . . . . A 115 LYS HE2 . 36264 1 1396 . 1 . 1 115 115 LYS HE3 H 1 2.668 0.030 . 1 . . . . A 115 LYS HE3 . 36264 1 1397 . 1 . 1 115 115 LYS CA C 13 57.708 0.300 . 1 . . . . A 115 LYS CA . 36264 1 1398 . 1 . 1 115 115 LYS CB C 13 34.353 0.300 . 1 . . . . A 115 LYS CB . 36264 1 1399 . 1 . 1 115 115 LYS CE C 13 41.998 0.300 . 1 . . . . A 115 LYS CE . 36264 1 1400 . 1 . 1 115 115 LYS N N 15 131.217 0.300 . 1 . . . . A 115 LYS N . 36264 1 stop_ save_