data_30968 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30968 _Entry.Title ; NMR solution structure TnC-TnI chimera ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-22 _Entry.Accession_date 2021-11-22 _Entry.Last_release_date 2021-12-02 _Entry.Original_release_date 2021-12-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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_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 L. Poppe L. . . . 30968 2 J. Hartman J. J. . . 30968 3 A. Romero A. . . . 30968 4 J. Reagan J. D. . . 30968 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'METAL BINDING PROTEIN' . 30968 'calcium sensitizer' . 30968 'cardiac troponin' . 30968 'troponin activator' . 30968 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30968 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 550 30968 '15N chemical shifts' 130 30968 '1H chemical shifts' 897 30968 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 2 . . 2022-06-27 2021-11-22 update BMRB 'update entry citation' 30968 1 . . 2022-03-30 2021-11-22 original author 'original release' 30968 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7SXD 'BMRB Entry Tracking System' 30968 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30968 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35349258 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and Thermodynamic Model for the Activation of Cardiac Troponin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 61 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 741 _Citation.Page_last 748 _Citation.Year 2022 _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 L. Poppe L. . . . 30968 1 2 J. Hartman J. J. . . 30968 1 3 A. Romero A. . . . 30968 1 4 J. Reagan J. D. . . 30968 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30968 _Assembly.ID 1 _Assembly.Name 'Troponin C, slow skeletal and cardiac muscles,Troponin I, cardiac muscle' _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 unit_1 1 $entity_1 A A yes . . . . . . 30968 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30968 _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 ; GDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGCISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRCMKDDSKGAGAGVRISA DAMMQALLGARAKESLDLRA HLKQVKKED ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14222.121 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Cardiac troponin I' common 30968 1 TN-C common 30968 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 30968 1 2 . ASP . 30968 1 3 . ASP . 30968 1 4 . ILE . 30968 1 5 . TYR . 30968 1 6 . LYS . 30968 1 7 . ALA . 30968 1 8 . ALA . 30968 1 9 . VAL . 30968 1 10 . GLU . 30968 1 11 . GLN . 30968 1 12 . LEU . 30968 1 13 . THR . 30968 1 14 . GLU . 30968 1 15 . GLU . 30968 1 16 . GLN . 30968 1 17 . LYS . 30968 1 18 . ASN . 30968 1 19 . GLU . 30968 1 20 . PHE . 30968 1 21 . LYS . 30968 1 22 . ALA . 30968 1 23 . ALA . 30968 1 24 . PHE . 30968 1 25 . ASP . 30968 1 26 . ILE . 30968 1 27 . PHE . 30968 1 28 . VAL . 30968 1 29 . LEU . 30968 1 30 . GLY . 30968 1 31 . ALA . 30968 1 32 . GLU . 30968 1 33 . ASP . 30968 1 34 . GLY . 30968 1 35 . CYS . 30968 1 36 . ILE . 30968 1 37 . SER . 30968 1 38 . THR . 30968 1 39 . LYS . 30968 1 40 . GLU . 30968 1 41 . LEU . 30968 1 42 . GLY . 30968 1 43 . LYS . 30968 1 44 . VAL . 30968 1 45 . MET . 30968 1 46 . ARG . 30968 1 47 . MET . 30968 1 48 . LEU . 30968 1 49 . GLY . 30968 1 50 . GLN . 30968 1 51 . ASN . 30968 1 52 . PRO . 30968 1 53 . THR . 30968 1 54 . PRO . 30968 1 55 . GLU . 30968 1 56 . GLU . 30968 1 57 . LEU . 30968 1 58 . GLN . 30968 1 59 . GLU . 30968 1 60 . MET . 30968 1 61 . ILE . 30968 1 62 . ASP . 30968 1 63 . GLU . 30968 1 64 . VAL . 30968 1 65 . ASP . 30968 1 66 . GLU . 30968 1 67 . ASP . 30968 1 68 . GLY . 30968 1 69 . SER . 30968 1 70 . GLY . 30968 1 71 . THR . 30968 1 72 . VAL . 30968 1 73 . ASP . 30968 1 74 . PHE . 30968 1 75 . ASP . 30968 1 76 . GLU . 30968 1 77 . PHE . 30968 1 78 . LEU . 30968 1 79 . VAL . 30968 1 80 . MET . 30968 1 81 . MET . 30968 1 82 . VAL . 30968 1 83 . ARG . 30968 1 84 . CYS . 30968 1 85 . MET . 30968 1 86 . LYS . 30968 1 87 . ASP . 30968 1 88 . ASP . 30968 1 89 . SER . 30968 1 90 . LYS . 30968 1 91 . GLY . 30968 1 92 . ALA . 30968 1 93 . GLY . 30968 1 94 . ALA . 30968 1 95 . GLY . 30968 1 96 . VAL . 30968 1 97 . ARG . 30968 1 98 . ILE . 30968 1 99 . SER . 30968 1 100 . ALA . 30968 1 101 . ASP . 30968 1 102 . ALA . 30968 1 103 . MET . 30968 1 104 . MET . 30968 1 105 . GLN . 30968 1 106 . ALA . 30968 1 107 . LEU . 30968 1 108 . LEU . 30968 1 109 . GLY . 30968 1 110 . ALA . 30968 1 111 . ARG . 30968 1 112 . ALA . 30968 1 113 . LYS . 30968 1 114 . GLU . 30968 1 115 . SER . 30968 1 116 . LEU . 30968 1 117 . ASP . 30968 1 118 . LEU . 30968 1 119 . ARG . 30968 1 120 . ALA . 30968 1 121 . HIS . 30968 1 122 . LEU . 30968 1 123 . LYS . 30968 1 124 . GLN . 30968 1 125 . VAL . 30968 1 126 . LYS . 30968 1 127 . LYS . 30968 1 128 . GLU . 30968 1 129 . ASP . 30968 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 30968 1 . ASP 2 2 30968 1 . ASP 3 3 30968 1 . ILE 4 4 30968 1 . TYR 5 5 30968 1 . LYS 6 6 30968 1 . ALA 7 7 30968 1 . ALA 8 8 30968 1 . VAL 9 9 30968 1 . GLU 10 10 30968 1 . GLN 11 11 30968 1 . LEU 12 12 30968 1 . THR 13 13 30968 1 . GLU 14 14 30968 1 . GLU 15 15 30968 1 . GLN 16 16 30968 1 . LYS 17 17 30968 1 . ASN 18 18 30968 1 . GLU 19 19 30968 1 . PHE 20 20 30968 1 . LYS 21 21 30968 1 . ALA 22 22 30968 1 . ALA 23 23 30968 1 . PHE 24 24 30968 1 . ASP 25 25 30968 1 . ILE 26 26 30968 1 . PHE 27 27 30968 1 . VAL 28 28 30968 1 . LEU 29 29 30968 1 . GLY 30 30 30968 1 . ALA 31 31 30968 1 . GLU 32 32 30968 1 . ASP 33 33 30968 1 . GLY 34 34 30968 1 . CYS 35 35 30968 1 . ILE 36 36 30968 1 . SER 37 37 30968 1 . THR 38 38 30968 1 . LYS 39 39 30968 1 . GLU 40 40 30968 1 . LEU 41 41 30968 1 . GLY 42 42 30968 1 . LYS 43 43 30968 1 . VAL 44 44 30968 1 . MET 45 45 30968 1 . ARG 46 46 30968 1 . MET 47 47 30968 1 . LEU 48 48 30968 1 . GLY 49 49 30968 1 . GLN 50 50 30968 1 . ASN 51 51 30968 1 . PRO 52 52 30968 1 . THR 53 53 30968 1 . PRO 54 54 30968 1 . GLU 55 55 30968 1 . GLU 56 56 30968 1 . LEU 57 57 30968 1 . GLN 58 58 30968 1 . GLU 59 59 30968 1 . MET 60 60 30968 1 . ILE 61 61 30968 1 . ASP 62 62 30968 1 . GLU 63 63 30968 1 . VAL 64 64 30968 1 . ASP 65 65 30968 1 . GLU 66 66 30968 1 . ASP 67 67 30968 1 . GLY 68 68 30968 1 . SER 69 69 30968 1 . GLY 70 70 30968 1 . THR 71 71 30968 1 . VAL 72 72 30968 1 . ASP 73 73 30968 1 . PHE 74 74 30968 1 . ASP 75 75 30968 1 . GLU 76 76 30968 1 . PHE 77 77 30968 1 . LEU 78 78 30968 1 . VAL 79 79 30968 1 . MET 80 80 30968 1 . MET 81 81 30968 1 . VAL 82 82 30968 1 . ARG 83 83 30968 1 . CYS 84 84 30968 1 . MET 85 85 30968 1 . LYS 86 86 30968 1 . ASP 87 87 30968 1 . ASP 88 88 30968 1 . SER 89 89 30968 1 . LYS 90 90 30968 1 . GLY 91 91 30968 1 . ALA 92 92 30968 1 . GLY 93 93 30968 1 . ALA 94 94 30968 1 . GLY 95 95 30968 1 . VAL 96 96 30968 1 . ARG 97 97 30968 1 . ILE 98 98 30968 1 . SER 99 99 30968 1 . ALA 100 100 30968 1 . ASP 101 101 30968 1 . ALA 102 102 30968 1 . MET 103 103 30968 1 . MET 104 104 30968 1 . GLN 105 105 30968 1 . ALA 106 106 30968 1 . LEU 107 107 30968 1 . LEU 108 108 30968 1 . GLY 109 109 30968 1 . ALA 110 110 30968 1 . ARG 111 111 30968 1 . ALA 112 112 30968 1 . LYS 113 113 30968 1 . GLU 114 114 30968 1 . SER 115 115 30968 1 . LEU 116 116 30968 1 . ASP 117 117 30968 1 . LEU 118 118 30968 1 . ARG 119 119 30968 1 . ALA 120 120 30968 1 . HIS 121 121 30968 1 . LEU 122 122 30968 1 . LYS 123 123 30968 1 . GLN 124 124 30968 1 . VAL 125 125 30968 1 . LYS 126 126 30968 1 . LYS 127 127 30968 1 . GLU 128 128 30968 1 . ASP 129 129 30968 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 30968 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TNNC1, TNNC, TNNI3' . 30968 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 30968 _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(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30968 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30968 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] TnC-TnI chimera, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'TnC-TnI chimera' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30968 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30968 1 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 30968 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 30968 _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 30968 1 pH 7.2 . pH 30968 1 pressure 1 . atm 30968 1 temperature 293 . K 30968 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30968 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30968 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30968 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30968 _Software.ID 2 _Software.Type . _Software.Name AutoAssign _Software.Version 2.3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 30968 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30968 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30968 _Software.ID 3 _Software.Type . _Software.Name XEASY _Software.Version 1.5.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 30968 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30968 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30968 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30968 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30968 4 'structure calculation' . 30968 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 30968 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30968 _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 HD' . 800 . . . 30968 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 30968 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _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 . . . . . . . . . . . . . . . . . 30968 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30968 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30968 1 4 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30968 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30968 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30968 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30968 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30968 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30968 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30968 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 30968 _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 external indirect 0.2514 . . . . . 30968 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . 30968 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.1013 . . . . . 30968 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 30968 _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' . . . 30968 1 2 '2D 1H-13C HSQC' . . . 30968 1 3 '3D CBCA(CO)NH' . . . 30968 1 4 '3D CBCANH' . . . 30968 1 5 '3D HBHA(CO)NH' . . . 30968 1 6 '3D HNCO' . . . 30968 1 7 '3D 1H-15N NOESY' . . . 30968 1 8 '3D 1H-13C NOESY aliphatic' . . . 30968 1 9 '3D 1H-13C NOESY aliphatic' . . . 30968 1 10 '3D 1H-13C NOESY aromatic' . . . 30968 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 1 1 GLY HA2 H 1 3.839 0.000 . . . . . . A 1 GLY HA2 . 30968 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.839 0.000 . . . . . . A 1 GLY HA3 . 30968 1 3 . 1 . 1 1 1 GLY CA C 13 43.408 0.000 . . . . . . A 1 GLY CA . 30968 1 4 . 1 . 1 2 2 ASP H H 1 8.660 0.000 . . . . . . A 2 ASP H . 30968 1 5 . 1 . 1 2 2 ASP HA H 1 4.651 0.000 . . . . . . A 2 ASP HA . 30968 1 6 . 1 . 1 2 2 ASP HB2 H 1 2.695 0.000 . . . . . . A 2 ASP HB2 . 30968 1 7 . 1 . 1 2 2 ASP HB3 H 1 2.606 0.000 . . . . . . A 2 ASP HB3 . 30968 1 8 . 1 . 1 2 2 ASP C C 13 176.051 0.000 . . . . . . A 2 ASP C . 30968 1 9 . 1 . 1 2 2 ASP CA C 13 54.575 0.000 . . . . . . A 2 ASP CA . 30968 1 10 . 1 . 1 2 2 ASP CB C 13 41.255 0.000 . . . . . . A 2 ASP CB . 30968 1 11 . 1 . 1 2 2 ASP N N 15 120.800 0.000 . . . . . . A 2 ASP N . 30968 1 12 . 1 . 1 3 3 ASP H H 1 8.479 0.000 . . . . . . A 3 ASP H . 30968 1 13 . 1 . 1 3 3 ASP HA H 1 4.546 0.000 . . . . . . A 3 ASP HA . 30968 1 14 . 1 . 1 3 3 ASP HB2 H 1 2.721 0.000 . . . . . . A 3 ASP HB2 . 30968 1 15 . 1 . 1 3 3 ASP HB3 H 1 2.643 0.000 . . . . . . A 3 ASP HB3 . 30968 1 16 . 1 . 1 3 3 ASP C C 13 177.372 0.000 . . . . . . A 3 ASP C . 30968 1 17 . 1 . 1 3 3 ASP CA C 13 54.891 0.000 . . . . . . A 3 ASP CA . 30968 1 18 . 1 . 1 3 3 ASP CB C 13 41.082 0.000 . . . . . . A 3 ASP CB . 30968 1 19 . 1 . 1 3 3 ASP N N 15 121.612 0.000 . . . . . . A 3 ASP N . 30968 1 20 . 1 . 1 4 4 ILE H H 1 8.079 0.000 . . . . . . A 4 ILE H . 30968 1 21 . 1 . 1 4 4 ILE HA H 1 3.906 0.000 . . . . . . A 4 ILE HA . 30968 1 22 . 1 . 1 4 4 ILE HB H 1 1.675 0.000 . . . . . . A 4 ILE HB . 30968 1 23 . 1 . 1 4 4 ILE HG12 H 1 0.921 0.000 . . . . . . A 4 ILE HG12 . 30968 1 24 . 1 . 1 4 4 ILE HG13 H 1 0.893 0.000 . . . . . . A 4 ILE HG13 . 30968 1 25 . 1 . 1 4 4 ILE HG21 H 1 0.625 0.000 . . . . . . A 4 ILE HG21 . 30968 1 26 . 1 . 1 4 4 ILE HG22 H 1 0.625 0.000 . . . . . . A 4 ILE HG22 . 30968 1 27 . 1 . 1 4 4 ILE HG23 H 1 0.625 0.000 . . . . . . A 4 ILE HG23 . 30968 1 28 . 1 . 1 4 4 ILE HD11 H 1 0.681 0.000 . . . . . . A 4 ILE HD11 . 30968 1 29 . 1 . 1 4 4 ILE HD12 H 1 0.681 0.000 . . . . . . A 4 ILE HD12 . 30968 1 30 . 1 . 1 4 4 ILE HD13 H 1 0.681 0.000 . . . . . . A 4 ILE HD13 . 30968 1 31 . 1 . 1 4 4 ILE C C 13 177.177 0.000 . . . . . . A 4 ILE C . 30968 1 32 . 1 . 1 4 4 ILE CA C 13 63.245 0.000 . . . . . . A 4 ILE CA . 30968 1 33 . 1 . 1 4 4 ILE CB C 13 37.730 0.000 . . . . . . A 4 ILE CB . 30968 1 34 . 1 . 1 4 4 ILE CG1 C 13 26.675 0.000 . . . . . . A 4 ILE CG1 . 30968 1 35 . 1 . 1 4 4 ILE CG2 C 13 17.148 0.000 . . . . . . A 4 ILE CG2 . 30968 1 36 . 1 . 1 4 4 ILE CD1 C 13 13.228 0.000 . . . . . . A 4 ILE CD1 . 30968 1 37 . 1 . 1 4 4 ILE N N 15 120.029 0.000 . . . . . . A 4 ILE N . 30968 1 38 . 1 . 1 5 5 TYR H H 1 7.857 0.000 . . . . . . A 5 TYR H . 30968 1 39 . 1 . 1 5 5 TYR HA H 1 4.366 0.000 . . . . . . A 5 TYR HA . 30968 1 40 . 1 . 1 5 5 TYR HB2 H 1 3.071 0.000 . . . . . . A 5 TYR HB2 . 30968 1 41 . 1 . 1 5 5 TYR HB3 H 1 2.939 0.000 . . . . . . A 5 TYR HB3 . 30968 1 42 . 1 . 1 5 5 TYR HD1 H 1 7.032 0.000 . . . . . . A 5 TYR HD1 . 30968 1 43 . 1 . 1 5 5 TYR HD2 H 1 7.032 0.000 . . . . . . A 5 TYR HD2 . 30968 1 44 . 1 . 1 5 5 TYR HE1 H 1 6.770 0.000 . . . . . . A 5 TYR HE1 . 30968 1 45 . 1 . 1 5 5 TYR HE2 H 1 6.770 0.000 . . . . . . A 5 TYR HE2 . 30968 1 46 . 1 . 1 5 5 TYR C C 13 176.734 0.000 . . . . . . A 5 TYR C . 30968 1 47 . 1 . 1 5 5 TYR CA C 13 59.522 0.000 . . . . . . A 5 TYR CA . 30968 1 48 . 1 . 1 5 5 TYR CB C 13 37.432 0.000 . . . . . . A 5 TYR CB . 30968 1 49 . 1 . 1 5 5 TYR CD1 C 13 132.720 0.000 . . . . . . A 5 TYR CD1 . 30968 1 50 . 1 . 1 5 5 TYR CD2 C 13 132.720 0.000 . . . . . . A 5 TYR CD2 . 30968 1 51 . 1 . 1 5 5 TYR CE1 C 13 118.340 0.000 . . . . . . A 5 TYR CE1 . 30968 1 52 . 1 . 1 5 5 TYR CE2 C 13 118.340 0.000 . . . . . . A 5 TYR CE2 . 30968 1 53 . 1 . 1 5 5 TYR N N 15 121.635 0.000 . . . . . . A 5 TYR N . 30968 1 54 . 1 . 1 6 6 LYS H H 1 7.916 0.000 . . . . . . A 6 LYS H . 30968 1 55 . 1 . 1 6 6 LYS HA H 1 3.954 0.000 . . . . . . A 6 LYS HA . 30968 1 56 . 1 . 1 6 6 LYS HB2 H 1 1.780 0.000 . . . . . . A 6 LYS HB2 . 30968 1 57 . 1 . 1 6 6 LYS HB3 H 1 1.818 0.000 . . . . . . A 6 LYS HB3 . 30968 1 58 . 1 . 1 6 6 LYS HG2 H 1 1.352 0.000 . . . . . . A 6 LYS HG2 . 30968 1 59 . 1 . 1 6 6 LYS HG3 H 1 1.516 0.000 . . . . . . A 6 LYS HG3 . 30968 1 60 . 1 . 1 6 6 LYS HD2 H 1 1.610 0.000 . . . . . . A 6 LYS HD2 . 30968 1 61 . 1 . 1 6 6 LYS HD3 H 1 1.667 0.000 . . . . . . A 6 LYS HD3 . 30968 1 62 . 1 . 1 6 6 LYS HE2 H 1 2.944 0.000 . . . . . . A 6 LYS HE2 . 30968 1 63 . 1 . 1 6 6 LYS HE3 H 1 3.054 0.000 . . . . . . A 6 LYS HE3 . 30968 1 64 . 1 . 1 6 6 LYS C C 13 178.347 0.000 . . . . . . A 6 LYS C . 30968 1 65 . 1 . 1 6 6 LYS CA C 13 58.908 0.000 . . . . . . A 6 LYS CA . 30968 1 66 . 1 . 1 6 6 LYS CB C 13 32.271 0.000 . . . . . . A 6 LYS CB . 30968 1 67 . 1 . 1 6 6 LYS CG C 13 25.162 0.000 . . . . . . A 6 LYS CG . 30968 1 68 . 1 . 1 6 6 LYS CD C 13 28.780 0.000 . . . . . . A 6 LYS CD . 30968 1 69 . 1 . 1 6 6 LYS CE C 13 42.023 0.000 . . . . . . A 6 LYS CE . 30968 1 70 . 1 . 1 6 6 LYS N N 15 121.319 0.000 . . . . . . A 6 LYS N . 30968 1 71 . 1 . 1 7 7 ALA H H 1 7.964 0.000 . . . . . . A 7 ALA H . 30968 1 72 . 1 . 1 7 7 ALA HA H 1 4.139 0.000 . . . . . . A 7 ALA HA . 30968 1 73 . 1 . 1 7 7 ALA HB1 H 1 1.380 0.000 . . . . . . A 7 ALA HB1 . 30968 1 74 . 1 . 1 7 7 ALA HB2 H 1 1.380 0.000 . . . . . . A 7 ALA HB2 . 30968 1 75 . 1 . 1 7 7 ALA HB3 H 1 1.380 0.000 . . . . . . A 7 ALA HB3 . 30968 1 76 . 1 . 1 7 7 ALA C C 13 179.427 0.000 . . . . . . A 7 ALA C . 30968 1 77 . 1 . 1 7 7 ALA CA C 13 54.186 0.000 . . . . . . A 7 ALA CA . 30968 1 78 . 1 . 1 7 7 ALA CB C 13 17.905 0.000 . . . . . . A 7 ALA CB . 30968 1 79 . 1 . 1 7 7 ALA N N 15 120.967 0.000 . . . . . . A 7 ALA N . 30968 1 80 . 1 . 1 8 8 ALA H H 1 7.627 0.000 . . . . . . A 8 ALA H . 30968 1 81 . 1 . 1 8 8 ALA HA H 1 4.192 0.000 . . . . . . A 8 ALA HA . 30968 1 82 . 1 . 1 8 8 ALA HB1 H 1 1.494 0.000 . . . . . . A 8 ALA HB1 . 30968 1 83 . 1 . 1 8 8 ALA HB2 H 1 1.494 0.000 . . . . . . A 8 ALA HB2 . 30968 1 84 . 1 . 1 8 8 ALA HB3 H 1 1.494 0.000 . . . . . . A 8 ALA HB3 . 30968 1 85 . 1 . 1 8 8 ALA C C 13 180.154 0.000 . . . . . . A 8 ALA C . 30968 1 86 . 1 . 1 8 8 ALA CA C 13 54.245 0.000 . . . . . . A 8 ALA CA . 30968 1 87 . 1 . 1 8 8 ALA CB C 13 18.311 0.000 . . . . . . A 8 ALA CB . 30968 1 88 . 1 . 1 8 8 ALA N N 15 120.682 0.000 . . . . . . A 8 ALA N . 30968 1 89 . 1 . 1 9 9 VAL H H 1 7.985 0.000 . . . . . . A 9 VAL H . 30968 1 90 . 1 . 1 9 9 VAL HA H 1 3.561 0.000 . . . . . . A 9 VAL HA . 30968 1 91 . 1 . 1 9 9 VAL HB H 1 2.166 0.000 . . . . . . A 9 VAL HB . 30968 1 92 . 1 . 1 9 9 VAL HG11 H 1 0.955 0.000 . . . . . . A 9 VAL HG11 . 30968 1 93 . 1 . 1 9 9 VAL HG12 H 1 0.955 0.000 . . . . . . A 9 VAL HG12 . 30968 1 94 . 1 . 1 9 9 VAL HG13 H 1 0.955 0.000 . . . . . . A 9 VAL HG13 . 30968 1 95 . 1 . 1 9 9 VAL HG21 H 1 0.905 0.000 . . . . . . A 9 VAL HG21 . 30968 1 96 . 1 . 1 9 9 VAL HG22 H 1 0.905 0.000 . . . . . . A 9 VAL HG22 . 30968 1 97 . 1 . 1 9 9 VAL HG23 H 1 0.905 0.000 . . . . . . A 9 VAL HG23 . 30968 1 98 . 1 . 1 9 9 VAL C C 13 178.343 0.000 . . . . . . A 9 VAL C . 30968 1 99 . 1 . 1 9 9 VAL CA C 13 65.823 0.000 . . . . . . A 9 VAL CA . 30968 1 100 . 1 . 1 9 9 VAL CB C 13 31.577 0.000 . . . . . . A 9 VAL CB . 30968 1 101 . 1 . 1 9 9 VAL CG1 C 13 22.929 0.000 . . . . . . A 9 VAL CG1 . 30968 1 102 . 1 . 1 9 9 VAL CG2 C 13 21.739 0.000 . . . . . . A 9 VAL CG2 . 30968 1 103 . 1 . 1 9 9 VAL N N 15 119.063 0.000 . . . . . . A 9 VAL N . 30968 1 104 . 1 . 1 10 10 GLU H H 1 7.818 0.000 . . . . . . A 10 GLU H . 30968 1 105 . 1 . 1 10 10 GLU HA H 1 4.110 0.000 . . . . . . A 10 GLU HA . 30968 1 106 . 1 . 1 10 10 GLU HB2 H 1 2.076 0.000 . . . . . . A 10 GLU HB2 . 30968 1 107 . 1 . 1 10 10 GLU HB3 H 1 2.117 0.000 . . . . . . A 10 GLU HB3 . 30968 1 108 . 1 . 1 10 10 GLU HG2 H 1 2.288 0.000 . . . . . . A 10 GLU HG2 . 30968 1 109 . 1 . 1 10 10 GLU HG3 H 1 2.425 0.000 . . . . . . A 10 GLU HG3 . 30968 1 110 . 1 . 1 10 10 GLU C C 13 176.930 0.000 . . . . . . A 10 GLU C . 30968 1 111 . 1 . 1 10 10 GLU CA C 13 57.979 0.000 . . . . . . A 10 GLU CA . 30968 1 112 . 1 . 1 10 10 GLU CB C 13 29.341 0.000 . . . . . . A 10 GLU CB . 30968 1 113 . 1 . 1 10 10 GLU CG C 13 36.465 0.000 . . . . . . A 10 GLU CG . 30968 1 114 . 1 . 1 10 10 GLU N N 15 118.857 0.000 . . . . . . A 10 GLU N . 30968 1 115 . 1 . 1 11 11 GLN H H 1 7.458 0.000 . . . . . . A 11 GLN H . 30968 1 116 . 1 . 1 11 11 GLN HA H 1 4.255 0.000 . . . . . . A 11 GLN HA . 30968 1 117 . 1 . 1 11 11 GLN HB2 H 1 2.040 0.000 . . . . . . A 11 GLN HB2 . 30968 1 118 . 1 . 1 11 11 GLN HB3 H 1 2.284 0.000 . . . . . . A 11 GLN HB3 . 30968 1 119 . 1 . 1 11 11 GLN HG2 H 1 2.481 0.000 . . . . . . A 11 GLN HG2 . 30968 1 120 . 1 . 1 11 11 GLN HG3 H 1 2.438 0.000 . . . . . . A 11 GLN HG3 . 30968 1 121 . 1 . 1 11 11 GLN HE21 H 1 6.820 0.000 . . . . . . A 11 GLN HE21 . 30968 1 122 . 1 . 1 11 11 GLN HE22 H 1 7.510 0.000 . . . . . . A 11 GLN HE22 . 30968 1 123 . 1 . 1 11 11 GLN C C 13 176.670 0.000 . . . . . . A 11 GLN C . 30968 1 124 . 1 . 1 11 11 GLN CA C 13 55.670 0.000 . . . . . . A 11 GLN CA . 30968 1 125 . 1 . 1 11 11 GLN CB C 13 29.218 0.000 . . . . . . A 11 GLN CB . 30968 1 126 . 1 . 1 11 11 GLN CG C 13 34.044 0.000 . . . . . . A 11 GLN CG . 30968 1 127 . 1 . 1 11 11 GLN N N 15 115.491 0.000 . . . . . . A 11 GLN N . 30968 1 128 . 1 . 1 11 11 GLN NE2 N 15 112.500 0.000 . . . . . . A 11 GLN NE2 . 30968 1 129 . 1 . 1 12 12 LEU H H 1 7.417 0.000 . . . . . . A 12 LEU H . 30968 1 130 . 1 . 1 12 12 LEU HA H 1 4.510 0.000 . . . . . . A 12 LEU HA . 30968 1 131 . 1 . 1 12 12 LEU HB2 H 1 1.311 0.000 . . . . . . A 12 LEU HB2 . 30968 1 132 . 1 . 1 12 12 LEU HB3 H 1 1.847 0.000 . . . . . . A 12 LEU HB3 . 30968 1 133 . 1 . 1 12 12 LEU HG H 1 1.942 0.000 . . . . . . A 12 LEU HG . 30968 1 134 . 1 . 1 12 12 LEU HD11 H 1 0.883 0.000 . . . . . . A 12 LEU HD11 . 30968 1 135 . 1 . 1 12 12 LEU HD12 H 1 0.883 0.000 . . . . . . A 12 LEU HD12 . 30968 1 136 . 1 . 1 12 12 LEU HD13 H 1 0.883 0.000 . . . . . . A 12 LEU HD13 . 30968 1 137 . 1 . 1 12 12 LEU HD21 H 1 0.847 0.000 . . . . . . A 12 LEU HD21 . 30968 1 138 . 1 . 1 12 12 LEU HD22 H 1 0.847 0.000 . . . . . . A 12 LEU HD22 . 30968 1 139 . 1 . 1 12 12 LEU HD23 H 1 0.847 0.000 . . . . . . A 12 LEU HD23 . 30968 1 140 . 1 . 1 12 12 LEU C C 13 177.726 0.000 . . . . . . A 12 LEU C . 30968 1 141 . 1 . 1 12 12 LEU CA C 13 54.812 0.000 . . . . . . A 12 LEU CA . 30968 1 142 . 1 . 1 12 12 LEU CB C 13 42.962 0.000 . . . . . . A 12 LEU CB . 30968 1 143 . 1 . 1 12 12 LEU CG C 13 26.443 0.000 . . . . . . A 12 LEU CG . 30968 1 144 . 1 . 1 12 12 LEU CD1 C 13 27.201 0.000 . . . . . . A 12 LEU CD1 . 30968 1 145 . 1 . 1 12 12 LEU CD2 C 13 23.029 0.000 . . . . . . A 12 LEU CD2 . 30968 1 146 . 1 . 1 12 12 LEU N N 15 120.805 0.000 . . . . . . A 12 LEU N . 30968 1 147 . 1 . 1 13 13 THR H H 1 8.873 0.000 . . . . . . A 13 THR H . 30968 1 148 . 1 . 1 13 13 THR HA H 1 4.393 0.000 . . . . . . A 13 THR HA . 30968 1 149 . 1 . 1 13 13 THR HB H 1 4.792 0.000 . . . . . . A 13 THR HB . 30968 1 150 . 1 . 1 13 13 THR HG21 H 1 1.352 0.000 . . . . . . A 13 THR HG21 . 30968 1 151 . 1 . 1 13 13 THR HG22 H 1 1.352 0.000 . . . . . . A 13 THR HG22 . 30968 1 152 . 1 . 1 13 13 THR HG23 H 1 1.352 0.000 . . . . . . A 13 THR HG23 . 30968 1 153 . 1 . 1 13 13 THR C C 13 175.476 0.000 . . . . . . A 13 THR C . 30968 1 154 . 1 . 1 13 13 THR CA C 13 60.591 0.000 . . . . . . A 13 THR CA . 30968 1 155 . 1 . 1 13 13 THR CB C 13 70.963 0.000 . . . . . . A 13 THR CB . 30968 1 156 . 1 . 1 13 13 THR CG2 C 13 21.809 0.000 . . . . . . A 13 THR CG2 . 30968 1 157 . 1 . 1 13 13 THR N N 15 113.994 0.000 . . . . . . A 13 THR N . 30968 1 158 . 1 . 1 14 14 GLU H H 1 8.998 0.000 . . . . . . A 14 GLU H . 30968 1 159 . 1 . 1 14 14 GLU HA H 1 3.906 0.000 . . . . . . A 14 GLU HA . 30968 1 160 . 1 . 1 14 14 GLU HB2 H 1 2.055 0.000 . . . . . . A 14 GLU HB2 . 30968 1 161 . 1 . 1 14 14 GLU HB3 H 1 2.002 0.000 . . . . . . A 14 GLU HB3 . 30968 1 162 . 1 . 1 14 14 GLU HG2 H 1 2.301 0.000 . . . . . . A 14 GLU HG2 . 30968 1 163 . 1 . 1 14 14 GLU HG3 H 1 2.365 0.000 . . . . . . A 14 GLU HG3 . 30968 1 164 . 1 . 1 14 14 GLU C C 13 178.383 0.000 . . . . . . A 14 GLU C . 30968 1 165 . 1 . 1 14 14 GLU CA C 13 59.653 0.000 . . . . . . A 14 GLU CA . 30968 1 166 . 1 . 1 14 14 GLU CB C 13 29.153 0.000 . . . . . . A 14 GLU CB . 30968 1 167 . 1 . 1 14 14 GLU CG C 13 35.962 0.000 . . . . . . A 14 GLU CG . 30968 1 168 . 1 . 1 14 14 GLU N N 15 121.797 0.000 . . . . . . A 14 GLU N . 30968 1 169 . 1 . 1 15 15 GLU H H 1 8.572 0.000 . . . . . . A 15 GLU H . 30968 1 170 . 1 . 1 15 15 GLU HA H 1 4.010 0.000 . . . . . . A 15 GLU HA . 30968 1 171 . 1 . 1 15 15 GLU HB2 H 1 2.023 0.000 . . . . . . A 15 GLU HB2 . 30968 1 172 . 1 . 1 15 15 GLU HB3 H 1 1.912 0.000 . . . . . . A 15 GLU HB3 . 30968 1 173 . 1 . 1 15 15 GLU HG2 H 1 2.361 0.000 . . . . . . A 15 GLU HG2 . 30968 1 174 . 1 . 1 15 15 GLU HG3 H 1 2.271 0.000 . . . . . . A 15 GLU HG3 . 30968 1 175 . 1 . 1 15 15 GLU C C 13 179.455 0.000 . . . . . . A 15 GLU C . 30968 1 176 . 1 . 1 15 15 GLU CA C 13 60.248 0.000 . . . . . . A 15 GLU CA . 30968 1 177 . 1 . 1 15 15 GLU CB C 13 28.873 0.000 . . . . . . A 15 GLU CB . 30968 1 178 . 1 . 1 15 15 GLU CG C 13 36.872 0.000 . . . . . . A 15 GLU CG . 30968 1 179 . 1 . 1 15 15 GLU N N 15 117.780 0.000 . . . . . . A 15 GLU N . 30968 1 180 . 1 . 1 16 16 GLN H H 1 7.799 0.000 . . . . . . A 16 GLN H . 30968 1 181 . 1 . 1 16 16 GLN HA H 1 3.780 0.000 . . . . . . A 16 GLN HA . 30968 1 182 . 1 . 1 16 16 GLN HB2 H 1 1.466 0.000 . . . . . . A 16 GLN HB2 . 30968 1 183 . 1 . 1 16 16 GLN HB3 H 1 1.397 0.000 . . . . . . A 16 GLN HB3 . 30968 1 184 . 1 . 1 16 16 GLN HG2 H 1 2.190 0.000 . . . . . . A 16 GLN HG2 . 30968 1 185 . 1 . 1 16 16 GLN HG3 H 1 2.314 0.000 . . . . . . A 16 GLN HG3 . 30968 1 186 . 1 . 1 16 16 GLN HE21 H 1 6.820 0.000 . . . . . . A 16 GLN HE21 . 30968 1 187 . 1 . 1 16 16 GLN HE22 H 1 7.610 0.000 . . . . . . A 16 GLN HE22 . 30968 1 188 . 1 . 1 16 16 GLN C C 13 178.830 0.000 . . . . . . A 16 GLN C . 30968 1 189 . 1 . 1 16 16 GLN CA C 13 58.703 0.000 . . . . . . A 16 GLN CA . 30968 1 190 . 1 . 1 16 16 GLN CB C 13 29.316 0.000 . . . . . . A 16 GLN CB . 30968 1 191 . 1 . 1 16 16 GLN CG C 13 34.848 0.000 . . . . . . A 16 GLN CG . 30968 1 192 . 1 . 1 16 16 GLN N N 15 119.736 0.000 . . . . . . A 16 GLN N . 30968 1 193 . 1 . 1 16 16 GLN NE2 N 15 111.500 0.000 . . . . . . A 16 GLN NE2 . 30968 1 194 . 1 . 1 17 17 LYS H H 1 8.320 0.000 . . . . . . A 17 LYS H . 30968 1 195 . 1 . 1 17 17 LYS HA H 1 3.759 0.000 . . . . . . A 17 LYS HA . 30968 1 196 . 1 . 1 17 17 LYS HB2 H 1 1.913 0.000 . . . . . . A 17 LYS HB2 . 30968 1 197 . 1 . 1 17 17 LYS HB3 H 1 1.952 0.000 . . . . . . A 17 LYS HB3 . 30968 1 198 . 1 . 1 17 17 LYS HG2 H 1 1.340 0.000 . . . . . . A 17 LYS HG2 . 30968 1 199 . 1 . 1 17 17 LYS HG3 H 1 1.370 0.000 . . . . . . A 17 LYS HG3 . 30968 1 200 . 1 . 1 17 17 LYS HD2 H 1 1.719 0.000 . . . . . . A 17 LYS HD2 . 30968 1 201 . 1 . 1 17 17 LYS HD3 H 1 1.632 0.000 . . . . . . A 17 LYS HD3 . 30968 1 202 . 1 . 1 17 17 LYS HE2 H 1 2.931 0.000 . . . . . . A 17 LYS HE2 . 30968 1 203 . 1 . 1 17 17 LYS HE3 H 1 2.963 0.000 . . . . . . A 17 LYS HE3 . 30968 1 204 . 1 . 1 17 17 LYS C C 13 178.757 0.000 . . . . . . A 17 LYS C . 30968 1 205 . 1 . 1 17 17 LYS CA C 13 61.558 0.000 . . . . . . A 17 LYS CA . 30968 1 206 . 1 . 1 17 17 LYS CB C 13 31.724 0.000 . . . . . . A 17 LYS CB . 30968 1 207 . 1 . 1 17 17 LYS CG C 13 27.113 0.000 . . . . . . A 17 LYS CG . 30968 1 208 . 1 . 1 17 17 LYS CD C 13 29.374 0.000 . . . . . . A 17 LYS CD . 30968 1 209 . 1 . 1 17 17 LYS CE C 13 41.762 0.000 . . . . . . A 17 LYS CE . 30968 1 210 . 1 . 1 17 17 LYS N N 15 117.867 0.000 . . . . . . A 17 LYS N . 30968 1 211 . 1 . 1 18 18 ASN H H 1 8.442 0.000 . . . . . . A 18 ASN H . 30968 1 212 . 1 . 1 18 18 ASN HA H 1 4.484 0.000 . . . . . . A 18 ASN HA . 30968 1 213 . 1 . 1 18 18 ASN HB2 H 1 2.779 0.000 . . . . . . A 18 ASN HB2 . 30968 1 214 . 1 . 1 18 18 ASN HB3 H 1 2.939 0.000 . . . . . . A 18 ASN HB3 . 30968 1 215 . 1 . 1 18 18 ASN HD21 H 1 7.620 0.000 . . . . . . A 18 ASN HD21 . 30968 1 216 . 1 . 1 18 18 ASN HD22 H 1 7.000 0.000 . . . . . . A 18 ASN HD22 . 30968 1 217 . 1 . 1 18 18 ASN C C 13 178.408 0.000 . . . . . . A 18 ASN C . 30968 1 218 . 1 . 1 18 18 ASN CA C 13 55.874 0.000 . . . . . . A 18 ASN CA . 30968 1 219 . 1 . 1 18 18 ASN CB C 13 37.706 0.000 . . . . . . A 18 ASN CB . 30968 1 220 . 1 . 1 18 18 ASN N N 15 117.334 0.000 . . . . . . A 18 ASN N . 30968 1 221 . 1 . 1 18 18 ASN ND2 N 15 112.183 0.000 . . . . . . A 18 ASN ND2 . 30968 1 222 . 1 . 1 19 19 GLU H H 1 8.024 0.000 . . . . . . A 19 GLU H . 30968 1 223 . 1 . 1 19 19 GLU HA H 1 4.154 0.000 . . . . . . A 19 GLU HA . 30968 1 224 . 1 . 1 19 19 GLU HB2 H 1 2.040 0.000 . . . . . . A 19 GLU HB2 . 30968 1 225 . 1 . 1 19 19 GLU HB3 H 1 2.040 0.000 . . . . . . A 19 GLU HB3 . 30968 1 226 . 1 . 1 19 19 GLU HG2 H 1 2.231 0.000 . . . . . . A 19 GLU HG2 . 30968 1 227 . 1 . 1 19 19 GLU HG3 H 1 2.353 0.000 . . . . . . A 19 GLU HG3 . 30968 1 228 . 1 . 1 19 19 GLU CA C 13 59.337 0.000 . . . . . . A 19 GLU CA . 30968 1 229 . 1 . 1 19 19 GLU CB C 13 29.044 0.000 . . . . . . A 19 GLU CB . 30968 1 230 . 1 . 1 19 19 GLU CG C 13 36.099 0.000 . . . . . . A 19 GLU CG . 30968 1 231 . 1 . 1 19 19 GLU N N 15 123.517 0.000 . . . . . . A 19 GLU N . 30968 1 232 . 1 . 1 20 20 PHE H H 1 8.664 0.000 . . . . . . A 20 PHE H . 30968 1 233 . 1 . 1 20 20 PHE HA H 1 4.903 0.000 . . . . . . A 20 PHE HA . 30968 1 234 . 1 . 1 20 20 PHE HB2 H 1 3.451 0.000 . . . . . . A 20 PHE HB2 . 30968 1 235 . 1 . 1 20 20 PHE HB3 H 1 3.625 0.000 . . . . . . A 20 PHE HB3 . 30968 1 236 . 1 . 1 20 20 PHE HD1 H 1 7.150 0.050 . . . . . . A 20 PHE HD1 . 30968 1 237 . 1 . 1 20 20 PHE HD2 H 1 7.150 0.050 . . . . . . A 20 PHE HD2 . 30968 1 238 . 1 . 1 20 20 PHE HE1 H 1 7.240 0.100 . . . . . . A 20 PHE HE1 . 30968 1 239 . 1 . 1 20 20 PHE HE2 H 1 7.240 0.100 . . . . . . A 20 PHE HE2 . 30968 1 240 . 1 . 1 20 20 PHE HZ H 1 7.200 0.050 . . . . . . A 20 PHE HZ . 30968 1 241 . 1 . 1 20 20 PHE C C 13 178.148 0.000 . . . . . . A 20 PHE C . 30968 1 242 . 1 . 1 20 20 PHE CA C 13 58.540 0.000 . . . . . . A 20 PHE CA . 30968 1 243 . 1 . 1 20 20 PHE CB C 13 37.100 0.000 . . . . . . A 20 PHE CB . 30968 1 244 . 1 . 1 20 20 PHE CD1 C 13 130.500 0.500 . . . . . . A 20 PHE CD1 . 30968 1 245 . 1 . 1 20 20 PHE CD2 C 13 130.500 0.500 . . . . . . A 20 PHE CD2 . 30968 1 246 . 1 . 1 20 20 PHE CE1 C 13 129.600 0.500 . . . . . . A 20 PHE CE1 . 30968 1 247 . 1 . 1 20 20 PHE CE2 C 13 129.600 0.500 . . . . . . A 20 PHE CE2 . 30968 1 248 . 1 . 1 20 20 PHE CZ C 13 129.600 0.000 . . . . . . A 20 PHE CZ . 30968 1 249 . 1 . 1 20 20 PHE N N 15 119.300 0.000 . . . . . . A 20 PHE N . 30968 1 250 . 1 . 1 21 21 LYS H H 1 8.775 0.000 . . . . . . A 21 LYS H . 30968 1 251 . 1 . 1 21 21 LYS HA H 1 3.786 0.000 . . . . . . A 21 LYS HA . 30968 1 252 . 1 . 1 21 21 LYS HB2 H 1 1.620 0.000 . . . . . . A 21 LYS HB2 . 30968 1 253 . 1 . 1 21 21 LYS HB3 H 1 1.875 0.000 . . . . . . A 21 LYS HB3 . 30968 1 254 . 1 . 1 21 21 LYS HG2 H 1 1.182 0.000 . . . . . . A 21 LYS HG2 . 30968 1 255 . 1 . 1 21 21 LYS HG3 H 1 0.882 0.000 . . . . . . A 21 LYS HG3 . 30968 1 256 . 1 . 1 21 21 LYS HD2 H 1 1.288 0.000 . . . . . . A 21 LYS HD2 . 30968 1 257 . 1 . 1 21 21 LYS HD3 H 1 0.440 0.000 . . . . . . A 21 LYS HD3 . 30968 1 258 . 1 . 1 21 21 LYS HE2 H 1 2.674 0.000 . . . . . . A 21 LYS HE2 . 30968 1 259 . 1 . 1 21 21 LYS HE3 H 1 2.660 0.000 . . . . . . A 21 LYS HE3 . 30968 1 260 . 1 . 1 21 21 LYS C C 13 176.792 0.000 . . . . . . A 21 LYS C . 30968 1 261 . 1 . 1 21 21 LYS CA C 13 58.559 0.000 . . . . . . A 21 LYS CA . 30968 1 262 . 1 . 1 21 21 LYS CB C 13 32.035 0.000 . . . . . . A 21 LYS CB . 30968 1 263 . 1 . 1 21 21 LYS CG C 13 24.251 0.000 . . . . . . A 21 LYS CG . 30968 1 264 . 1 . 1 21 21 LYS CD C 13 27.375 0.000 . . . . . . A 21 LYS CD . 30968 1 265 . 1 . 1 21 21 LYS CE C 13 42.149 0.000 . . . . . . A 21 LYS CE . 30968 1 266 . 1 . 1 21 21 LYS N N 15 121.384 0.000 . . . . . . A 21 LYS N . 30968 1 267 . 1 . 1 22 22 ALA H H 1 7.793 0.000 . . . . . . A 22 ALA H . 30968 1 268 . 1 . 1 22 22 ALA HA H 1 4.165 0.000 . . . . . . A 22 ALA HA . 30968 1 269 . 1 . 1 22 22 ALA HB1 H 1 1.518 0.000 . . . . . . A 22 ALA HB1 . 30968 1 270 . 1 . 1 22 22 ALA HB2 H 1 1.518 0.000 . . . . . . A 22 ALA HB2 . 30968 1 271 . 1 . 1 22 22 ALA HB3 H 1 1.518 0.000 . . . . . . A 22 ALA HB3 . 30968 1 272 . 1 . 1 22 22 ALA C C 13 180.129 0.000 . . . . . . A 22 ALA C . 30968 1 273 . 1 . 1 22 22 ALA CA C 13 54.633 0.000 . . . . . . A 22 ALA CA . 30968 1 274 . 1 . 1 22 22 ALA CB C 13 17.651 0.000 . . . . . . A 22 ALA CB . 30968 1 275 . 1 . 1 22 22 ALA N N 15 120.108 0.000 . . . . . . A 22 ALA N . 30968 1 276 . 1 . 1 23 23 ALA H H 1 7.436 0.000 . . . . . . A 23 ALA H . 30968 1 277 . 1 . 1 23 23 ALA HA H 1 4.255 0.000 . . . . . . A 23 ALA HA . 30968 1 278 . 1 . 1 23 23 ALA HB1 H 1 1.699 0.000 . . . . . . A 23 ALA HB1 . 30968 1 279 . 1 . 1 23 23 ALA HB2 H 1 1.699 0.000 . . . . . . A 23 ALA HB2 . 30968 1 280 . 1 . 1 23 23 ALA HB3 H 1 1.699 0.000 . . . . . . A 23 ALA HB3 . 30968 1 281 . 1 . 1 23 23 ALA C C 13 177.708 0.000 . . . . . . A 23 ALA C . 30968 1 282 . 1 . 1 23 23 ALA CA C 13 54.707 0.000 . . . . . . A 23 ALA CA . 30968 1 283 . 1 . 1 23 23 ALA CB C 13 18.892 0.000 . . . . . . A 23 ALA CB . 30968 1 284 . 1 . 1 23 23 ALA N N 15 118.761 0.000 . . . . . . A 23 ALA N . 30968 1 285 . 1 . 1 24 24 PHE H H 1 8.323 0.000 . . . . . . A 24 PHE H . 30968 1 286 . 1 . 1 24 24 PHE HA H 1 3.646 0.000 . . . . . . A 24 PHE HA . 30968 1 287 . 1 . 1 24 24 PHE HB2 H 1 2.810 0.000 . . . . . . A 24 PHE HB2 . 30968 1 288 . 1 . 1 24 24 PHE HB3 H 1 3.252 0.000 . . . . . . A 24 PHE HB3 . 30968 1 289 . 1 . 1 24 24 PHE HD1 H 1 7.100 0.000 . . . . . . A 24 PHE HD1 . 30968 1 290 . 1 . 1 24 24 PHE HD2 H 1 7.100 0.000 . . . . . . A 24 PHE HD2 . 30968 1 291 . 1 . 1 24 24 PHE HE1 H 1 6.950 0.000 . . . . . . A 24 PHE HE1 . 30968 1 292 . 1 . 1 24 24 PHE HE2 H 1 6.950 0.000 . . . . . . A 24 PHE HE2 . 30968 1 293 . 1 . 1 24 24 PHE HZ H 1 7.000 0.100 . . . . . . A 24 PHE HZ . 30968 1 294 . 1 . 1 24 24 PHE C C 13 176.745 0.000 . . . . . . A 24 PHE C . 30968 1 295 . 1 . 1 24 24 PHE CA C 13 62.242 0.000 . . . . . . A 24 PHE CA . 30968 1 296 . 1 . 1 24 24 PHE CB C 13 40.489 0.000 . . . . . . A 24 PHE CB . 30968 1 297 . 1 . 1 24 24 PHE CD1 C 13 130.200 0.000 . . . . . . A 24 PHE CD1 . 30968 1 298 . 1 . 1 24 24 PHE CD2 C 13 130.200 0.000 . . . . . . A 24 PHE CD2 . 30968 1 299 . 1 . 1 24 24 PHE CE1 C 13 130.200 0.000 . . . . . . A 24 PHE CE1 . 30968 1 300 . 1 . 1 24 24 PHE CE2 C 13 130.200 0.000 . . . . . . A 24 PHE CE2 . 30968 1 301 . 1 . 1 24 24 PHE CZ C 13 130.000 0.000 . . . . . . A 24 PHE CZ . 30968 1 302 . 1 . 1 24 24 PHE N N 15 119.326 0.000 . . . . . . A 24 PHE N . 30968 1 303 . 1 . 1 25 25 ASP H H 1 8.766 0.000 . . . . . . A 25 ASP H . 30968 1 304 . 1 . 1 25 25 ASP HA H 1 4.402 0.000 . . . . . . A 25 ASP HA . 30968 1 305 . 1 . 1 25 25 ASP HB2 H 1 2.707 0.000 . . . . . . A 25 ASP HB2 . 30968 1 306 . 1 . 1 25 25 ASP HB3 H 1 2.517 0.000 . . . . . . A 25 ASP HB3 . 30968 1 307 . 1 . 1 25 25 ASP C C 13 179.048 0.000 . . . . . . A 25 ASP C . 30968 1 308 . 1 . 1 25 25 ASP CA C 13 56.573 0.000 . . . . . . A 25 ASP CA . 30968 1 309 . 1 . 1 25 25 ASP CB C 13 40.138 0.000 . . . . . . A 25 ASP CB . 30968 1 310 . 1 . 1 25 25 ASP N N 15 115.634 0.000 . . . . . . A 25 ASP N . 30968 1 311 . 1 . 1 26 26 ILE H H 1 7.329 0.000 . . . . . . A 26 ILE H . 30968 1 312 . 1 . 1 26 26 ILE HA H 1 3.623 0.000 . . . . . . A 26 ILE HA . 30968 1 313 . 1 . 1 26 26 ILE HB H 1 1.868 0.000 . . . . . . A 26 ILE HB . 30968 1 314 . 1 . 1 26 26 ILE HG12 H 1 1.661 0.000 . . . . . . A 26 ILE HG12 . 30968 1 315 . 1 . 1 26 26 ILE HG13 H 1 1.149 0.000 . . . . . . A 26 ILE HG13 . 30968 1 316 . 1 . 1 26 26 ILE HG21 H 1 0.343 0.000 . . . . . . A 26 ILE HG21 . 30968 1 317 . 1 . 1 26 26 ILE HG22 H 1 0.343 0.000 . . . . . . A 26 ILE HG22 . 30968 1 318 . 1 . 1 26 26 ILE HG23 H 1 0.343 0.000 . . . . . . A 26 ILE HG23 . 30968 1 319 . 1 . 1 26 26 ILE HD11 H 1 0.822 0.000 . . . . . . A 26 ILE HD11 . 30968 1 320 . 1 . 1 26 26 ILE HD12 H 1 0.822 0.000 . . . . . . A 26 ILE HD12 . 30968 1 321 . 1 . 1 26 26 ILE HD13 H 1 0.822 0.000 . . . . . . A 26 ILE HD13 . 30968 1 322 . 1 . 1 26 26 ILE CA C 13 63.792 0.000 . . . . . . A 26 ILE CA . 30968 1 323 . 1 . 1 26 26 ILE CB C 13 37.234 0.000 . . . . . . A 26 ILE CB . 30968 1 324 . 1 . 1 26 26 ILE CG1 C 13 28.549 0.000 . . . . . . A 26 ILE CG1 . 30968 1 325 . 1 . 1 26 26 ILE CG2 C 13 16.830 0.000 . . . . . . A 26 ILE CG2 . 30968 1 326 . 1 . 1 26 26 ILE CD1 C 13 13.233 0.000 . . . . . . A 26 ILE CD1 . 30968 1 327 . 1 . 1 26 26 ILE N N 15 119.302 0.000 . . . . . . A 26 ILE N . 30968 1 328 . 1 . 1 27 27 PHE HA H 1 4.250 0.000 . . . . . . A 27 PHE HA . 30968 1 329 . 1 . 1 27 27 PHE HB2 H 1 3.107 0.000 . . . . . . A 27 PHE HB2 . 30968 1 330 . 1 . 1 27 27 PHE HB3 H 1 3.085 0.000 . . . . . . A 27 PHE HB3 . 30968 1 331 . 1 . 1 27 27 PHE HD1 H 1 7.250 0.000 . . . . . . A 27 PHE HD1 . 30968 1 332 . 1 . 1 27 27 PHE HD2 H 1 7.250 0.000 . . . . . . A 27 PHE HD2 . 30968 1 333 . 1 . 1 27 27 PHE HE1 H 1 7.150 0.000 . . . . . . A 27 PHE HE1 . 30968 1 334 . 1 . 1 27 27 PHE HE2 H 1 7.150 0.000 . . . . . . A 27 PHE HE2 . 30968 1 335 . 1 . 1 27 27 PHE HZ H 1 7.200 0.100 . . . . . . A 27 PHE HZ . 30968 1 336 . 1 . 1 27 27 PHE CA C 13 58.983 0.000 . . . . . . A 27 PHE CA . 30968 1 337 . 1 . 1 27 27 PHE CB C 13 39.386 0.000 . . . . . . A 27 PHE CB . 30968 1 338 . 1 . 1 27 27 PHE CD1 C 13 132.300 0.000 . . . . . . A 27 PHE CD1 . 30968 1 339 . 1 . 1 27 27 PHE CD2 C 13 132.300 0.000 . . . . . . A 27 PHE CD2 . 30968 1 340 . 1 . 1 27 27 PHE CE1 C 13 131.070 0.000 . . . . . . A 27 PHE CE1 . 30968 1 341 . 1 . 1 27 27 PHE CE2 C 13 131.070 0.000 . . . . . . A 27 PHE CE2 . 30968 1 342 . 1 . 1 27 27 PHE CZ C 13 129.000 0.000 . . . . . . A 27 PHE CZ . 30968 1 343 . 1 . 1 28 28 VAL HA H 1 3.860 0.000 . . . . . . A 28 VAL HA . 30968 1 344 . 1 . 1 28 28 VAL HB H 1 1.971 0.000 . . . . . . A 28 VAL HB . 30968 1 345 . 1 . 1 28 28 VAL HG11 H 1 0.755 0.000 . . . . . . A 28 VAL HG11 . 30968 1 346 . 1 . 1 28 28 VAL HG12 H 1 0.755 0.000 . . . . . . A 28 VAL HG12 . 30968 1 347 . 1 . 1 28 28 VAL HG13 H 1 0.755 0.000 . . . . . . A 28 VAL HG13 . 30968 1 348 . 1 . 1 28 28 VAL HG21 H 1 0.706 0.000 . . . . . . A 28 VAL HG21 . 30968 1 349 . 1 . 1 28 28 VAL HG22 H 1 0.706 0.000 . . . . . . A 28 VAL HG22 . 30968 1 350 . 1 . 1 28 28 VAL HG23 H 1 0.706 0.000 . . . . . . A 28 VAL HG23 . 30968 1 351 . 1 . 1 28 28 VAL C C 13 176.745 0.000 . . . . . . A 28 VAL C . 30968 1 352 . 1 . 1 28 28 VAL CA C 13 62.903 0.000 . . . . . . A 28 VAL CA . 30968 1 353 . 1 . 1 28 28 VAL CB C 13 31.946 0.000 . . . . . . A 28 VAL CB . 30968 1 354 . 1 . 1 28 28 VAL CG1 C 13 21.732 0.000 . . . . . . A 28 VAL CG1 . 30968 1 355 . 1 . 1 28 28 VAL CG2 C 13 21.742 0.000 . . . . . . A 28 VAL CG2 . 30968 1 356 . 1 . 1 29 29 LEU H H 1 7.932 0.000 . . . . . . A 29 LEU H . 30968 1 357 . 1 . 1 29 29 LEU HA H 1 4.123 0.000 . . . . . . A 29 LEU HA . 30968 1 358 . 1 . 1 29 29 LEU HB2 H 1 1.558 0.000 . . . . . . A 29 LEU HB2 . 30968 1 359 . 1 . 1 29 29 LEU HB3 H 1 1.725 0.000 . . . . . . A 29 LEU HB3 . 30968 1 360 . 1 . 1 29 29 LEU HG H 1 1.459 0.000 . . . . . . A 29 LEU HG . 30968 1 361 . 1 . 1 29 29 LEU HD11 H 1 0.886 0.000 . . . . . . A 29 LEU HD11 . 30968 1 362 . 1 . 1 29 29 LEU HD12 H 1 0.886 0.000 . . . . . . A 29 LEU HD12 . 30968 1 363 . 1 . 1 29 29 LEU HD13 H 1 0.886 0.000 . . . . . . A 29 LEU HD13 . 30968 1 364 . 1 . 1 29 29 LEU HD21 H 1 0.860 0.000 . . . . . . A 29 LEU HD21 . 30968 1 365 . 1 . 1 29 29 LEU HD22 H 1 0.860 0.000 . . . . . . A 29 LEU HD22 . 30968 1 366 . 1 . 1 29 29 LEU HD23 H 1 0.860 0.000 . . . . . . A 29 LEU HD23 . 30968 1 367 . 1 . 1 29 29 LEU C C 13 177.944 0.000 . . . . . . A 29 LEU C . 30968 1 368 . 1 . 1 29 29 LEU CA C 13 55.948 0.000 . . . . . . A 29 LEU CA . 30968 1 369 . 1 . 1 29 29 LEU CB C 13 41.456 0.000 . . . . . . A 29 LEU CB . 30968 1 370 . 1 . 1 29 29 LEU CG C 13 26.660 0.000 . . . . . . A 29 LEU CG . 30968 1 371 . 1 . 1 29 29 LEU CD1 C 13 24.890 0.000 . . . . . . A 29 LEU CD1 . 30968 1 372 . 1 . 1 29 29 LEU CD2 C 13 23.447 0.000 . . . . . . A 29 LEU CD2 . 30968 1 373 . 1 . 1 29 29 LEU N N 15 124.165 0.000 . . . . . . A 29 LEU N . 30968 1 374 . 1 . 1 30 30 GLY H H 1 8.346 0.000 . . . . . . A 30 GLY H . 30968 1 375 . 1 . 1 30 30 GLY HA2 H 1 3.950 0.000 . . . . . . A 30 GLY HA2 . 30968 1 376 . 1 . 1 30 30 GLY HA3 H 1 3.873 0.000 . . . . . . A 30 GLY HA3 . 30968 1 377 . 1 . 1 30 30 GLY C C 13 174.829 0.000 . . . . . . A 30 GLY C . 30968 1 378 . 1 . 1 30 30 GLY CA C 13 45.547 0.000 . . . . . . A 30 GLY CA . 30968 1 379 . 1 . 1 30 30 GLY N N 15 108.946 0.000 . . . . . . A 30 GLY N . 30968 1 380 . 1 . 1 31 31 ALA H H 1 8.056 0.000 . . . . . . A 31 ALA H . 30968 1 381 . 1 . 1 31 31 ALA HA H 1 4.239 0.000 . . . . . . A 31 ALA HA . 30968 1 382 . 1 . 1 31 31 ALA HB1 H 1 1.455 0.000 . . . . . . A 31 ALA HB1 . 30968 1 383 . 1 . 1 31 31 ALA HB2 H 1 1.455 0.000 . . . . . . A 31 ALA HB2 . 30968 1 384 . 1 . 1 31 31 ALA HB3 H 1 1.455 0.000 . . . . . . A 31 ALA HB3 . 30968 1 385 . 1 . 1 31 31 ALA CA C 13 53.115 0.000 . . . . . . A 31 ALA CA . 30968 1 386 . 1 . 1 31 31 ALA CB C 13 18.622 0.000 . . . . . . A 31 ALA CB . 30968 1 387 . 1 . 1 31 31 ALA N N 15 124.063 0.000 . . . . . . A 31 ALA N . 30968 1 388 . 1 . 1 32 32 GLU HA H 1 4.179 0.000 . . . . . . A 32 GLU HA . 30968 1 389 . 1 . 1 32 32 GLU HB2 H 1 1.980 0.000 . . . . . . A 32 GLU HB2 . 30968 1 390 . 1 . 1 32 32 GLU HB3 H 1 2.074 0.000 . . . . . . A 32 GLU HB3 . 30968 1 391 . 1 . 1 32 32 GLU HG2 H 1 2.277 0.000 . . . . . . A 32 GLU HG2 . 30968 1 392 . 1 . 1 32 32 GLU HG3 H 1 2.345 0.000 . . . . . . A 32 GLU HG3 . 30968 1 393 . 1 . 1 32 32 GLU C C 13 176.556 0.000 . . . . . . A 32 GLU C . 30968 1 394 . 1 . 1 32 32 GLU CA C 13 57.686 0.000 . . . . . . A 32 GLU CA . 30968 1 395 . 1 . 1 32 32 GLU CB C 13 29.639 0.000 . . . . . . A 32 GLU CB . 30968 1 396 . 1 . 1 32 32 GLU CG C 13 36.005 0.000 . . . . . . A 32 GLU CG . 30968 1 397 . 1 . 1 33 33 ASP H H 1 8.126 0.000 . . . . . . A 33 ASP H . 30968 1 398 . 1 . 1 33 33 ASP HA H 1 4.577 0.000 . . . . . . A 33 ASP HA . 30968 1 399 . 1 . 1 33 33 ASP HB2 H 1 2.859 0.000 . . . . . . A 33 ASP HB2 . 30968 1 400 . 1 . 1 33 33 ASP HB3 H 1 2.700 0.000 . . . . . . A 33 ASP HB3 . 30968 1 401 . 1 . 1 33 33 ASP C C 13 177.425 0.000 . . . . . . A 33 ASP C . 30968 1 402 . 1 . 1 33 33 ASP CA C 13 54.087 0.000 . . . . . . A 33 ASP CA . 30968 1 403 . 1 . 1 33 33 ASP CB C 13 40.908 0.000 . . . . . . A 33 ASP CB . 30968 1 404 . 1 . 1 33 33 ASP N N 15 117.861 0.000 . . . . . . A 33 ASP N . 30968 1 405 . 1 . 1 34 34 GLY H H 1 8.075 0.000 . . . . . . A 34 GLY H . 30968 1 406 . 1 . 1 34 34 GLY HA2 H 1 4.029 0.000 . . . . . . A 34 GLY HA2 . 30968 1 407 . 1 . 1 34 34 GLY HA3 H 1 3.954 0.000 . . . . . . A 34 GLY HA3 . 30968 1 408 . 1 . 1 34 34 GLY C C 13 173.319 0.000 . . . . . . A 34 GLY C . 30968 1 409 . 1 . 1 34 34 GLY CA C 13 46.476 0.000 . . . . . . A 34 GLY CA . 30968 1 410 . 1 . 1 34 34 GLY N N 15 106.903 0.000 . . . . . . A 34 GLY N . 30968 1 411 . 1 . 1 35 35 CYS H H 1 7.634 0.000 . . . . . . A 35 CYS H . 30968 1 412 . 1 . 1 35 35 CYS HA H 1 5.283 0.000 . . . . . . A 35 CYS HA . 30968 1 413 . 1 . 1 35 35 CYS HB2 H 1 2.761 0.000 . . . . . . A 35 CYS HB2 . 30968 1 414 . 1 . 1 35 35 CYS HB3 H 1 2.833 0.000 . . . . . . A 35 CYS HB3 . 30968 1 415 . 1 . 1 35 35 CYS CA C 13 57.140 0.000 . . . . . . A 35 CYS CA . 30968 1 416 . 1 . 1 35 35 CYS CB C 13 30.930 0.000 . . . . . . A 35 CYS CB . 30968 1 417 . 1 . 1 35 35 CYS N N 15 115.184 0.000 . . . . . . A 35 CYS N . 30968 1 418 . 1 . 1 36 36 ILE HA H 1 4.407 0.000 . . . . . . A 36 ILE HA . 30968 1 419 . 1 . 1 36 36 ILE HB H 1 1.496 0.000 . . . . . . A 36 ILE HB . 30968 1 420 . 1 . 1 36 36 ILE HG12 H 1 1.069 0.000 . . . . . . A 36 ILE HG12 . 30968 1 421 . 1 . 1 36 36 ILE HG13 H 1 0.746 0.000 . . . . . . A 36 ILE HG13 . 30968 1 422 . 1 . 1 36 36 ILE HG21 H 1 0.168 0.000 . . . . . . A 36 ILE HG21 . 30968 1 423 . 1 . 1 36 36 ILE HG22 H 1 0.168 0.000 . . . . . . A 36 ILE HG22 . 30968 1 424 . 1 . 1 36 36 ILE HG23 H 1 0.168 0.000 . . . . . . A 36 ILE HG23 . 30968 1 425 . 1 . 1 36 36 ILE HD11 H 1 0.294 0.000 . . . . . . A 36 ILE HD11 . 30968 1 426 . 1 . 1 36 36 ILE HD12 H 1 0.294 0.000 . . . . . . A 36 ILE HD12 . 30968 1 427 . 1 . 1 36 36 ILE HD13 H 1 0.294 0.000 . . . . . . A 36 ILE HD13 . 30968 1 428 . 1 . 1 36 36 ILE CA C 13 59.538 0.000 . . . . . . A 36 ILE CA . 30968 1 429 . 1 . 1 36 36 ILE CB C 13 40.677 0.000 . . . . . . A 36 ILE CB . 30968 1 430 . 1 . 1 36 36 ILE CG1 C 13 25.712 0.000 . . . . . . A 36 ILE CG1 . 30968 1 431 . 1 . 1 36 36 ILE CG2 C 13 16.935 0.000 . . . . . . A 36 ILE CG2 . 30968 1 432 . 1 . 1 36 36 ILE CD1 C 13 14.045 0.000 . . . . . . A 36 ILE CD1 . 30968 1 433 . 1 . 1 37 37 SER HA H 1 4.926 0.000 . . . . . . A 37 SER HA . 30968 1 434 . 1 . 1 37 37 SER HB2 H 1 3.835 0.000 . . . . . . A 37 SER HB2 . 30968 1 435 . 1 . 1 37 37 SER HB3 H 1 4.178 0.000 . . . . . . A 37 SER HB3 . 30968 1 436 . 1 . 1 37 37 SER C C 13 177.557 0.000 . . . . . . A 37 SER C . 30968 1 437 . 1 . 1 37 37 SER CA C 13 57.113 0.000 . . . . . . A 37 SER CA . 30968 1 438 . 1 . 1 37 37 SER CB C 13 64.287 0.000 . . . . . . A 37 SER CB . 30968 1 439 . 1 . 1 38 38 THR H H 1 8.669 0.000 . . . . . . A 38 THR H . 30968 1 440 . 1 . 1 38 38 THR HA H 1 3.738 0.000 . . . . . . A 38 THR HA . 30968 1 441 . 1 . 1 38 38 THR HB H 1 4.242 0.000 . . . . . . A 38 THR HB . 30968 1 442 . 1 . 1 38 38 THR HG21 H 1 1.104 0.000 . . . . . . A 38 THR HG21 . 30968 1 443 . 1 . 1 38 38 THR HG22 H 1 1.104 0.000 . . . . . . A 38 THR HG22 . 30968 1 444 . 1 . 1 38 38 THR HG23 H 1 1.104 0.000 . . . . . . A 38 THR HG23 . 30968 1 445 . 1 . 1 38 38 THR C C 13 176.906 0.000 . . . . . . A 38 THR C . 30968 1 446 . 1 . 1 38 38 THR CA C 13 65.095 0.000 . . . . . . A 38 THR CA . 30968 1 447 . 1 . 1 38 38 THR CB C 13 67.379 0.000 . . . . . . A 38 THR CB . 30968 1 448 . 1 . 1 38 38 THR CG2 C 13 23.156 0.000 . . . . . . A 38 THR CG2 . 30968 1 449 . 1 . 1 38 38 THR N N 15 117.979 0.000 . . . . . . A 38 THR N . 30968 1 450 . 1 . 1 39 39 LYS H H 1 8.060 0.000 . . . . . . A 39 LYS H . 30968 1 451 . 1 . 1 39 39 LYS HA H 1 4.125 0.000 . . . . . . A 39 LYS HA . 30968 1 452 . 1 . 1 39 39 LYS HB2 H 1 1.823 0.000 . . . . . . A 39 LYS HB2 . 30968 1 453 . 1 . 1 39 39 LYS HB3 H 1 1.780 0.000 . . . . . . A 39 LYS HB3 . 30968 1 454 . 1 . 1 39 39 LYS HG2 H 1 1.484 0.000 . . . . . . A 39 LYS HG2 . 30968 1 455 . 1 . 1 39 39 LYS HG3 H 1 1.460 0.000 . . . . . . A 39 LYS HG3 . 30968 1 456 . 1 . 1 39 39 LYS HD2 H 1 1.655 0.000 . . . . . . A 39 LYS HD2 . 30968 1 457 . 1 . 1 39 39 LYS HD3 H 1 1.672 0.000 . . . . . . A 39 LYS HD3 . 30968 1 458 . 1 . 1 39 39 LYS HE2 H 1 2.963 0.000 . . . . . . A 39 LYS HE2 . 30968 1 459 . 1 . 1 39 39 LYS HE3 H 1 2.992 0.000 . . . . . . A 39 LYS HE3 . 30968 1 460 . 1 . 1 39 39 LYS C C 13 178.067 0.000 . . . . . . A 39 LYS C . 30968 1 461 . 1 . 1 39 39 LYS CA C 13 58.448 0.000 . . . . . . A 39 LYS CA . 30968 1 462 . 1 . 1 39 39 LYS CB C 13 32.118 0.000 . . . . . . A 39 LYS CB . 30968 1 463 . 1 . 1 39 39 LYS CG C 13 25.009 0.000 . . . . . . A 39 LYS CG . 30968 1 464 . 1 . 1 39 39 LYS CD C 13 28.780 0.000 . . . . . . A 39 LYS CD . 30968 1 465 . 1 . 1 39 39 LYS CE C 13 41.798 0.000 . . . . . . A 39 LYS CE . 30968 1 466 . 1 . 1 39 39 LYS N N 15 120.388 0.000 . . . . . . A 39 LYS N . 30968 1 467 . 1 . 1 40 40 GLU H H 1 7.598 0.000 . . . . . . A 40 GLU H . 30968 1 468 . 1 . 1 40 40 GLU HA H 1 4.241 0.000 . . . . . . A 40 GLU HA . 30968 1 469 . 1 . 1 40 40 GLU HB2 H 1 2.168 0.000 . . . . . . A 40 GLU HB2 . 30968 1 470 . 1 . 1 40 40 GLU HB3 H 1 2.142 0.000 . . . . . . A 40 GLU HB3 . 30968 1 471 . 1 . 1 40 40 GLU HG2 H 1 2.637 0.000 . . . . . . A 40 GLU HG2 . 30968 1 472 . 1 . 1 40 40 GLU HG3 H 1 2.526 0.000 . . . . . . A 40 GLU HG3 . 30968 1 473 . 1 . 1 40 40 GLU C C 13 177.038 0.000 . . . . . . A 40 GLU C . 30968 1 474 . 1 . 1 40 40 GLU CA C 13 58.325 0.000 . . . . . . A 40 GLU CA . 30968 1 475 . 1 . 1 40 40 GLU CB C 13 31.986 0.000 . . . . . . A 40 GLU CB . 30968 1 476 . 1 . 1 40 40 GLU CG C 13 36.190 0.000 . . . . . . A 40 GLU CG . 30968 1 477 . 1 . 1 40 40 GLU N N 15 116.632 0.000 . . . . . . A 40 GLU N . 30968 1 478 . 1 . 1 41 41 LEU H H 1 7.343 0.000 . . . . . . A 41 LEU H . 30968 1 479 . 1 . 1 41 41 LEU HA H 1 3.788 0.000 . . . . . . A 41 LEU HA . 30968 1 480 . 1 . 1 41 41 LEU HB2 H 1 1.623 0.000 . . . . . . A 41 LEU HB2 . 30968 1 481 . 1 . 1 41 41 LEU HB3 H 1 1.564 0.000 . . . . . . A 41 LEU HB3 . 30968 1 482 . 1 . 1 41 41 LEU HG H 1 1.516 0.000 . . . . . . A 41 LEU HG . 30968 1 483 . 1 . 1 41 41 LEU HD11 H 1 0.928 0.000 . . . . . . A 41 LEU HD11 . 30968 1 484 . 1 . 1 41 41 LEU HD12 H 1 0.928 0.000 . . . . . . A 41 LEU HD12 . 30968 1 485 . 1 . 1 41 41 LEU HD13 H 1 0.928 0.000 . . . . . . A 41 LEU HD13 . 30968 1 486 . 1 . 1 41 41 LEU HD21 H 1 0.943 0.000 . . . . . . A 41 LEU HD21 . 30968 1 487 . 1 . 1 41 41 LEU HD22 H 1 0.943 0.000 . . . . . . A 41 LEU HD22 . 30968 1 488 . 1 . 1 41 41 LEU HD23 H 1 0.943 0.000 . . . . . . A 41 LEU HD23 . 30968 1 489 . 1 . 1 41 41 LEU C C 13 177.972 0.000 . . . . . . A 41 LEU C . 30968 1 490 . 1 . 1 41 41 LEU CA C 13 58.130 0.000 . . . . . . A 41 LEU CA . 30968 1 491 . 1 . 1 41 41 LEU CB C 13 42.613 0.000 . . . . . . A 41 LEU CB . 30968 1 492 . 1 . 1 41 41 LEU CG C 13 26.667 0.000 . . . . . . A 41 LEU CG . 30968 1 493 . 1 . 1 41 41 LEU CD1 C 13 24.892 0.000 . . . . . . A 41 LEU CD1 . 30968 1 494 . 1 . 1 41 41 LEU CD2 C 13 24.892 0.000 . . . . . . A 41 LEU CD2 . 30968 1 495 . 1 . 1 41 41 LEU N N 15 119.289 0.000 . . . . . . A 41 LEU N . 30968 1 496 . 1 . 1 42 42 GLY H H 1 8.703 0.000 . . . . . . A 42 GLY H . 30968 1 497 . 1 . 1 42 42 GLY HA2 H 1 3.786 0.000 . . . . . . A 42 GLY HA2 . 30968 1 498 . 1 . 1 42 42 GLY HA3 H 1 3.491 0.000 . . . . . . A 42 GLY HA3 . 30968 1 499 . 1 . 1 42 42 GLY C C 13 175.509 0.000 . . . . . . A 42 GLY C . 30968 1 500 . 1 . 1 42 42 GLY CA C 13 47.451 0.000 . . . . . . A 42 GLY CA . 30968 1 501 . 1 . 1 42 42 GLY N N 15 105.848 0.000 . . . . . . A 42 GLY N . 30968 1 502 . 1 . 1 43 43 LYS H H 1 7.386 0.000 . . . . . . A 43 LYS H . 30968 1 503 . 1 . 1 43 43 LYS HA H 1 3.927 0.000 . . . . . . A 43 LYS HA . 30968 1 504 . 1 . 1 43 43 LYS HB2 H 1 1.895 0.000 . . . . . . A 43 LYS HB2 . 30968 1 505 . 1 . 1 43 43 LYS HB3 H 1 1.806 0.000 . . . . . . A 43 LYS HB3 . 30968 1 506 . 1 . 1 43 43 LYS HG2 H 1 1.357 0.000 . . . . . . A 43 LYS HG2 . 30968 1 507 . 1 . 1 43 43 LYS HG3 H 1 1.477 0.000 . . . . . . A 43 LYS HG3 . 30968 1 508 . 1 . 1 43 43 LYS HD2 H 1 1.661 0.000 . . . . . . A 43 LYS HD2 . 30968 1 509 . 1 . 1 43 43 LYS HD3 H 1 1.646 0.000 . . . . . . A 43 LYS HD3 . 30968 1 510 . 1 . 1 43 43 LYS HE2 H 1 2.978 0.000 . . . . . . A 43 LYS HE2 . 30968 1 511 . 1 . 1 43 43 LYS HE3 H 1 2.915 0.000 . . . . . . A 43 LYS HE3 . 30968 1 512 . 1 . 1 43 43 LYS C C 13 179.256 0.000 . . . . . . A 43 LYS C . 30968 1 513 . 1 . 1 43 43 LYS CA C 13 59.486 0.000 . . . . . . A 43 LYS CA . 30968 1 514 . 1 . 1 43 43 LYS CB C 13 32.444 0.000 . . . . . . A 43 LYS CB . 30968 1 515 . 1 . 1 43 43 LYS CG C 13 25.001 0.000 . . . . . . A 43 LYS CG . 30968 1 516 . 1 . 1 43 43 LYS CD C 13 29.184 0.000 . . . . . . A 43 LYS CD . 30968 1 517 . 1 . 1 43 43 LYS CE C 13 41.783 0.000 . . . . . . A 43 LYS CE . 30968 1 518 . 1 . 1 43 43 LYS N N 15 121.070 0.000 . . . . . . A 43 LYS N . 30968 1 519 . 1 . 1 44 44 VAL H H 1 7.504 0.000 . . . . . . A 44 VAL H . 30968 1 520 . 1 . 1 44 44 VAL HA H 1 3.512 0.000 . . . . . . A 44 VAL HA . 30968 1 521 . 1 . 1 44 44 VAL HB H 1 1.818 0.000 . . . . . . A 44 VAL HB . 30968 1 522 . 1 . 1 44 44 VAL HG11 H 1 0.554 0.000 . . . . . . A 44 VAL HG11 . 30968 1 523 . 1 . 1 44 44 VAL HG12 H 1 0.554 0.000 . . . . . . A 44 VAL HG12 . 30968 1 524 . 1 . 1 44 44 VAL HG13 H 1 0.554 0.000 . . . . . . A 44 VAL HG13 . 30968 1 525 . 1 . 1 44 44 VAL HG21 H 1 0.759 0.000 . . . . . . A 44 VAL HG21 . 30968 1 526 . 1 . 1 44 44 VAL HG22 H 1 0.759 0.000 . . . . . . A 44 VAL HG22 . 30968 1 527 . 1 . 1 44 44 VAL HG23 H 1 0.759 0.000 . . . . . . A 44 VAL HG23 . 30968 1 528 . 1 . 1 44 44 VAL C C 13 177.538 0.000 . . . . . . A 44 VAL C . 30968 1 529 . 1 . 1 44 44 VAL CA C 13 65.783 0.000 . . . . . . A 44 VAL CA . 30968 1 530 . 1 . 1 44 44 VAL CB C 13 31.278 0.000 . . . . . . A 44 VAL CB . 30968 1 531 . 1 . 1 44 44 VAL CG1 C 13 22.370 0.000 . . . . . . A 44 VAL CG1 . 30968 1 532 . 1 . 1 44 44 VAL CG2 C 13 22.220 0.000 . . . . . . A 44 VAL CG2 . 30968 1 533 . 1 . 1 44 44 VAL N N 15 119.967 0.000 . . . . . . A 44 VAL N . 30968 1 534 . 1 . 1 45 45 MET H H 1 8.287 0.000 . . . . . . A 45 MET H . 30968 1 535 . 1 . 1 45 45 MET HA H 1 3.966 0.000 . . . . . . A 45 MET HA . 30968 1 536 . 1 . 1 45 45 MET HB2 H 1 2.023 0.000 . . . . . . A 45 MET HB2 . 30968 1 537 . 1 . 1 45 45 MET HB3 H 1 1.747 0.000 . . . . . . A 45 MET HB3 . 30968 1 538 . 1 . 1 45 45 MET HG2 H 1 2.729 0.000 . . . . . . A 45 MET HG2 . 30968 1 539 . 1 . 1 45 45 MET HG3 H 1 2.488 0.000 . . . . . . A 45 MET HG3 . 30968 1 540 . 1 . 1 45 45 MET HE1 H 1 1.779 0.000 . . . . . . A 45 MET HE1 . 30968 1 541 . 1 . 1 45 45 MET HE2 H 1 1.779 0.000 . . . . . . A 45 MET HE2 . 30968 1 542 . 1 . 1 45 45 MET HE3 H 1 1.779 0.000 . . . . . . A 45 MET HE3 . 30968 1 543 . 1 . 1 45 45 MET C C 13 178.767 0.000 . . . . . . A 45 MET C . 30968 1 544 . 1 . 1 45 45 MET CA C 13 59.796 0.000 . . . . . . A 45 MET CA . 30968 1 545 . 1 . 1 45 45 MET CB C 13 31.296 0.000 . . . . . . A 45 MET CB . 30968 1 546 . 1 . 1 45 45 MET CG C 13 34.106 0.000 . . . . . . A 45 MET CG . 30968 1 547 . 1 . 1 45 45 MET CE C 13 18.558 0.000 . . . . . . A 45 MET CE . 30968 1 548 . 1 . 1 45 45 MET N N 15 117.041 0.000 . . . . . . A 45 MET N . 30968 1 549 . 1 . 1 46 46 ARG H H 1 7.993 0.000 . . . . . . A 46 ARG H . 30968 1 550 . 1 . 1 46 46 ARG HA H 1 4.514 0.000 . . . . . . A 46 ARG HA . 30968 1 551 . 1 . 1 46 46 ARG HB2 H 1 1.874 0.000 . . . . . . A 46 ARG HB2 . 30968 1 552 . 1 . 1 46 46 ARG HB3 H 1 1.931 0.000 . . . . . . A 46 ARG HB3 . 30968 1 553 . 1 . 1 46 46 ARG HG2 H 1 1.738 0.000 . . . . . . A 46 ARG HG2 . 30968 1 554 . 1 . 1 46 46 ARG HG3 H 1 1.878 0.000 . . . . . . A 46 ARG HG3 . 30968 1 555 . 1 . 1 46 46 ARG HD2 H 1 3.257 0.000 . . . . . . A 46 ARG HD2 . 30968 1 556 . 1 . 1 46 46 ARG HD3 H 1 3.142 0.000 . . . . . . A 46 ARG HD3 . 30968 1 557 . 1 . 1 46 46 ARG C C 13 181.304 0.000 . . . . . . A 46 ARG C . 30968 1 558 . 1 . 1 46 46 ARG CA C 13 59.343 0.000 . . . . . . A 46 ARG CA . 30968 1 559 . 1 . 1 46 46 ARG CB C 13 29.862 0.000 . . . . . . A 46 ARG CB . 30968 1 560 . 1 . 1 46 46 ARG CG C 13 28.337 0.000 . . . . . . A 46 ARG CG . 30968 1 561 . 1 . 1 46 46 ARG CD C 13 43.412 0.000 . . . . . . A 46 ARG CD . 30968 1 562 . 1 . 1 46 46 ARG N N 15 118.975 0.000 . . . . . . A 46 ARG N . 30968 1 563 . 1 . 1 47 47 MET H H 1 7.947 0.000 . . . . . . A 47 MET H . 30968 1 564 . 1 . 1 47 47 MET HA H 1 4.220 0.000 . . . . . . A 47 MET HA . 30968 1 565 . 1 . 1 47 47 MET HB2 H 1 2.350 0.000 . . . . . . A 47 MET HB2 . 30968 1 566 . 1 . 1 47 47 MET HB3 H 1 2.460 0.000 . . . . . . A 47 MET HB3 . 30968 1 567 . 1 . 1 47 47 MET HG2 H 1 2.693 0.000 . . . . . . A 47 MET HG2 . 30968 1 568 . 1 . 1 47 47 MET HG3 H 1 2.834 0.000 . . . . . . A 47 MET HG3 . 30968 1 569 . 1 . 1 47 47 MET HE1 H 1 2.201 0.000 . . . . . . A 47 MET HE1 . 30968 1 570 . 1 . 1 47 47 MET HE2 H 1 2.201 0.000 . . . . . . A 47 MET HE2 . 30968 1 571 . 1 . 1 47 47 MET HE3 H 1 2.201 0.000 . . . . . . A 47 MET HE3 . 30968 1 572 . 1 . 1 47 47 MET C C 13 177.132 0.000 . . . . . . A 47 MET C . 30968 1 573 . 1 . 1 47 47 MET CA C 13 59.011 0.000 . . . . . . A 47 MET CA . 30968 1 574 . 1 . 1 47 47 MET CB C 13 32.369 0.000 . . . . . . A 47 MET CB . 30968 1 575 . 1 . 1 47 47 MET CG C 13 32.235 0.000 . . . . . . A 47 MET CG . 30968 1 576 . 1 . 1 47 47 MET CE C 13 17.183 0.000 . . . . . . A 47 MET CE . 30968 1 577 . 1 . 1 47 47 MET N N 15 121.963 0.000 . . . . . . A 47 MET N . 30968 1 578 . 1 . 1 48 48 LEU H H 1 7.375 0.000 . . . . . . A 48 LEU H . 30968 1 579 . 1 . 1 48 48 LEU HA H 1 4.514 0.000 . . . . . . A 48 LEU HA . 30968 1 580 . 1 . 1 48 48 LEU HB2 H 1 1.837 0.000 . . . . . . A 48 LEU HB2 . 30968 1 581 . 1 . 1 48 48 LEU HB3 H 1 1.802 0.000 . . . . . . A 48 LEU HB3 . 30968 1 582 . 1 . 1 48 48 LEU HG H 1 1.912 0.000 . . . . . . A 48 LEU HG . 30968 1 583 . 1 . 1 48 48 LEU HD11 H 1 1.058 0.000 . . . . . . A 48 LEU HD11 . 30968 1 584 . 1 . 1 48 48 LEU HD12 H 1 1.058 0.000 . . . . . . A 48 LEU HD12 . 30968 1 585 . 1 . 1 48 48 LEU HD13 H 1 1.058 0.000 . . . . . . A 48 LEU HD13 . 30968 1 586 . 1 . 1 48 48 LEU HD21 H 1 1.097 0.000 . . . . . . A 48 LEU HD21 . 30968 1 587 . 1 . 1 48 48 LEU HD22 H 1 1.097 0.000 . . . . . . A 48 LEU HD22 . 30968 1 588 . 1 . 1 48 48 LEU HD23 H 1 1.097 0.000 . . . . . . A 48 LEU HD23 . 30968 1 589 . 1 . 1 48 48 LEU C C 13 176.970 0.000 . . . . . . A 48 LEU C . 30968 1 590 . 1 . 1 48 48 LEU CA C 13 54.013 0.000 . . . . . . A 48 LEU CA . 30968 1 591 . 1 . 1 48 48 LEU CB C 13 42.099 0.000 . . . . . . A 48 LEU CB . 30968 1 592 . 1 . 1 48 48 LEU CG C 13 26.517 0.000 . . . . . . A 48 LEU CG . 30968 1 593 . 1 . 1 48 48 LEU CD1 C 13 26.322 0.000 . . . . . . A 48 LEU CD1 . 30968 1 594 . 1 . 1 48 48 LEU CD2 C 13 22.856 0.000 . . . . . . A 48 LEU CD2 . 30968 1 595 . 1 . 1 48 48 LEU N N 15 117.432 0.000 . . . . . . A 48 LEU N . 30968 1 596 . 1 . 1 49 49 GLY H H 1 7.803 0.000 . . . . . . A 49 GLY H . 30968 1 597 . 1 . 1 49 49 GLY HA2 H 1 3.789 0.000 . . . . . . A 49 GLY HA2 . 30968 1 598 . 1 . 1 49 49 GLY HA3 H 1 4.176 0.000 . . . . . . A 49 GLY HA3 . 30968 1 599 . 1 . 1 49 49 GLY C C 13 174.040 0.000 . . . . . . A 49 GLY C . 30968 1 600 . 1 . 1 49 49 GLY CA C 13 45.893 0.000 . . . . . . A 49 GLY CA . 30968 1 601 . 1 . 1 49 49 GLY N N 15 107.196 0.000 . . . . . . A 49 GLY N . 30968 1 602 . 1 . 1 50 50 GLN H H 1 8.141 0.000 . . . . . . A 50 GLN H . 30968 1 603 . 1 . 1 50 50 GLN HA H 1 4.448 0.000 . . . . . . A 50 GLN HA . 30968 1 604 . 1 . 1 50 50 GLN HB2 H 1 1.560 0.000 . . . . . . A 50 GLN HB2 . 30968 1 605 . 1 . 1 50 50 GLN HB3 H 1 2.064 0.000 . . . . . . A 50 GLN HB3 . 30968 1 606 . 1 . 1 50 50 GLN HG2 H 1 2.087 0.000 . . . . . . A 50 GLN HG2 . 30968 1 607 . 1 . 1 50 50 GLN HG3 H 1 2.123 0.000 . . . . . . A 50 GLN HG3 . 30968 1 608 . 1 . 1 50 50 GLN HE21 H 1 7.338 0.000 . . . . . . A 50 GLN HE21 . 30968 1 609 . 1 . 1 50 50 GLN HE22 H 1 6.843 0.000 . . . . . . A 50 GLN HE22 . 30968 1 610 . 1 . 1 50 50 GLN C C 13 174.017 0.000 . . . . . . A 50 GLN C . 30968 1 611 . 1 . 1 50 50 GLN CA C 13 53.289 0.000 . . . . . . A 50 GLN CA . 30968 1 612 . 1 . 1 50 50 GLN CB C 13 30.073 0.000 . . . . . . A 50 GLN CB . 30968 1 613 . 1 . 1 50 50 GLN CG C 13 33.064 0.000 . . . . . . A 50 GLN CG . 30968 1 614 . 1 . 1 50 50 GLN N N 15 118.307 0.000 . . . . . . A 50 GLN N . 30968 1 615 . 1 . 1 50 50 GLN NE2 N 15 112.900 0.000 . . . . . . A 50 GLN NE2 . 30968 1 616 . 1 . 1 51 51 ASN H H 1 8.734 0.000 . . . . . . A 51 ASN H . 30968 1 617 . 1 . 1 51 51 ASN HA H 1 5.106 0.000 . . . . . . A 51 ASN HA . 30968 1 618 . 1 . 1 51 51 ASN HB2 H 1 2.480 0.000 . . . . . . A 51 ASN HB2 . 30968 1 619 . 1 . 1 51 51 ASN HB3 H 1 2.710 0.000 . . . . . . A 51 ASN HB3 . 30968 1 620 . 1 . 1 51 51 ASN HD21 H 1 7.515 0.000 . . . . . . A 51 ASN HD21 . 30968 1 621 . 1 . 1 51 51 ASN HD22 H 1 6.750 0.000 . . . . . . A 51 ASN HD22 . 30968 1 622 . 1 . 1 51 51 ASN CA C 13 51.235 0.000 . . . . . . A 51 ASN CA . 30968 1 623 . 1 . 1 51 51 ASN CB C 13 39.567 0.000 . . . . . . A 51 ASN CB . 30968 1 624 . 1 . 1 51 51 ASN N N 15 117.359 0.000 . . . . . . A 51 ASN N . 30968 1 625 . 1 . 1 51 51 ASN ND2 N 15 112.800 0.000 . . . . . . A 51 ASN ND2 . 30968 1 626 . 1 . 1 52 52 PRO HA H 1 4.716 0.000 . . . . . . A 52 PRO HA . 30968 1 627 . 1 . 1 52 52 PRO HB2 H 1 2.199 0.000 . . . . . . A 52 PRO HB2 . 30968 1 628 . 1 . 1 52 52 PRO HB3 H 1 1.902 0.000 . . . . . . A 52 PRO HB3 . 30968 1 629 . 1 . 1 52 52 PRO HG2 H 1 1.904 0.000 . . . . . . A 52 PRO HG2 . 30968 1 630 . 1 . 1 52 52 PRO HG3 H 1 1.941 0.000 . . . . . . A 52 PRO HG3 . 30968 1 631 . 1 . 1 52 52 PRO HD2 H 1 3.571 0.000 . . . . . . A 52 PRO HD2 . 30968 1 632 . 1 . 1 52 52 PRO HD3 H 1 3.290 0.000 . . . . . . A 52 PRO HD3 . 30968 1 633 . 1 . 1 52 52 PRO C C 13 177.387 0.000 . . . . . . A 52 PRO C . 30968 1 634 . 1 . 1 52 52 PRO CA C 13 62.515 0.000 . . . . . . A 52 PRO CA . 30968 1 635 . 1 . 1 52 52 PRO CB C 13 31.227 0.000 . . . . . . A 52 PRO CB . 30968 1 636 . 1 . 1 52 52 PRO CG C 13 27.283 0.000 . . . . . . A 52 PRO CG . 30968 1 637 . 1 . 1 52 52 PRO CD C 13 49.799 0.000 . . . . . . A 52 PRO CD . 30968 1 638 . 1 . 1 53 53 THR H H 1 8.955 0.000 . . . . . . A 53 THR H . 30968 1 639 . 1 . 1 53 53 THR HA H 1 4.562 0.000 . . . . . . A 53 THR HA . 30968 1 640 . 1 . 1 53 53 THR HB H 1 4.777 0.000 . . . . . . A 53 THR HB . 30968 1 641 . 1 . 1 53 53 THR HG21 H 1 1.380 0.000 . . . . . . A 53 THR HG21 . 30968 1 642 . 1 . 1 53 53 THR HG22 H 1 1.380 0.000 . . . . . . A 53 THR HG22 . 30968 1 643 . 1 . 1 53 53 THR HG23 H 1 1.380 0.000 . . . . . . A 53 THR HG23 . 30968 1 644 . 1 . 1 53 53 THR CA C 13 60.354 0.000 . . . . . . A 53 THR CA . 30968 1 645 . 1 . 1 53 53 THR CB C 13 67.960 0.000 . . . . . . A 53 THR CB . 30968 1 646 . 1 . 1 53 53 THR CG2 C 13 22.055 0.000 . . . . . . A 53 THR CG2 . 30968 1 647 . 1 . 1 53 53 THR N N 15 114.990 0.000 . . . . . . A 53 THR N . 30968 1 648 . 1 . 1 54 54 PRO HA H 1 4.161 0.000 . . . . . . A 54 PRO HA . 30968 1 649 . 1 . 1 54 54 PRO HB2 H 1 1.875 0.000 . . . . . . A 54 PRO HB2 . 30968 1 650 . 1 . 1 54 54 PRO HB3 H 1 2.363 0.000 . . . . . . A 54 PRO HB3 . 30968 1 651 . 1 . 1 54 54 PRO HG2 H 1 2.007 0.000 . . . . . . A 54 PRO HG2 . 30968 1 652 . 1 . 1 54 54 PRO HG3 H 1 2.228 0.000 . . . . . . A 54 PRO HG3 . 30968 1 653 . 1 . 1 54 54 PRO HD2 H 1 3.879 0.000 . . . . . . A 54 PRO HD2 . 30968 1 654 . 1 . 1 54 54 PRO HD3 H 1 3.939 0.000 . . . . . . A 54 PRO HD3 . 30968 1 655 . 1 . 1 54 54 PRO C C 13 179.652 0.000 . . . . . . A 54 PRO C . 30968 1 656 . 1 . 1 54 54 PRO CA C 13 65.756 0.000 . . . . . . A 54 PRO CA . 30968 1 657 . 1 . 1 54 54 PRO CB C 13 31.529 0.000 . . . . . . A 54 PRO CB . 30968 1 658 . 1 . 1 54 54 PRO CG C 13 28.177 0.000 . . . . . . A 54 PRO CG . 30968 1 659 . 1 . 1 54 54 PRO CD C 13 50.049 0.000 . . . . . . A 54 PRO CD . 30968 1 660 . 1 . 1 55 55 GLU H H 1 8.842 0.000 . . . . . . A 55 GLU H . 30968 1 661 . 1 . 1 55 55 GLU HA H 1 3.999 0.000 . . . . . . A 55 GLU HA . 30968 1 662 . 1 . 1 55 55 GLU HB2 H 1 2.041 0.000 . . . . . . A 55 GLU HB2 . 30968 1 663 . 1 . 1 55 55 GLU HB3 H 1 1.920 0.000 . . . . . . A 55 GLU HB3 . 30968 1 664 . 1 . 1 55 55 GLU HG2 H 1 2.478 0.000 . . . . . . A 55 GLU HG2 . 30968 1 665 . 1 . 1 55 55 GLU HG3 H 1 2.207 0.000 . . . . . . A 55 GLU HG3 . 30968 1 666 . 1 . 1 55 55 GLU C C 13 179.209 0.000 . . . . . . A 55 GLU C . 30968 1 667 . 1 . 1 55 55 GLU CA C 13 60.431 0.000 . . . . . . A 55 GLU CA . 30968 1 668 . 1 . 1 55 55 GLU CB C 13 28.569 0.000 . . . . . . A 55 GLU CB . 30968 1 669 . 1 . 1 55 55 GLU CG C 13 37.178 0.000 . . . . . . A 55 GLU CG . 30968 1 670 . 1 . 1 55 55 GLU N N 15 117.568 0.000 . . . . . . A 55 GLU N . 30968 1 671 . 1 . 1 56 56 GLU H H 1 7.853 0.000 . . . . . . A 56 GLU H . 30968 1 672 . 1 . 1 56 56 GLU HA H 1 3.991 0.000 . . . . . . A 56 GLU HA . 30968 1 673 . 1 . 1 56 56 GLU HB2 H 1 1.806 0.000 . . . . . . A 56 GLU HB2 . 30968 1 674 . 1 . 1 56 56 GLU HB3 H 1 2.294 0.000 . . . . . . A 56 GLU HB3 . 30968 1 675 . 1 . 1 56 56 GLU HG2 H 1 2.296 0.000 . . . . . . A 56 GLU HG2 . 30968 1 676 . 1 . 1 56 56 GLU HG3 H 1 2.321 0.000 . . . . . . A 56 GLU HG3 . 30968 1 677 . 1 . 1 56 56 GLU C C 13 179.624 0.000 . . . . . . A 56 GLU C . 30968 1 678 . 1 . 1 56 56 GLU CA C 13 58.847 0.000 . . . . . . A 56 GLU CA . 30968 1 679 . 1 . 1 56 56 GLU CB C 13 29.714 0.000 . . . . . . A 56 GLU CB . 30968 1 680 . 1 . 1 56 56 GLU CG C 13 37.060 0.000 . . . . . . A 56 GLU CG . 30968 1 681 . 1 . 1 56 56 GLU N N 15 122.139 0.000 . . . . . . A 56 GLU N . 30968 1 682 . 1 . 1 57 57 LEU H H 1 8.410 0.000 . . . . . . A 57 LEU H . 30968 1 683 . 1 . 1 57 57 LEU HA H 1 4.007 0.000 . . . . . . A 57 LEU HA . 30968 1 684 . 1 . 1 57 57 LEU HB2 H 1 1.652 0.000 . . . . . . A 57 LEU HB2 . 30968 1 685 . 1 . 1 57 57 LEU HB3 H 1 1.577 0.000 . . . . . . A 57 LEU HB3 . 30968 1 686 . 1 . 1 57 57 LEU HG H 1 1.573 0.000 . . . . . . A 57 LEU HG . 30968 1 687 . 1 . 1 57 57 LEU HD11 H 1 0.789 0.000 . . . . . . A 57 LEU HD11 . 30968 1 688 . 1 . 1 57 57 LEU HD12 H 1 0.789 0.000 . . . . . . A 57 LEU HD12 . 30968 1 689 . 1 . 1 57 57 LEU HD13 H 1 0.789 0.000 . . . . . . A 57 LEU HD13 . 30968 1 690 . 1 . 1 57 57 LEU HD21 H 1 0.798 0.000 . . . . . . A 57 LEU HD21 . 30968 1 691 . 1 . 1 57 57 LEU HD22 H 1 0.798 0.000 . . . . . . A 57 LEU HD22 . 30968 1 692 . 1 . 1 57 57 LEU HD23 H 1 0.798 0.000 . . . . . . A 57 LEU HD23 . 30968 1 693 . 1 . 1 57 57 LEU C C 13 177.963 0.000 . . . . . . A 57 LEU C . 30968 1 694 . 1 . 1 57 57 LEU CA C 13 57.736 0.000 . . . . . . A 57 LEU CA . 30968 1 695 . 1 . 1 57 57 LEU CB C 13 41.876 0.000 . . . . . . A 57 LEU CB . 30968 1 696 . 1 . 1 57 57 LEU CG C 13 26.844 0.000 . . . . . . A 57 LEU CG . 30968 1 697 . 1 . 1 57 57 LEU CD1 C 13 24.775 0.000 . . . . . . A 57 LEU CD1 . 30968 1 698 . 1 . 1 57 57 LEU CD2 C 13 24.358 0.000 . . . . . . A 57 LEU CD2 . 30968 1 699 . 1 . 1 57 57 LEU N N 15 120.088 0.000 . . . . . . A 57 LEU N . 30968 1 700 . 1 . 1 58 58 GLN H H 1 8.023 0.000 . . . . . . A 58 GLN H . 30968 1 701 . 1 . 1 58 58 GLN HA H 1 3.753 0.000 . . . . . . A 58 GLN HA . 30968 1 702 . 1 . 1 58 58 GLN HB2 H 1 2.016 0.000 . . . . . . A 58 GLN HB2 . 30968 1 703 . 1 . 1 58 58 GLN HB3 H 1 2.115 0.000 . . . . . . A 58 GLN HB3 . 30968 1 704 . 1 . 1 58 58 GLN HG2 H 1 2.409 0.000 . . . . . . A 58 GLN HG2 . 30968 1 705 . 1 . 1 58 58 GLN HG3 H 1 2.357 0.000 . . . . . . A 58 GLN HG3 . 30968 1 706 . 1 . 1 58 58 GLN HE21 H 1 7.500 0.000 . . . . . . A 58 GLN HE21 . 30968 1 707 . 1 . 1 58 58 GLN HE22 H 1 6.820 0.000 . . . . . . A 58 GLN HE22 . 30968 1 708 . 1 . 1 58 58 GLN C C 13 177.245 0.000 . . . . . . A 58 GLN C . 30968 1 709 . 1 . 1 58 58 GLN CA C 13 58.237 0.000 . . . . . . A 58 GLN CA . 30968 1 710 . 1 . 1 58 58 GLN CB C 13 28.100 0.000 . . . . . . A 58 GLN CB . 30968 1 711 . 1 . 1 58 58 GLN CG C 13 33.429 0.000 . . . . . . A 58 GLN CG . 30968 1 712 . 1 . 1 58 58 GLN N N 15 117.829 0.000 . . . . . . A 58 GLN N . 30968 1 713 . 1 . 1 58 58 GLN NE2 N 15 112.500 0.000 . . . . . . A 58 GLN NE2 . 30968 1 714 . 1 . 1 59 59 GLU H H 1 7.739 0.000 . . . . . . A 59 GLU H . 30968 1 715 . 1 . 1 59 59 GLU HA H 1 4.046 0.000 . . . . . . A 59 GLU HA . 30968 1 716 . 1 . 1 59 59 GLU HB2 H 1 2.060 0.000 . . . . . . A 59 GLU HB2 . 30968 1 717 . 1 . 1 59 59 GLU HB3 H 1 2.040 0.000 . . . . . . A 59 GLU HB3 . 30968 1 718 . 1 . 1 59 59 GLU HG2 H 1 2.182 0.000 . . . . . . A 59 GLU HG2 . 30968 1 719 . 1 . 1 59 59 GLU HG3 H 1 2.418 0.000 . . . . . . A 59 GLU HG3 . 30968 1 720 . 1 . 1 59 59 GLU C C 13 178.935 0.000 . . . . . . A 59 GLU C . 30968 1 721 . 1 . 1 59 59 GLU CA C 13 59.398 0.000 . . . . . . A 59 GLU CA . 30968 1 722 . 1 . 1 59 59 GLU CB C 13 29.292 0.000 . . . . . . A 59 GLU CB . 30968 1 723 . 1 . 1 59 59 GLU CG C 13 36.214 0.000 . . . . . . A 59 GLU CG . 30968 1 724 . 1 . 1 59 59 GLU N N 15 118.154 0.000 . . . . . . A 59 GLU N . 30968 1 725 . 1 . 1 60 60 MET H H 1 7.638 0.000 . . . . . . A 60 MET H . 30968 1 726 . 1 . 1 60 60 MET HA H 1 4.000 0.000 . . . . . . A 60 MET HA . 30968 1 727 . 1 . 1 60 60 MET HB2 H 1 2.283 0.000 . . . . . . A 60 MET HB2 . 30968 1 728 . 1 . 1 60 60 MET HB3 H 1 1.938 0.000 . . . . . . A 60 MET HB3 . 30968 1 729 . 1 . 1 60 60 MET HG2 H 1 2.754 0.000 . . . . . . A 60 MET HG2 . 30968 1 730 . 1 . 1 60 60 MET HG3 H 1 2.420 0.000 . . . . . . A 60 MET HG3 . 30968 1 731 . 1 . 1 60 60 MET HE1 H 1 1.922 0.000 . . . . . . A 60 MET HE1 . 30968 1 732 . 1 . 1 60 60 MET HE2 H 1 1.922 0.000 . . . . . . A 60 MET HE2 . 30968 1 733 . 1 . 1 60 60 MET HE3 H 1 1.922 0.000 . . . . . . A 60 MET HE3 . 30968 1 734 . 1 . 1 60 60 MET C C 13 178.340 0.000 . . . . . . A 60 MET C . 30968 1 735 . 1 . 1 60 60 MET CA C 13 59.343 0.000 . . . . . . A 60 MET CA . 30968 1 736 . 1 . 1 60 60 MET CB C 13 33.362 0.000 . . . . . . A 60 MET CB . 30968 1 737 . 1 . 1 60 60 MET CG C 13 32.291 0.000 . . . . . . A 60 MET CG . 30968 1 738 . 1 . 1 60 60 MET CE C 13 17.202 0.000 . . . . . . A 60 MET CE . 30968 1 739 . 1 . 1 60 60 MET N N 15 117.453 0.000 . . . . . . A 60 MET N . 30968 1 740 . 1 . 1 61 61 ILE H H 1 8.121 0.000 . . . . . . A 61 ILE H . 30968 1 741 . 1 . 1 61 61 ILE HA H 1 3.387 0.000 . . . . . . A 61 ILE HA . 30968 1 742 . 1 . 1 61 61 ILE HB H 1 1.843 0.000 . . . . . . A 61 ILE HB . 30968 1 743 . 1 . 1 61 61 ILE HG12 H 1 1.741 0.000 . . . . . . A 61 ILE HG12 . 30968 1 744 . 1 . 1 61 61 ILE HG13 H 1 0.680 0.000 . . . . . . A 61 ILE HG13 . 30968 1 745 . 1 . 1 61 61 ILE HG21 H 1 0.880 0.000 . . . . . . A 61 ILE HG21 . 30968 1 746 . 1 . 1 61 61 ILE HG22 H 1 0.880 0.000 . . . . . . A 61 ILE HG22 . 30968 1 747 . 1 . 1 61 61 ILE HG23 H 1 0.880 0.000 . . . . . . A 61 ILE HG23 . 30968 1 748 . 1 . 1 61 61 ILE HD11 H 1 0.768 0.000 . . . . . . A 61 ILE HD11 . 30968 1 749 . 1 . 1 61 61 ILE HD12 H 1 0.768 0.000 . . . . . . A 61 ILE HD12 . 30968 1 750 . 1 . 1 61 61 ILE HD13 H 1 0.768 0.000 . . . . . . A 61 ILE HD13 . 30968 1 751 . 1 . 1 61 61 ILE C C 13 177.378 0.000 . . . . . . A 61 ILE C . 30968 1 752 . 1 . 1 61 61 ILE CA C 13 65.531 0.000 . . . . . . A 61 ILE CA . 30968 1 753 . 1 . 1 61 61 ILE CB C 13 37.813 0.000 . . . . . . A 61 ILE CB . 30968 1 754 . 1 . 1 61 61 ILE CG1 C 13 30.119 0.000 . . . . . . A 61 ILE CG1 . 30968 1 755 . 1 . 1 61 61 ILE CG2 C 13 17.526 0.000 . . . . . . A 61 ILE CG2 . 30968 1 756 . 1 . 1 61 61 ILE CD1 C 13 14.034 0.000 . . . . . . A 61 ILE CD1 . 30968 1 757 . 1 . 1 61 61 ILE N N 15 120.440 0.000 . . . . . . A 61 ILE N . 30968 1 758 . 1 . 1 62 62 ASP H H 1 8.596 0.000 . . . . . . A 62 ASP H . 30968 1 759 . 1 . 1 62 62 ASP HA H 1 4.273 0.000 . . . . . . A 62 ASP HA . 30968 1 760 . 1 . 1 62 62 ASP HB2 H 1 2.619 0.000 . . . . . . A 62 ASP HB2 . 30968 1 761 . 1 . 1 62 62 ASP HB3 H 1 2.750 0.000 . . . . . . A 62 ASP HB3 . 30968 1 762 . 1 . 1 62 62 ASP C C 13 178.038 0.000 . . . . . . A 62 ASP C . 30968 1 763 . 1 . 1 62 62 ASP CA C 13 56.834 0.000 . . . . . . A 62 ASP CA . 30968 1 764 . 1 . 1 62 62 ASP CB C 13 40.004 0.000 . . . . . . A 62 ASP CB . 30968 1 765 . 1 . 1 62 62 ASP N N 15 119.502 0.000 . . . . . . A 62 ASP N . 30968 1 766 . 1 . 1 63 63 GLU H H 1 7.404 0.000 . . . . . . A 63 GLU H . 30968 1 767 . 1 . 1 63 63 GLU HA H 1 4.112 0.000 . . . . . . A 63 GLU HA . 30968 1 768 . 1 . 1 63 63 GLU HB2 H 1 2.044 0.000 . . . . . . A 63 GLU HB2 . 30968 1 769 . 1 . 1 63 63 GLU HB3 H 1 2.062 0.000 . . . . . . A 63 GLU HB3 . 30968 1 770 . 1 . 1 63 63 GLU HG2 H 1 2.475 0.000 . . . . . . A 63 GLU HG2 . 30968 1 771 . 1 . 1 63 63 GLU HG3 H 1 2.213 0.000 . . . . . . A 63 GLU HG3 . 30968 1 772 . 1 . 1 63 63 GLU C C 13 177.708 0.000 . . . . . . A 63 GLU C . 30968 1 773 . 1 . 1 63 63 GLU CA C 13 58.207 0.000 . . . . . . A 63 GLU CA . 30968 1 774 . 1 . 1 63 63 GLU CB C 13 30.186 0.000 . . . . . . A 63 GLU CB . 30968 1 775 . 1 . 1 63 63 GLU CG C 13 36.252 0.000 . . . . . . A 63 GLU CG . 30968 1 776 . 1 . 1 63 63 GLU N N 15 116.594 0.000 . . . . . . A 63 GLU N . 30968 1 777 . 1 . 1 64 64 VAL H H 1 7.608 0.000 . . . . . . A 64 VAL H . 30968 1 778 . 1 . 1 64 64 VAL HA H 1 4.298 0.000 . . . . . . A 64 VAL HA . 30968 1 779 . 1 . 1 64 64 VAL HB H 1 2.183 0.000 . . . . . . A 64 VAL HB . 30968 1 780 . 1 . 1 64 64 VAL HG11 H 1 0.949 0.000 . . . . . . A 64 VAL HG11 . 30968 1 781 . 1 . 1 64 64 VAL HG12 H 1 0.949 0.000 . . . . . . A 64 VAL HG12 . 30968 1 782 . 1 . 1 64 64 VAL HG13 H 1 0.949 0.000 . . . . . . A 64 VAL HG13 . 30968 1 783 . 1 . 1 64 64 VAL HG21 H 1 0.933 0.000 . . . . . . A 64 VAL HG21 . 30968 1 784 . 1 . 1 64 64 VAL HG22 H 1 0.933 0.000 . . . . . . A 64 VAL HG22 . 30968 1 785 . 1 . 1 64 64 VAL HG23 H 1 0.933 0.000 . . . . . . A 64 VAL HG23 . 30968 1 786 . 1 . 1 64 64 VAL C C 13 176.122 0.000 . . . . . . A 64 VAL C . 30968 1 787 . 1 . 1 64 64 VAL CA C 13 62.638 0.000 . . . . . . A 64 VAL CA . 30968 1 788 . 1 . 1 64 64 VAL CB C 13 32.694 0.000 . . . . . . A 64 VAL CB . 30968 1 789 . 1 . 1 64 64 VAL CG1 C 13 20.834 0.000 . . . . . . A 64 VAL CG1 . 30968 1 790 . 1 . 1 64 64 VAL CG2 C 13 21.421 0.000 . . . . . . A 64 VAL CG2 . 30968 1 791 . 1 . 1 64 64 VAL N N 15 113.754 0.000 . . . . . . A 64 VAL N . 30968 1 792 . 1 . 1 65 65 ASP H H 1 8.434 0.000 . . . . . . A 65 ASP H . 30968 1 793 . 1 . 1 65 65 ASP HA H 1 5.043 0.000 . . . . . . A 65 ASP HA . 30968 1 794 . 1 . 1 65 65 ASP HB2 H 1 2.849 0.000 . . . . . . A 65 ASP HB2 . 30968 1 795 . 1 . 1 65 65 ASP HB3 H 1 2.318 0.000 . . . . . . A 65 ASP HB3 . 30968 1 796 . 1 . 1 65 65 ASP C C 13 177.444 0.000 . . . . . . A 65 ASP C . 30968 1 797 . 1 . 1 65 65 ASP CA C 13 53.045 0.000 . . . . . . A 65 ASP CA . 30968 1 798 . 1 . 1 65 65 ASP CB C 13 40.064 0.000 . . . . . . A 65 ASP CB . 30968 1 799 . 1 . 1 65 65 ASP N N 15 122.341 0.000 . . . . . . A 65 ASP N . 30968 1 800 . 1 . 1 66 66 GLU H H 1 8.256 0.000 . . . . . . A 66 GLU H . 30968 1 801 . 1 . 1 66 66 GLU HA H 1 4.110 0.000 . . . . . . A 66 GLU HA . 30968 1 802 . 1 . 1 66 66 GLU HB2 H 1 2.053 0.000 . . . . . . A 66 GLU HB2 . 30968 1 803 . 1 . 1 66 66 GLU HB3 H 1 2.073 0.000 . . . . . . A 66 GLU HB3 . 30968 1 804 . 1 . 1 66 66 GLU HG2 H 1 2.254 0.000 . . . . . . A 66 GLU HG2 . 30968 1 805 . 1 . 1 66 66 GLU HG3 H 1 2.310 0.000 . . . . . . A 66 GLU HG3 . 30968 1 806 . 1 . 1 66 66 GLU C C 13 177.378 0.000 . . . . . . A 66 GLU C . 30968 1 807 . 1 . 1 66 66 GLU CA C 13 58.808 0.000 . . . . . . A 66 GLU CA . 30968 1 808 . 1 . 1 66 66 GLU CB C 13 29.995 0.000 . . . . . . A 66 GLU CB . 30968 1 809 . 1 . 1 66 66 GLU CG C 13 36.182 0.000 . . . . . . A 66 GLU CG . 30968 1 810 . 1 . 1 66 66 GLU N N 15 123.886 0.000 . . . . . . A 66 GLU N . 30968 1 811 . 1 . 1 67 67 ASP H H 1 8.494 0.000 . . . . . . A 67 ASP H . 30968 1 812 . 1 . 1 67 67 ASP HA H 1 4.669 0.000 . . . . . . A 67 ASP HA . 30968 1 813 . 1 . 1 67 67 ASP HB2 H 1 2.851 0.000 . . . . . . A 67 ASP HB2 . 30968 1 814 . 1 . 1 67 67 ASP HB3 H 1 2.697 0.000 . . . . . . A 67 ASP HB3 . 30968 1 815 . 1 . 1 67 67 ASP C C 13 177.330 0.000 . . . . . . A 67 ASP C . 30968 1 816 . 1 . 1 67 67 ASP CA C 13 53.447 0.000 . . . . . . A 67 ASP CA . 30968 1 817 . 1 . 1 67 67 ASP CB C 13 40.468 0.000 . . . . . . A 67 ASP CB . 30968 1 818 . 1 . 1 67 67 ASP N N 15 116.162 0.000 . . . . . . A 67 ASP N . 30968 1 819 . 1 . 1 68 68 GLY H H 1 7.960 0.000 . . . . . . A 68 GLY H . 30968 1 820 . 1 . 1 68 68 GLY HA2 H 1 3.898 0.000 . . . . . . A 68 GLY HA2 . 30968 1 821 . 1 . 1 68 68 GLY HA3 H 1 3.811 0.000 . . . . . . A 68 GLY HA3 . 30968 1 822 . 1 . 1 68 68 GLY C C 13 175.660 0.000 . . . . . . A 68 GLY C . 30968 1 823 . 1 . 1 68 68 GLY CA C 13 46.921 0.000 . . . . . . A 68 GLY CA . 30968 1 824 . 1 . 1 68 68 GLY N N 15 110.419 0.000 . . . . . . A 68 GLY N . 30968 1 825 . 1 . 1 69 69 SER H H 1 9.128 0.000 . . . . . . A 69 SER H . 30968 1 826 . 1 . 1 69 69 SER HA H 1 4.234 0.000 . . . . . . A 69 SER HA . 30968 1 827 . 1 . 1 69 69 SER HB2 H 1 4.017 0.000 . . . . . . A 69 SER HB2 . 30968 1 828 . 1 . 1 69 69 SER HB3 H 1 3.959 0.000 . . . . . . A 69 SER HB3 . 30968 1 829 . 1 . 1 69 69 SER C C 13 176.566 0.000 . . . . . . A 69 SER C . 30968 1 830 . 1 . 1 69 69 SER CA C 13 60.073 0.000 . . . . . . A 69 SER CA . 30968 1 831 . 1 . 1 69 69 SER CB C 13 63.941 0.000 . . . . . . A 69 SER CB . 30968 1 832 . 1 . 1 69 69 SER N N 15 118.916 0.000 . . . . . . A 69 SER N . 30968 1 833 . 1 . 1 70 70 GLY H H 1 10.347 0.000 . . . . . . A 70 GLY H . 30968 1 834 . 1 . 1 70 70 GLY HA2 H 1 4.134 0.000 . . . . . . A 70 GLY HA2 . 30968 1 835 . 1 . 1 70 70 GLY HA3 H 1 3.814 0.000 . . . . . . A 70 GLY HA3 . 30968 1 836 . 1 . 1 70 70 GLY C C 13 174.536 0.000 . . . . . . A 70 GLY C . 30968 1 837 . 1 . 1 70 70 GLY CA C 13 45.914 0.000 . . . . . . A 70 GLY CA . 30968 1 838 . 1 . 1 70 70 GLY N N 15 114.345 0.000 . . . . . . A 70 GLY N . 30968 1 839 . 1 . 1 71 71 THR H H 1 7.901 0.000 . . . . . . A 71 THR H . 30968 1 840 . 1 . 1 71 71 THR HA H 1 5.315 0.000 . . . . . . A 71 THR HA . 30968 1 841 . 1 . 1 71 71 THR HB H 1 3.967 0.000 . . . . . . A 71 THR HB . 30968 1 842 . 1 . 1 71 71 THR HG21 H 1 1.073 0.000 . . . . . . A 71 THR HG21 . 30968 1 843 . 1 . 1 71 71 THR HG22 H 1 1.073 0.000 . . . . . . A 71 THR HG22 . 30968 1 844 . 1 . 1 71 71 THR HG23 H 1 1.073 0.000 . . . . . . A 71 THR HG23 . 30968 1 845 . 1 . 1 71 71 THR C C 13 172.988 0.000 . . . . . . A 71 THR C . 30968 1 846 . 1 . 1 71 71 THR CA C 13 59.302 0.000 . . . . . . A 71 THR CA . 30968 1 847 . 1 . 1 71 71 THR CB C 13 72.714 0.000 . . . . . . A 71 THR CB . 30968 1 848 . 1 . 1 71 71 THR CG2 C 13 22.077 0.000 . . . . . . A 71 THR CG2 . 30968 1 849 . 1 . 1 71 71 THR N N 15 112.118 0.000 . . . . . . A 71 THR N . 30968 1 850 . 1 . 1 72 72 VAL H H 1 8.762 0.000 . . . . . . A 72 VAL H . 30968 1 851 . 1 . 1 72 72 VAL HA H 1 4.819 0.000 . . . . . . A 72 VAL HA . 30968 1 852 . 1 . 1 72 72 VAL HB H 1 2.244 0.000 . . . . . . A 72 VAL HB . 30968 1 853 . 1 . 1 72 72 VAL HG11 H 1 0.904 0.000 . . . . . . A 72 VAL HG11 . 30968 1 854 . 1 . 1 72 72 VAL HG12 H 1 0.904 0.000 . . . . . . A 72 VAL HG12 . 30968 1 855 . 1 . 1 72 72 VAL HG13 H 1 0.904 0.000 . . . . . . A 72 VAL HG13 . 30968 1 856 . 1 . 1 72 72 VAL HG21 H 1 1.003 0.000 . . . . . . A 72 VAL HG21 . 30968 1 857 . 1 . 1 72 72 VAL HG22 H 1 1.003 0.000 . . . . . . A 72 VAL HG22 . 30968 1 858 . 1 . 1 72 72 VAL HG23 H 1 1.003 0.000 . . . . . . A 72 VAL HG23 . 30968 1 859 . 1 . 1 72 72 VAL C C 13 174.716 0.000 . . . . . . A 72 VAL C . 30968 1 860 . 1 . 1 72 72 VAL CA C 13 60.007 0.000 . . . . . . A 72 VAL CA . 30968 1 861 . 1 . 1 72 72 VAL CB C 13 35.134 0.000 . . . . . . A 72 VAL CB . 30968 1 862 . 1 . 1 72 72 VAL CG1 C 13 20.465 0.000 . . . . . . A 72 VAL CG1 . 30968 1 863 . 1 . 1 72 72 VAL CG2 C 13 21.959 0.000 . . . . . . A 72 VAL CG2 . 30968 1 864 . 1 . 1 72 72 VAL N N 15 115.632 0.000 . . . . . . A 72 VAL N . 30968 1 865 . 1 . 1 73 73 ASP H H 1 8.790 0.000 . . . . . . A 73 ASP H . 30968 1 866 . 1 . 1 73 73 ASP HA H 1 4.790 0.000 . . . . . . A 73 ASP HA . 30968 1 867 . 1 . 1 73 73 ASP HB2 H 1 2.915 0.000 . . . . . . A 73 ASP HB2 . 30968 1 868 . 1 . 1 73 73 ASP HB3 H 1 2.770 0.000 . . . . . . A 73 ASP HB3 . 30968 1 869 . 1 . 1 73 73 ASP C C 13 176.410 0.000 . . . . . . A 73 ASP C . 30968 1 870 . 1 . 1 73 73 ASP CA C 13 52.000 0.000 . . . . . . A 73 ASP CA . 30968 1 871 . 1 . 1 73 73 ASP CB C 13 41.627 0.000 . . . . . . A 73 ASP CB . 30968 1 872 . 1 . 1 73 73 ASP N N 15 124.835 0.000 . . . . . . A 73 ASP N . 30968 1 873 . 1 . 1 74 74 PHE H H 1 8.664 0.000 . . . . . . A 74 PHE H . 30968 1 874 . 1 . 1 74 74 PHE HA H 1 3.482 0.000 . . . . . . A 74 PHE HA . 30968 1 875 . 1 . 1 74 74 PHE HB2 H 1 2.626 0.000 . . . . . . A 74 PHE HB2 . 30968 1 876 . 1 . 1 74 74 PHE HB3 H 1 2.480 0.000 . . . . . . A 74 PHE HB3 . 30968 1 877 . 1 . 1 74 74 PHE HD1 H 1 6.550 0.000 . . . . . . A 74 PHE HD1 . 30968 1 878 . 1 . 1 74 74 PHE HD2 H 1 6.550 0.000 . . . . . . A 74 PHE HD2 . 30968 1 879 . 1 . 1 74 74 PHE HE1 H 1 7.100 0.000 . . . . . . A 74 PHE HE1 . 30968 1 880 . 1 . 1 74 74 PHE HE2 H 1 7.100 0.000 . . . . . . A 74 PHE HE2 . 30968 1 881 . 1 . 1 74 74 PHE HZ H 1 7.430 0.000 . . . . . . A 74 PHE HZ . 30968 1 882 . 1 . 1 74 74 PHE C C 13 176.188 0.000 . . . . . . A 74 PHE C . 30968 1 883 . 1 . 1 74 74 PHE CA C 13 61.229 0.000 . . . . . . A 74 PHE CA . 30968 1 884 . 1 . 1 74 74 PHE CB C 13 38.645 0.000 . . . . . . A 74 PHE CB . 30968 1 885 . 1 . 1 74 74 PHE CD1 C 13 131.900 0.000 . . . . . . A 74 PHE CD1 . 30968 1 886 . 1 . 1 74 74 PHE CD2 C 13 131.900 0.000 . . . . . . A 74 PHE CD2 . 30968 1 887 . 1 . 1 74 74 PHE CE1 C 13 130.000 0.000 . . . . . . A 74 PHE CE1 . 30968 1 888 . 1 . 1 74 74 PHE CE2 C 13 130.000 0.000 . . . . . . A 74 PHE CE2 . 30968 1 889 . 1 . 1 74 74 PHE CZ C 13 130.000 0.000 . . . . . . A 74 PHE CZ . 30968 1 890 . 1 . 1 74 74 PHE N N 15 118.933 0.000 . . . . . . A 74 PHE N . 30968 1 891 . 1 . 1 75 75 ASP H H 1 7.793 0.000 . . . . . . A 75 ASP H . 30968 1 892 . 1 . 1 75 75 ASP HA H 1 4.036 0.000 . . . . . . A 75 ASP HA . 30968 1 893 . 1 . 1 75 75 ASP HB2 H 1 2.689 0.000 . . . . . . A 75 ASP HB2 . 30968 1 894 . 1 . 1 75 75 ASP HB3 H 1 2.524 0.000 . . . . . . A 75 ASP HB3 . 30968 1 895 . 1 . 1 75 75 ASP C C 13 179.511 0.000 . . . . . . A 75 ASP C . 30968 1 896 . 1 . 1 75 75 ASP CA C 13 58.032 0.000 . . . . . . A 75 ASP CA . 30968 1 897 . 1 . 1 75 75 ASP CB C 13 40.165 0.000 . . . . . . A 75 ASP CB . 30968 1 898 . 1 . 1 75 75 ASP N N 15 117.969 0.000 . . . . . . A 75 ASP N . 30968 1 899 . 1 . 1 76 76 GLU H H 1 8.343 0.000 . . . . . . A 76 GLU H . 30968 1 900 . 1 . 1 76 76 GLU HA H 1 3.902 0.000 . . . . . . A 76 GLU HA . 30968 1 901 . 1 . 1 76 76 GLU HB2 H 1 2.433 0.000 . . . . . . A 76 GLU HB2 . 30968 1 902 . 1 . 1 76 76 GLU HB3 H 1 1.756 0.000 . . . . . . A 76 GLU HB3 . 30968 1 903 . 1 . 1 76 76 GLU HG2 H 1 2.278 0.000 . . . . . . A 76 GLU HG2 . 30968 1 904 . 1 . 1 76 76 GLU HG3 H 1 2.323 0.000 . . . . . . A 76 GLU HG3 . 30968 1 905 . 1 . 1 76 76 GLU C C 13 178.765 0.000 . . . . . . A 76 GLU C . 30968 1 906 . 1 . 1 76 76 GLU CA C 13 58.641 0.000 . . . . . . A 76 GLU CA . 30968 1 907 . 1 . 1 76 76 GLU CB C 13 29.822 0.000 . . . . . . A 76 GLU CB . 30968 1 908 . 1 . 1 76 76 GLU CG C 13 36.303 0.000 . . . . . . A 76 GLU CG . 30968 1 909 . 1 . 1 76 76 GLU N N 15 120.701 0.000 . . . . . . A 76 GLU N . 30968 1 910 . 1 . 1 77 77 PHE H H 1 8.667 0.000 . . . . . . A 77 PHE H . 30968 1 911 . 1 . 1 77 77 PHE HA H 1 4.043 0.000 . . . . . . A 77 PHE HA . 30968 1 912 . 1 . 1 77 77 PHE HB2 H 1 3.195 0.000 . . . . . . A 77 PHE HB2 . 30968 1 913 . 1 . 1 77 77 PHE HB3 H 1 3.040 0.000 . . . . . . A 77 PHE HB3 . 30968 1 914 . 1 . 1 77 77 PHE HD1 H 1 6.950 0.000 . . . . . . A 77 PHE HD1 . 30968 1 915 . 1 . 1 77 77 PHE HD2 H 1 6.950 0.000 . . . . . . A 77 PHE HD2 . 30968 1 916 . 1 . 1 77 77 PHE HE1 H 1 7.100 0.000 . . . . . . A 77 PHE HE1 . 30968 1 917 . 1 . 1 77 77 PHE HE2 H 1 7.100 0.000 . . . . . . A 77 PHE HE2 . 30968 1 918 . 1 . 1 77 77 PHE HZ H 1 7.100 0.000 . . . . . . A 77 PHE HZ . 30968 1 919 . 1 . 1 77 77 PHE C C 13 176.585 0.000 . . . . . . A 77 PHE C . 30968 1 920 . 1 . 1 77 77 PHE CA C 13 60.992 0.000 . . . . . . A 77 PHE CA . 30968 1 921 . 1 . 1 77 77 PHE CB C 13 39.313 0.000 . . . . . . A 77 PHE CB . 30968 1 922 . 1 . 1 77 77 PHE CD1 C 13 131.500 0.000 . . . . . . A 77 PHE CD1 . 30968 1 923 . 1 . 1 77 77 PHE CD2 C 13 131.500 0.000 . . . . . . A 77 PHE CD2 . 30968 1 924 . 1 . 1 77 77 PHE CE1 C 13 130.050 0.000 . . . . . . A 77 PHE CE1 . 30968 1 925 . 1 . 1 77 77 PHE CE2 C 13 130.050 0.000 . . . . . . A 77 PHE CE2 . 30968 1 926 . 1 . 1 77 77 PHE CZ C 13 130.000 0.000 . . . . . . A 77 PHE CZ . 30968 1 927 . 1 . 1 77 77 PHE N N 15 121.912 0.000 . . . . . . A 77 PHE N . 30968 1 928 . 1 . 1 78 78 LEU H H 1 8.123 0.000 . . . . . . A 78 LEU H . 30968 1 929 . 1 . 1 78 78 LEU HA H 1 3.308 0.000 . . . . . . A 78 LEU HA . 30968 1 930 . 1 . 1 78 78 LEU HB2 H 1 1.756 0.000 . . . . . . A 78 LEU HB2 . 30968 1 931 . 1 . 1 78 78 LEU HB3 H 1 1.050 0.000 . . . . . . A 78 LEU HB3 . 30968 1 932 . 1 . 1 78 78 LEU HG H 1 0.978 0.000 . . . . . . A 78 LEU HG . 30968 1 933 . 1 . 1 78 78 LEU HD11 H 1 0.611 0.000 . . . . . . A 78 LEU HD11 . 30968 1 934 . 1 . 1 78 78 LEU HD12 H 1 0.611 0.000 . . . . . . A 78 LEU HD12 . 30968 1 935 . 1 . 1 78 78 LEU HD13 H 1 0.611 0.000 . . . . . . A 78 LEU HD13 . 30968 1 936 . 1 . 1 78 78 LEU HD21 H 1 0.625 0.000 . . . . . . A 78 LEU HD21 . 30968 1 937 . 1 . 1 78 78 LEU HD22 H 1 0.625 0.000 . . . . . . A 78 LEU HD22 . 30968 1 938 . 1 . 1 78 78 LEU HD23 H 1 0.625 0.000 . . . . . . A 78 LEU HD23 . 30968 1 939 . 1 . 1 78 78 LEU C C 13 178.425 0.000 . . . . . . A 78 LEU C . 30968 1 940 . 1 . 1 78 78 LEU CA C 13 57.884 0.000 . . . . . . A 78 LEU CA . 30968 1 941 . 1 . 1 78 78 LEU CB C 13 41.354 0.000 . . . . . . A 78 LEU CB . 30968 1 942 . 1 . 1 78 78 LEU CG C 13 25.091 0.000 . . . . . . A 78 LEU CG . 30968 1 943 . 1 . 1 78 78 LEU CD1 C 13 25.854 0.000 . . . . . . A 78 LEU CD1 . 30968 1 944 . 1 . 1 78 78 LEU CD2 C 13 23.886 0.000 . . . . . . A 78 LEU CD2 . 30968 1 945 . 1 . 1 78 78 LEU N N 15 118.916 0.000 . . . . . . A 78 LEU N . 30968 1 946 . 1 . 1 79 79 VAL H H 1 7.000 0.000 . . . . . . A 79 VAL H . 30968 1 947 . 1 . 1 79 79 VAL HA H 1 3.258 0.000 . . . . . . A 79 VAL HA . 30968 1 948 . 1 . 1 79 79 VAL HB H 1 2.192 0.000 . . . . . . A 79 VAL HB . 30968 1 949 . 1 . 1 79 79 VAL HG11 H 1 0.731 0.000 . . . . . . A 79 VAL HG11 . 30968 1 950 . 1 . 1 79 79 VAL HG12 H 1 0.731 0.000 . . . . . . A 79 VAL HG12 . 30968 1 951 . 1 . 1 79 79 VAL HG13 H 1 0.731 0.000 . . . . . . A 79 VAL HG13 . 30968 1 952 . 1 . 1 79 79 VAL HG21 H 1 0.988 0.000 . . . . . . A 79 VAL HG21 . 30968 1 953 . 1 . 1 79 79 VAL HG22 H 1 0.988 0.000 . . . . . . A 79 VAL HG22 . 30968 1 954 . 1 . 1 79 79 VAL HG23 H 1 0.988 0.000 . . . . . . A 79 VAL HG23 . 30968 1 955 . 1 . 1 79 79 VAL C C 13 177.604 0.000 . . . . . . A 79 VAL C . 30968 1 956 . 1 . 1 79 79 VAL CA C 13 66.423 0.000 . . . . . . A 79 VAL CA . 30968 1 957 . 1 . 1 79 79 VAL CB C 13 30.881 0.000 . . . . . . A 79 VAL CB . 30968 1 958 . 1 . 1 79 79 VAL CG1 C 13 21.496 0.000 . . . . . . A 79 VAL CG1 . 30968 1 959 . 1 . 1 79 79 VAL CG2 C 13 23.140 0.000 . . . . . . A 79 VAL CG2 . 30968 1 960 . 1 . 1 79 79 VAL N N 15 117.637 0.000 . . . . . . A 79 VAL N . 30968 1 961 . 1 . 1 80 80 MET H H 1 7.535 0.000 . . . . . . A 80 MET H . 30968 1 962 . 1 . 1 80 80 MET HA H 1 3.729 0.000 . . . . . . A 80 MET HA . 30968 1 963 . 1 . 1 80 80 MET HB2 H 1 1.966 0.000 . . . . . . A 80 MET HB2 . 30968 1 964 . 1 . 1 80 80 MET HB3 H 1 1.825 0.000 . . . . . . A 80 MET HB3 . 30968 1 965 . 1 . 1 80 80 MET HG2 H 1 2.675 0.000 . . . . . . A 80 MET HG2 . 30968 1 966 . 1 . 1 80 80 MET HG3 H 1 2.254 0.000 . . . . . . A 80 MET HG3 . 30968 1 967 . 1 . 1 80 80 MET HE1 H 1 1.881 0.000 . . . . . . A 80 MET HE1 . 30968 1 968 . 1 . 1 80 80 MET HE2 H 1 1.881 0.000 . . . . . . A 80 MET HE2 . 30968 1 969 . 1 . 1 80 80 MET HE3 H 1 1.881 0.000 . . . . . . A 80 MET HE3 . 30968 1 970 . 1 . 1 80 80 MET C C 13 178.057 0.000 . . . . . . A 80 MET C . 30968 1 971 . 1 . 1 80 80 MET CA C 13 59.224 0.000 . . . . . . A 80 MET CA . 30968 1 972 . 1 . 1 80 80 MET CB C 13 32.369 0.000 . . . . . . A 80 MET CB . 30968 1 973 . 1 . 1 80 80 MET CG C 13 32.918 0.000 . . . . . . A 80 MET CG . 30968 1 974 . 1 . 1 80 80 MET CE C 13 18.321 0.000 . . . . . . A 80 MET CE . 30968 1 975 . 1 . 1 80 80 MET N N 15 118.638 0.000 . . . . . . A 80 MET N . 30968 1 976 . 1 . 1 81 81 MET H H 1 8.055 0.000 . . . . . . A 81 MET H . 30968 1 977 . 1 . 1 81 81 MET HA H 1 3.982 0.000 . . . . . . A 81 MET HA . 30968 1 978 . 1 . 1 81 81 MET HB2 H 1 1.278 0.000 . . . . . . A 81 MET HB2 . 30968 1 979 . 1 . 1 81 81 MET HB3 H 1 1.567 0.000 . . . . . . A 81 MET HB3 . 30968 1 980 . 1 . 1 81 81 MET HG2 H 1 1.160 0.000 . . . . . . A 81 MET HG2 . 30968 1 981 . 1 . 1 81 81 MET HG3 H 1 1.274 0.000 . . . . . . A 81 MET HG3 . 30968 1 982 . 1 . 1 81 81 MET HE1 H 1 1.338 0.000 . . . . . . A 81 MET HE1 . 30968 1 983 . 1 . 1 81 81 MET HE2 H 1 1.338 0.000 . . . . . . A 81 MET HE2 . 30968 1 984 . 1 . 1 81 81 MET HE3 H 1 1.338 0.000 . . . . . . A 81 MET HE3 . 30968 1 985 . 1 . 1 81 81 MET C C 13 178.822 0.000 . . . . . . A 81 MET C . 30968 1 986 . 1 . 1 81 81 MET CA C 13 56.439 0.000 . . . . . . A 81 MET CA . 30968 1 987 . 1 . 1 81 81 MET CB C 13 30.062 0.000 . . . . . . A 81 MET CB . 30968 1 988 . 1 . 1 81 81 MET CG C 13 31.898 0.000 . . . . . . A 81 MET CG . 30968 1 989 . 1 . 1 81 81 MET CE C 13 16.994 0.000 . . . . . . A 81 MET CE . 30968 1 990 . 1 . 1 81 81 MET N N 15 117.451 0.000 . . . . . . A 81 MET N . 30968 1 991 . 1 . 1 82 82 VAL H H 1 7.987 0.000 . . . . . . A 82 VAL H . 30968 1 992 . 1 . 1 82 82 VAL HA H 1 3.791 0.000 . . . . . . A 82 VAL HA . 30968 1 993 . 1 . 1 82 82 VAL HB H 1 2.146 0.000 . . . . . . A 82 VAL HB . 30968 1 994 . 1 . 1 82 82 VAL HG11 H 1 0.941 0.000 . . . . . . A 82 VAL HG11 . 30968 1 995 . 1 . 1 82 82 VAL HG12 H 1 0.941 0.000 . . . . . . A 82 VAL HG12 . 30968 1 996 . 1 . 1 82 82 VAL HG13 H 1 0.941 0.000 . . . . . . A 82 VAL HG13 . 30968 1 997 . 1 . 1 82 82 VAL HG21 H 1 1.059 0.000 . . . . . . A 82 VAL HG21 . 30968 1 998 . 1 . 1 82 82 VAL HG22 H 1 1.059 0.000 . . . . . . A 82 VAL HG22 . 30968 1 999 . 1 . 1 82 82 VAL HG23 H 1 1.059 0.000 . . . . . . A 82 VAL HG23 . 30968 1 1000 . 1 . 1 82 82 VAL C C 13 178.595 0.000 . . . . . . A 82 VAL C . 30968 1 1001 . 1 . 1 82 82 VAL CA C 13 66.063 0.000 . . . . . . A 82 VAL CA . 30968 1 1002 . 1 . 1 82 82 VAL CB C 13 30.905 0.000 . . . . . . A 82 VAL CB . 30968 1 1003 . 1 . 1 82 82 VAL CG1 C 13 21.737 0.000 . . . . . . A 82 VAL CG1 . 30968 1 1004 . 1 . 1 82 82 VAL CG2 C 13 21.754 0.000 . . . . . . A 82 VAL CG2 . 30968 1 1005 . 1 . 1 82 82 VAL N N 15 116.741 0.000 . . . . . . A 82 VAL N . 30968 1 1006 . 1 . 1 83 83 ARG H H 1 7.808 0.000 . . . . . . A 83 ARG H . 30968 1 1007 . 1 . 1 83 83 ARG HA H 1 3.767 0.000 . . . . . . A 83 ARG HA . 30968 1 1008 . 1 . 1 83 83 ARG HB2 H 1 1.801 0.000 . . . . . . A 83 ARG HB2 . 30968 1 1009 . 1 . 1 83 83 ARG HB3 H 1 1.632 0.000 . . . . . . A 83 ARG HB3 . 30968 1 1010 . 1 . 1 83 83 ARG HG2 H 1 1.056 0.000 . . . . . . A 83 ARG HG2 . 30968 1 1011 . 1 . 1 83 83 ARG HG3 H 1 1.452 0.000 . . . . . . A 83 ARG HG3 . 30968 1 1012 . 1 . 1 83 83 ARG HD2 H 1 2.768 0.000 . . . . . . A 83 ARG HD2 . 30968 1 1013 . 1 . 1 83 83 ARG HD3 H 1 2.738 0.000 . . . . . . A 83 ARG HD3 . 30968 1 1014 . 1 . 1 83 83 ARG HE H 1 7.125 0.000 . . . . . . A 83 ARG HE . 30968 1 1015 . 1 . 1 83 83 ARG C C 13 178.548 0.000 . . . . . . A 83 ARG C . 30968 1 1016 . 1 . 1 83 83 ARG CA C 13 59.324 0.000 . . . . . . A 83 ARG CA . 30968 1 1017 . 1 . 1 83 83 ARG CB C 13 29.639 0.000 . . . . . . A 83 ARG CB . 30968 1 1018 . 1 . 1 83 83 ARG CG C 13 27.232 0.000 . . . . . . A 83 ARG CG . 30968 1 1019 . 1 . 1 83 83 ARG CD C 13 43.585 0.000 . . . . . . A 83 ARG CD . 30968 1 1020 . 1 . 1 83 83 ARG N N 15 120.733 0.000 . . . . . . A 83 ARG N . 30968 1 1021 . 1 . 1 83 83 ARG NE N 15 84.44 0.000 . . . . . . A 83 ARG NE . 30968 1 1022 . 1 . 1 84 84 CYS H H 1 7.811 0.000 . . . . . . A 84 CYS H . 30968 1 1023 . 1 . 1 84 84 CYS HA H 1 4.202 0.000 . . . . . . A 84 CYS HA . 30968 1 1024 . 1 . 1 84 84 CYS HB2 H 1 2.870 0.000 . . . . . . A 84 CYS HB2 . 30968 1 1025 . 1 . 1 84 84 CYS HB3 H 1 2.927 0.000 . . . . . . A 84 CYS HB3 . 30968 1 1026 . 1 . 1 84 84 CYS C C 13 175.905 0.000 . . . . . . A 84 CYS C . 30968 1 1027 . 1 . 1 84 84 CYS CA C 13 61.955 0.000 . . . . . . A 84 CYS CA . 30968 1 1028 . 1 . 1 84 84 CYS CB C 13 27.257 0.000 . . . . . . A 84 CYS CB . 30968 1 1029 . 1 . 1 84 84 CYS N N 15 116.689 0.000 . . . . . . A 84 CYS N . 30968 1 1030 . 1 . 1 85 85 MET H H 1 7.796 0.000 . . . . . . A 85 MET H . 30968 1 1031 . 1 . 1 85 85 MET HA H 1 4.178 0.000 . . . . . . A 85 MET HA . 30968 1 1032 . 1 . 1 85 85 MET HB2 H 1 2.177 0.000 . . . . . . A 85 MET HB2 . 30968 1 1033 . 1 . 1 85 85 MET HB3 H 1 2.040 0.000 . . . . . . A 85 MET HB3 . 30968 1 1034 . 1 . 1 85 85 MET HG2 H 1 2.730 0.000 . . . . . . A 85 MET HG2 . 30968 1 1035 . 1 . 1 85 85 MET HG3 H 1 2.477 0.000 . . . . . . A 85 MET HG3 . 30968 1 1036 . 1 . 1 85 85 MET HE1 H 1 2.070 0.000 . . . . . . A 85 MET HE1 . 30968 1 1037 . 1 . 1 85 85 MET HE2 H 1 2.070 0.000 . . . . . . A 85 MET HE2 . 30968 1 1038 . 1 . 1 85 85 MET HE3 H 1 2.070 0.000 . . . . . . A 85 MET HE3 . 30968 1 1039 . 1 . 1 85 85 MET C C 13 176.471 0.000 . . . . . . A 85 MET C . 30968 1 1040 . 1 . 1 85 85 MET CA C 13 57.189 0.000 . . . . . . A 85 MET CA . 30968 1 1041 . 1 . 1 85 85 MET CB C 13 33.759 0.000 . . . . . . A 85 MET CB . 30968 1 1042 . 1 . 1 85 85 MET CG C 13 31.989 0.000 . . . . . . A 85 MET CG . 30968 1 1043 . 1 . 1 85 85 MET CE C 13 16.726 0.000 . . . . . . A 85 MET CE . 30968 1 1044 . 1 . 1 85 85 MET N N 15 118.389 0.000 . . . . . . A 85 MET N . 30968 1 1045 . 1 . 1 86 86 LYS H H 1 7.764 0.000 . . . . . . A 86 LYS H . 30968 1 1046 . 1 . 1 86 86 LYS HA H 1 4.241 0.000 . . . . . . A 86 LYS HA . 30968 1 1047 . 1 . 1 86 86 LYS HB2 H 1 1.741 0.000 . . . . . . A 86 LYS HB2 . 30968 1 1048 . 1 . 1 86 86 LYS HB3 H 1 1.856 0.000 . . . . . . A 86 LYS HB3 . 30968 1 1049 . 1 . 1 86 86 LYS HG2 H 1 1.370 0.000 . . . . . . A 86 LYS HG2 . 30968 1 1050 . 1 . 1 86 86 LYS HG3 H 1 1.439 0.000 . . . . . . A 86 LYS HG3 . 30968 1 1051 . 1 . 1 86 86 LYS HD2 H 1 1.714 0.000 . . . . . . A 86 LYS HD2 . 30968 1 1052 . 1 . 1 86 86 LYS HD3 H 1 1.667 0.000 . . . . . . A 86 LYS HD3 . 30968 1 1053 . 1 . 1 86 86 LYS HE2 H 1 2.963 0.000 . . . . . . A 86 LYS HE2 . 30968 1 1054 . 1 . 1 86 86 LYS HE3 H 1 2.930 0.000 . . . . . . A 86 LYS HE3 . 30968 1 1055 . 1 . 1 86 86 LYS C C 13 176.358 0.000 . . . . . . A 86 LYS C . 30968 1 1056 . 1 . 1 86 86 LYS CA C 13 56.639 0.054 . . . . . . A 86 LYS CA . 30968 1 1057 . 1 . 1 86 86 LYS CB C 13 32.728 0.039 . . . . . . A 86 LYS CB . 30968 1 1058 . 1 . 1 86 86 LYS CG C 13 24.541 0.000 . . . . . . A 86 LYS CG . 30968 1 1059 . 1 . 1 86 86 LYS CD C 13 28.916 0.000 . . . . . . A 86 LYS CD . 30968 1 1060 . 1 . 1 86 86 LYS CE C 13 42.005 0.000 . . . . . . A 86 LYS CE . 30968 1 1061 . 1 . 1 86 86 LYS N N 15 119.908 0.000 . . . . . . A 86 LYS N . 30968 1 1062 . 1 . 1 87 87 ASP H H 1 8.227 0.001 . . . . . . A 87 ASP H . 30968 1 1063 . 1 . 1 87 87 ASP HA H 1 4.654 0.000 . . . . . . A 87 ASP HA . 30968 1 1064 . 1 . 1 87 87 ASP HB2 H 1 2.784 0.000 . . . . . . A 87 ASP HB2 . 30968 1 1065 . 1 . 1 87 87 ASP HB3 H 1 2.642 0.000 . . . . . . A 87 ASP HB3 . 30968 1 1066 . 1 . 1 87 87 ASP C C 13 176.207 0.000 . . . . . . A 87 ASP C . 30968 1 1067 . 1 . 1 87 87 ASP CA C 13 54.261 0.000 . . . . . . A 87 ASP CA . 30968 1 1068 . 1 . 1 87 87 ASP CB C 13 41.057 0.000 . . . . . . A 87 ASP CB . 30968 1 1069 . 1 . 1 87 87 ASP N N 15 121.422 0.000 . . . . . . A 87 ASP N . 30968 1 1070 . 1 . 1 88 88 ASP H H 1 8.388 0.000 . . . . . . A 88 ASP H . 30968 1 1071 . 1 . 1 88 88 ASP HA H 1 4.627 0.000 . . . . . . A 88 ASP HA . 30968 1 1072 . 1 . 1 88 88 ASP HB2 H 1 2.740 0.000 . . . . . . A 88 ASP HB2 . 30968 1 1073 . 1 . 1 88 88 ASP HB3 H 1 2.640 0.000 . . . . . . A 88 ASP HB3 . 30968 1 1074 . 1 . 1 88 88 ASP C C 13 176.953 0.000 . . . . . . A 88 ASP C . 30968 1 1075 . 1 . 1 88 88 ASP CA C 13 54.559 0.000 . . . . . . A 88 ASP CA . 30968 1 1076 . 1 . 1 88 88 ASP CB C 13 40.908 0.000 . . . . . . A 88 ASP CB . 30968 1 1077 . 1 . 1 88 88 ASP N N 15 122.780 0.000 . . . . . . A 88 ASP N . 30968 1 1078 . 1 . 1 89 89 SER H H 1 8.420 0.000 . . . . . . A 89 SER H . 30968 1 1079 . 1 . 1 89 89 SER HA H 1 4.344 0.000 . . . . . . A 89 SER HA . 30968 1 1080 . 1 . 1 89 89 SER HB2 H 1 3.973 0.000 . . . . . . A 89 SER HB2 . 30968 1 1081 . 1 . 1 89 89 SER HB3 H 1 3.870 0.000 . . . . . . A 89 SER HB3 . 30968 1 1082 . 1 . 1 89 89 SER C C 13 175.169 0.000 . . . . . . A 89 SER C . 30968 1 1083 . 1 . 1 89 89 SER CA C 13 59.586 0.000 . . . . . . A 89 SER CA . 30968 1 1084 . 1 . 1 89 89 SER CB C 13 63.543 0.000 . . . . . . A 89 SER CB . 30968 1 1085 . 1 . 1 89 89 SER N N 15 116.572 0.000 . . . . . . A 89 SER N . 30968 1 1086 . 1 . 1 90 90 LYS H H 1 8.179 0.000 . . . . . . A 90 LYS H . 30968 1 1087 . 1 . 1 90 90 LYS HA H 1 4.323 0.000 . . . . . . A 90 LYS HA . 30968 1 1088 . 1 . 1 90 90 LYS HB2 H 1 1.790 0.000 . . . . . . A 90 LYS HB2 . 30968 1 1089 . 1 . 1 90 90 LYS HB3 H 1 1.856 0.000 . . . . . . A 90 LYS HB3 . 30968 1 1090 . 1 . 1 90 90 LYS HG2 H 1 1.379 0.000 . . . . . . A 90 LYS HG2 . 30968 1 1091 . 1 . 1 90 90 LYS HG3 H 1 1.456 0.000 . . . . . . A 90 LYS HG3 . 30968 1 1092 . 1 . 1 90 90 LYS HD2 H 1 1.672 0.000 . . . . . . A 90 LYS HD2 . 30968 1 1093 . 1 . 1 90 90 LYS HD3 H 1 1.610 0.000 . . . . . . A 90 LYS HD3 . 30968 1 1094 . 1 . 1 90 90 LYS HE2 H 1 3.003 0.000 . . . . . . A 90 LYS HE2 . 30968 1 1095 . 1 . 1 90 90 LYS HE3 H 1 2.963 0.000 . . . . . . A 90 LYS HE3 . 30968 1 1096 . 1 . 1 90 90 LYS C C 13 177.151 0.000 . . . . . . A 90 LYS C . 30968 1 1097 . 1 . 1 90 90 LYS CA C 13 56.495 0.000 . . . . . . A 90 LYS CA . 30968 1 1098 . 1 . 1 90 90 LYS CB C 13 32.270 0.000 . . . . . . A 90 LYS CB . 30968 1 1099 . 1 . 1 90 90 LYS CG C 13 24.509 0.000 . . . . . . A 90 LYS CG . 30968 1 1100 . 1 . 1 90 90 LYS CD C 13 28.780 0.000 . . . . . . A 90 LYS CD . 30968 1 1101 . 1 . 1 90 90 LYS CE C 13 42.130 0.000 . . . . . . A 90 LYS CE . 30968 1 1102 . 1 . 1 90 90 LYS N N 15 121.963 0.000 . . . . . . A 90 LYS N . 30968 1 1103 . 1 . 1 91 91 GLY H H 1 8.231 0.000 . . . . . . A 91 GLY H . 30968 1 1104 . 1 . 1 91 91 GLY HA2 H 1 3.916 0.000 . . . . . . A 91 GLY HA2 . 30968 1 1105 . 1 . 1 91 91 GLY HA3 H 1 3.976 0.000 . . . . . . A 91 GLY HA3 . 30968 1 1106 . 1 . 1 91 91 GLY C C 13 174.040 0.000 . . . . . . A 91 GLY C . 30968 1 1107 . 1 . 1 91 91 GLY CA C 13 45.263 0.000 . . . . . . A 91 GLY CA . 30968 1 1108 . 1 . 1 91 91 GLY N N 15 109.130 0.000 . . . . . . A 91 GLY N . 30968 1 1109 . 1 . 1 92 92 ALA H H 1 8.145 0.000 . . . . . . A 92 ALA H . 30968 1 1110 . 1 . 1 92 92 ALA HA H 1 4.315 0.000 . . . . . . A 92 ALA HA . 30968 1 1111 . 1 . 1 92 92 ALA HB1 H 1 1.391 0.000 . . . . . . A 92 ALA HB1 . 30968 1 1112 . 1 . 1 92 92 ALA HB2 H 1 1.391 0.000 . . . . . . A 92 ALA HB2 . 30968 1 1113 . 1 . 1 92 92 ALA HB3 H 1 1.391 0.000 . . . . . . A 92 ALA HB3 . 30968 1 1114 . 1 . 1 92 92 ALA C C 13 178.350 0.000 . . . . . . A 92 ALA C . 30968 1 1115 . 1 . 1 92 92 ALA CA C 13 52.705 0.000 . . . . . . A 92 ALA CA . 30968 1 1116 . 1 . 1 92 92 ALA CB C 13 19.066 0.000 . . . . . . A 92 ALA CB . 30968 1 1117 . 1 . 1 92 92 ALA N N 15 123.677 0.000 . . . . . . A 92 ALA N . 30968 1 1118 . 1 . 1 93 93 GLY H H 1 8.463 0.000 . . . . . . A 93 GLY H . 30968 1 1119 . 1 . 1 93 93 GLY HA2 H 1 3.962 0.000 . . . . . . A 93 GLY HA2 . 30968 1 1120 . 1 . 1 93 93 GLY HA3 H 1 3.919 0.000 . . . . . . A 93 GLY HA3 . 30968 1 1121 . 1 . 1 93 93 GLY C C 13 174.040 0.000 . . . . . . A 93 GLY C . 30968 1 1122 . 1 . 1 93 93 GLY CA C 13 45.301 0.000 . . . . . . A 93 GLY CA . 30968 1 1123 . 1 . 1 93 93 GLY N N 15 108.368 0.000 . . . . . . A 93 GLY N . 30968 1 1124 . 1 . 1 94 94 ALA H H 1 8.261 0.000 . . . . . . A 94 ALA H . 30968 1 1125 . 1 . 1 94 94 ALA HA H 1 4.306 0.000 . . . . . . A 94 ALA HA . 30968 1 1126 . 1 . 1 94 94 ALA HB1 H 1 1.386 0.000 . . . . . . A 94 ALA HB1 . 30968 1 1127 . 1 . 1 94 94 ALA HB2 H 1 1.386 0.000 . . . . . . A 94 ALA HB2 . 30968 1 1128 . 1 . 1 94 94 ALA HB3 H 1 1.386 0.000 . . . . . . A 94 ALA HB3 . 30968 1 1129 . 1 . 1 94 94 ALA C C 13 178.189 0.000 . . . . . . A 94 ALA C . 30968 1 1130 . 1 . 1 94 94 ALA CA C 13 52.698 0.000 . . . . . . A 94 ALA CA . 30968 1 1131 . 1 . 1 94 94 ALA CB C 13 19.091 0.000 . . . . . . A 94 ALA CB . 30968 1 1132 . 1 . 1 94 94 ALA N N 15 124.106 0.000 . . . . . . A 94 ALA N . 30968 1 1133 . 1 . 1 95 95 GLY H H 1 8.393 0.000 . . . . . . A 95 GLY H . 30968 1 1134 . 1 . 1 95 95 GLY HA2 H 1 3.924 0.000 . . . . . . A 95 GLY HA2 . 30968 1 1135 . 1 . 1 95 95 GLY HA3 H 1 3.954 0.000 . . . . . . A 95 GLY HA3 . 30968 1 1136 . 1 . 1 95 95 GLY C C 13 173.951 0.000 . . . . . . A 95 GLY C . 30968 1 1137 . 1 . 1 95 95 GLY CA C 13 45.226 0.000 . . . . . . A 95 GLY CA . 30968 1 1138 . 1 . 1 95 95 GLY N N 15 108.075 0.000 . . . . . . A 95 GLY N . 30968 1 1139 . 1 . 1 96 96 VAL H H 1 7.946 0.000 . . . . . . A 96 VAL H . 30968 1 1140 . 1 . 1 96 96 VAL HA H 1 4.080 0.000 . . . . . . A 96 VAL HA . 30968 1 1141 . 1 . 1 96 96 VAL HB H 1 2.034 0.000 . . . . . . A 96 VAL HB . 30968 1 1142 . 1 . 1 96 96 VAL HG11 H 1 0.888 0.000 . . . . . . A 96 VAL HG11 . 30968 1 1143 . 1 . 1 96 96 VAL HG12 H 1 0.888 0.000 . . . . . . A 96 VAL HG12 . 30968 1 1144 . 1 . 1 96 96 VAL HG13 H 1 0.888 0.000 . . . . . . A 96 VAL HG13 . 30968 1 1145 . 1 . 1 96 96 VAL HG21 H 1 0.898 0.000 . . . . . . A 96 VAL HG21 . 30968 1 1146 . 1 . 1 96 96 VAL HG22 H 1 0.898 0.000 . . . . . . A 96 VAL HG22 . 30968 1 1147 . 1 . 1 96 96 VAL HG23 H 1 0.898 0.000 . . . . . . A 96 VAL HG23 . 30968 1 1148 . 1 . 1 96 96 VAL C C 13 175.848 0.000 . . . . . . A 96 VAL C . 30968 1 1149 . 1 . 1 96 96 VAL CA C 13 62.413 0.000 . . . . . . A 96 VAL CA . 30968 1 1150 . 1 . 1 96 96 VAL CB C 13 32.394 0.000 . . . . . . A 96 VAL CB . 30968 1 1151 . 1 . 1 96 96 VAL CG1 C 13 21.151 0.000 . . . . . . A 96 VAL CG1 . 30968 1 1152 . 1 . 1 96 96 VAL CG2 C 13 20.701 0.000 . . . . . . A 96 VAL CG2 . 30968 1 1153 . 1 . 1 96 96 VAL N N 15 119.717 0.000 . . . . . . A 96 VAL N . 30968 1 1154 . 1 . 1 97 97 ARG H H 1 8.386 0.000 . . . . . . A 97 ARG H . 30968 1 1155 . 1 . 1 97 97 ARG HA H 1 4.407 0.000 . . . . . . A 97 ARG HA . 30968 1 1156 . 1 . 1 97 97 ARG HB2 H 1 1.751 0.000 . . . . . . A 97 ARG HB2 . 30968 1 1157 . 1 . 1 97 97 ARG HB3 H 1 1.822 0.000 . . . . . . A 97 ARG HB3 . 30968 1 1158 . 1 . 1 97 97 ARG HG2 H 1 1.578 0.000 . . . . . . A 97 ARG HG2 . 30968 1 1159 . 1 . 1 97 97 ARG HG3 H 1 1.634 0.000 . . . . . . A 97 ARG HG3 . 30968 1 1160 . 1 . 1 97 97 ARG HD2 H 1 3.220 0.000 . . . . . . A 97 ARG HD2 . 30968 1 1161 . 1 . 1 97 97 ARG HD3 H 1 3.162 0.000 . . . . . . A 97 ARG HD3 . 30968 1 1162 . 1 . 1 97 97 ARG C C 13 175.943 0.000 . . . . . . A 97 ARG C . 30968 1 1163 . 1 . 1 97 97 ARG CA C 13 55.827 0.000 . . . . . . A 97 ARG CA . 30968 1 1164 . 1 . 1 97 97 ARG CB C 13 30.806 0.000 . . . . . . A 97 ARG CB . 30968 1 1165 . 1 . 1 97 97 ARG CG C 13 27.027 0.000 . . . . . . A 97 ARG CG . 30968 1 1166 . 1 . 1 97 97 ARG CD C 13 43.288 0.000 . . . . . . A 97 ARG CD . 30968 1 1167 . 1 . 1 97 97 ARG N N 15 125.069 0.000 . . . . . . A 97 ARG N . 30968 1 1168 . 1 . 1 98 98 ILE H H 1 8.238 0.000 . . . . . . A 98 ILE H . 30968 1 1169 . 1 . 1 98 98 ILE HA H 1 4.190 0.000 . . . . . . A 98 ILE HA . 30968 1 1170 . 1 . 1 98 98 ILE HB H 1 1.834 0.000 . . . . . . A 98 ILE HB . 30968 1 1171 . 1 . 1 98 98 ILE HG12 H 1 1.168 0.000 . . . . . . A 98 ILE HG12 . 30968 1 1172 . 1 . 1 98 98 ILE HG13 H 1 1.484 0.000 . . . . . . A 98 ILE HG13 . 30968 1 1173 . 1 . 1 98 98 ILE HG21 H 1 0.906 0.000 . . . . . . A 98 ILE HG21 . 30968 1 1174 . 1 . 1 98 98 ILE HG22 H 1 0.906 0.000 . . . . . . A 98 ILE HG22 . 30968 1 1175 . 1 . 1 98 98 ILE HG23 H 1 0.906 0.000 . . . . . . A 98 ILE HG23 . 30968 1 1176 . 1 . 1 98 98 ILE HD11 H 1 0.821 0.000 . . . . . . A 98 ILE HD11 . 30968 1 1177 . 1 . 1 98 98 ILE HD12 H 1 0.821 0.000 . . . . . . A 98 ILE HD12 . 30968 1 1178 . 1 . 1 98 98 ILE HD13 H 1 0.821 0.000 . . . . . . A 98 ILE HD13 . 30968 1 1179 . 1 . 1 98 98 ILE C C 13 175.773 0.000 . . . . . . A 98 ILE C . 30968 1 1180 . 1 . 1 98 98 ILE CA C 13 60.962 0.000 . . . . . . A 98 ILE CA . 30968 1 1181 . 1 . 1 98 98 ILE CB C 13 38.773 0.000 . . . . . . A 98 ILE CB . 30968 1 1182 . 1 . 1 98 98 ILE CG1 C 13 27.339 0.000 . . . . . . A 98 ILE CG1 . 30968 1 1183 . 1 . 1 98 98 ILE CG2 C 13 17.516 0.000 . . . . . . A 98 ILE CG2 . 30968 1 1184 . 1 . 1 98 98 ILE CD1 C 13 13.009 0.000 . . . . . . A 98 ILE CD1 . 30968 1 1185 . 1 . 1 98 98 ILE N N 15 122.373 0.000 . . . . . . A 98 ILE N . 30968 1 1186 . 1 . 1 99 99 SER H H 1 8.350 0.000 . . . . . . A 99 SER H . 30968 1 1187 . 1 . 1 99 99 SER HA H 1 4.472 0.000 . . . . . . A 99 SER HA . 30968 1 1188 . 1 . 1 99 99 SER HB2 H 1 4.067 0.000 . . . . . . A 99 SER HB2 . 30968 1 1189 . 1 . 1 99 99 SER HB3 H 1 3.920 0.000 . . . . . . A 99 SER HB3 . 30968 1 1190 . 1 . 1 99 99 SER C C 13 174.669 0.000 . . . . . . A 99 SER C . 30968 1 1191 . 1 . 1 99 99 SER CA C 13 57.873 0.000 . . . . . . A 99 SER CA . 30968 1 1192 . 1 . 1 99 99 SER CB C 13 64.173 0.000 . . . . . . A 99 SER CB . 30968 1 1193 . 1 . 1 99 99 SER N N 15 120.264 0.000 . . . . . . A 99 SER N . 30968 1 1194 . 1 . 1 100 100 ALA H H 1 8.698 0.000 . . . . . . A 100 ALA H . 30968 1 1195 . 1 . 1 100 100 ALA HA H 1 4.176 0.000 . . . . . . A 100 ALA HA . 30968 1 1196 . 1 . 1 100 100 ALA HB1 H 1 1.436 0.000 . . . . . . A 100 ALA HB1 . 30968 1 1197 . 1 . 1 100 100 ALA HB2 H 1 1.436 0.000 . . . . . . A 100 ALA HB2 . 30968 1 1198 . 1 . 1 100 100 ALA HB3 H 1 1.436 0.000 . . . . . . A 100 ALA HB3 . 30968 1 1199 . 1 . 1 100 100 ALA C C 13 178.841 0.000 . . . . . . A 100 ALA C . 30968 1 1200 . 1 . 1 100 100 ALA CA C 13 54.332 0.000 . . . . . . A 100 ALA CA . 30968 1 1201 . 1 . 1 100 100 ALA CB C 13 18.474 0.000 . . . . . . A 100 ALA CB . 30968 1 1202 . 1 . 1 100 100 ALA N N 15 126.749 0.000 . . . . . . A 100 ALA N . 30968 1 1203 . 1 . 1 101 101 ASP H H 1 8.313 0.000 . . . . . . A 101 ASP H . 30968 1 1204 . 1 . 1 101 101 ASP HA H 1 4.422 0.000 . . . . . . A 101 ASP HA . 30968 1 1205 . 1 . 1 101 101 ASP HB2 H 1 2.895 0.000 . . . . . . A 101 ASP HB2 . 30968 1 1206 . 1 . 1 101 101 ASP HB3 H 1 2.727 0.000 . . . . . . A 101 ASP HB3 . 30968 1 1207 . 1 . 1 101 101 ASP C C 13 177.500 0.000 . . . . . . A 101 ASP C . 30968 1 1208 . 1 . 1 101 101 ASP CA C 13 56.159 0.000 . . . . . . A 101 ASP CA . 30968 1 1209 . 1 . 1 101 101 ASP CB C 13 40.784 0.000 . . . . . . A 101 ASP CB . 30968 1 1210 . 1 . 1 101 101 ASP N N 15 118.037 0.000 . . . . . . A 101 ASP N . 30968 1 1211 . 1 . 1 102 102 ALA H H 1 8.023 0.000 . . . . . . A 102 ALA H . 30968 1 1212 . 1 . 1 102 102 ALA HA H 1 4.152 0.000 . . . . . . A 102 ALA HA . 30968 1 1213 . 1 . 1 102 102 ALA HB1 H 1 1.478 0.000 . . . . . . A 102 ALA HB1 . 30968 1 1214 . 1 . 1 102 102 ALA HB2 H 1 1.478 0.000 . . . . . . A 102 ALA HB2 . 30968 1 1215 . 1 . 1 102 102 ALA HB3 H 1 1.478 0.000 . . . . . . A 102 ALA HB3 . 30968 1 1216 . 1 . 1 102 102 ALA C C 13 180.219 0.000 . . . . . . A 102 ALA C . 30968 1 1217 . 1 . 1 102 102 ALA CA C 13 54.461 0.000 . . . . . . A 102 ALA CA . 30968 1 1218 . 1 . 1 102 102 ALA CB C 13 18.321 0.000 . . . . . . A 102 ALA CB . 30968 1 1219 . 1 . 1 102 102 ALA N N 15 123.600 0.000 . . . . . . A 102 ALA N . 30968 1 1220 . 1 . 1 103 103 MET H H 1 8.225 0.000 . . . . . . A 103 MET H . 30968 1 1221 . 1 . 1 103 103 MET HA H 1 4.131 0.000 . . . . . . A 103 MET HA . 30968 1 1222 . 1 . 1 103 103 MET HB2 H 1 1.512 0.000 . . . . . . A 103 MET HB2 . 30968 1 1223 . 1 . 1 103 103 MET HB3 H 1 1.445 0.000 . . . . . . A 103 MET HB3 . 30968 1 1224 . 1 . 1 103 103 MET HG2 H 1 2.623 0.000 . . . . . . A 103 MET HG2 . 30968 1 1225 . 1 . 1 103 103 MET HG3 H 1 2.533 0.000 . . . . . . A 103 MET HG3 . 30968 1 1226 . 1 . 1 103 103 MET HE1 H 1 2.050 0.000 . . . . . . A 103 MET HE1 . 30968 1 1227 . 1 . 1 103 103 MET HE2 H 1 2.050 0.000 . . . . . . A 103 MET HE2 . 30968 1 1228 . 1 . 1 103 103 MET HE3 H 1 2.050 0.000 . . . . . . A 103 MET HE3 . 30968 1 1229 . 1 . 1 103 103 MET C C 13 180.238 0.000 . . . . . . A 103 MET C . 30968 1 1230 . 1 . 1 103 103 MET CA C 13 57.917 0.000 . . . . . . A 103 MET CA . 30968 1 1231 . 1 . 1 103 103 MET CB C 13 32.160 0.000 . . . . . . A 103 MET CB . 30968 1 1232 . 1 . 1 103 103 MET CG C 13 32.161 0.000 . . . . . . A 103 MET CG . 30968 1 1233 . 1 . 1 103 103 MET CE C 13 17.194 0.000 . . . . . . A 103 MET CE . 30968 1 1234 . 1 . 1 103 103 MET N N 15 118.916 0.000 . . . . . . A 103 MET N . 30968 1 1235 . 1 . 1 104 104 MET H H 1 8.224 0.000 . . . . . . A 104 MET H . 30968 1 1236 . 1 . 1 104 104 MET HA H 1 4.303 0.000 . . . . . . A 104 MET HA . 30968 1 1237 . 1 . 1 104 104 MET HB2 H 1 2.201 0.000 . . . . . . A 104 MET HB2 . 30968 1 1238 . 1 . 1 104 104 MET HB3 H 1 2.122 0.000 . . . . . . A 104 MET HB3 . 30968 1 1239 . 1 . 1 104 104 MET HG2 H 1 2.659 0.000 . . . . . . A 104 MET HG2 . 30968 1 1240 . 1 . 1 104 104 MET HG3 H 1 2.608 0.000 . . . . . . A 104 MET HG3 . 30968 1 1241 . 1 . 1 104 104 MET HE1 H 1 2.026 0.000 . . . . . . A 104 MET HE1 . 30968 1 1242 . 1 . 1 104 104 MET HE2 H 1 2.026 0.000 . . . . . . A 104 MET HE2 . 30968 1 1243 . 1 . 1 104 104 MET HE3 H 1 2.026 0.000 . . . . . . A 104 MET HE3 . 30968 1 1244 . 1 . 1 104 104 MET C C 13 178.161 0.000 . . . . . . A 104 MET C . 30968 1 1245 . 1 . 1 104 104 MET CA C 13 57.438 0.000 . . . . . . A 104 MET CA . 30968 1 1246 . 1 . 1 104 104 MET CB C 13 31.811 0.000 . . . . . . A 104 MET CB . 30968 1 1247 . 1 . 1 104 104 MET CG C 13 32.112 0.000 . . . . . . A 104 MET CG . 30968 1 1248 . 1 . 1 104 104 MET CE C 13 17.020 0.000 . . . . . . A 104 MET CE . 30968 1 1249 . 1 . 1 104 104 MET N N 15 119.096 0.000 . . . . . . A 104 MET N . 30968 1 1250 . 1 . 1 105 105 GLN H H 1 8.188 0.000 . . . . . . A 105 GLN H . 30968 1 1251 . 1 . 1 105 105 GLN HA H 1 4.037 0.000 . . . . . . A 105 GLN HA . 30968 1 1252 . 1 . 1 105 105 GLN HB2 H 1 1.992 0.000 . . . . . . A 105 GLN HB2 . 30968 1 1253 . 1 . 1 105 105 GLN HB3 H 1 2.103 0.000 . . . . . . A 105 GLN HB3 . 30968 1 1254 . 1 . 1 105 105 GLN HG2 H 1 2.399 0.000 . . . . . . A 105 GLN HG2 . 30968 1 1255 . 1 . 1 105 105 GLN HG3 H 1 2.456 0.000 . . . . . . A 105 GLN HG3 . 30968 1 1256 . 1 . 1 105 105 GLN HE21 H 1 8.012 0.000 . . . . . . A 105 GLN HE21 . 30968 1 1257 . 1 . 1 105 105 GLN HE22 H 1 6.826 0.000 . . . . . . A 105 GLN HE22 . 30968 1 1258 . 1 . 1 105 105 GLN C C 13 178.180 0.000 . . . . . . A 105 GLN C . 30968 1 1259 . 1 . 1 105 105 GLN CA C 13 58.191 0.000 . . . . . . A 105 GLN CA . 30968 1 1260 . 1 . 1 105 105 GLN CB C 13 28.299 0.000 . . . . . . A 105 GLN CB . 30968 1 1261 . 1 . 1 105 105 GLN CG C 13 33.765 0.000 . . . . . . A 105 GLN CG . 30968 1 1262 . 1 . 1 105 105 GLN N N 15 118.623 0.000 . . . . . . A 105 GLN N . 30968 1 1263 . 1 . 1 105 105 GLN NE2 N 15 116.845 0.000 . . . . . . A 105 GLN NE2 . 30968 1 1264 . 1 . 1 106 106 ALA H H 1 7.935 0.000 . . . . . . A 106 ALA H . 30968 1 1265 . 1 . 1 106 106 ALA HA H 1 4.196 0.000 . . . . . . A 106 ALA HA . 30968 1 1266 . 1 . 1 106 106 ALA HB1 H 1 1.504 0.000 . . . . . . A 106 ALA HB1 . 30968 1 1267 . 1 . 1 106 106 ALA HB2 H 1 1.504 0.000 . . . . . . A 106 ALA HB2 . 30968 1 1268 . 1 . 1 106 106 ALA HB3 H 1 1.504 0.000 . . . . . . A 106 ALA HB3 . 30968 1 1269 . 1 . 1 106 106 ALA C C 13 179.388 0.000 . . . . . . A 106 ALA C . 30968 1 1270 . 1 . 1 106 106 ALA CA C 13 54.139 0.000 . . . . . . A 106 ALA CA . 30968 1 1271 . 1 . 1 106 106 ALA CB C 13 18.222 0.000 . . . . . . A 106 ALA CB . 30968 1 1272 . 1 . 1 106 106 ALA N N 15 122.664 0.000 . . . . . . A 106 ALA N . 30968 1 1273 . 1 . 1 107 107 LEU H H 1 8.005 0.000 . . . . . . A 107 LEU H . 30968 1 1274 . 1 . 1 107 107 LEU HA H 1 4.187 0.000 . . . . . . A 107 LEU HA . 30968 1 1275 . 1 . 1 107 107 LEU HB2 H 1 1.701 0.000 . . . . . . A 107 LEU HB2 . 30968 1 1276 . 1 . 1 107 107 LEU HB3 H 1 1.652 0.000 . . . . . . A 107 LEU HB3 . 30968 1 1277 . 1 . 1 107 107 LEU HG H 1 1.668 0.000 . . . . . . A 107 LEU HG . 30968 1 1278 . 1 . 1 107 107 LEU HD11 H 1 0.890 0.000 . . . . . . A 107 LEU HD11 . 30968 1 1279 . 1 . 1 107 107 LEU HD12 H 1 0.890 0.000 . . . . . . A 107 LEU HD12 . 30968 1 1280 . 1 . 1 107 107 LEU HD13 H 1 0.890 0.000 . . . . . . A 107 LEU HD13 . 30968 1 1281 . 1 . 1 107 107 LEU HD21 H 1 0.867 0.000 . . . . . . A 107 LEU HD21 . 30968 1 1282 . 1 . 1 107 107 LEU HD22 H 1 0.867 0.000 . . . . . . A 107 LEU HD22 . 30968 1 1283 . 1 . 1 107 107 LEU HD23 H 1 0.867 0.000 . . . . . . A 107 LEU HD23 . 30968 1 1284 . 1 . 1 107 107 LEU C C 13 178.473 0.000 . . . . . . A 107 LEU C . 30968 1 1285 . 1 . 1 107 107 LEU CA C 13 56.938 0.000 . . . . . . A 107 LEU CA . 30968 1 1286 . 1 . 1 107 107 LEU CB C 13 41.925 0.000 . . . . . . A 107 LEU CB . 30968 1 1287 . 1 . 1 107 107 LEU CG C 13 26.864 0.000 . . . . . . A 107 LEU CG . 30968 1 1288 . 1 . 1 107 107 LEU CD1 C 13 24.864 0.000 . . . . . . A 107 LEU CD1 . 30968 1 1289 . 1 . 1 107 107 LEU CD2 C 13 23.451 0.000 . . . . . . A 107 LEU CD2 . 30968 1 1290 . 1 . 1 107 107 LEU N N 15 119.443 0.000 . . . . . . A 107 LEU N . 30968 1 1291 . 1 . 1 108 108 LEU H H 1 8.132 0.000 . . . . . . A 108 LEU H . 30968 1 1292 . 1 . 1 108 108 LEU HA H 1 4.189 0.000 . . . . . . A 108 LEU HA . 30968 1 1293 . 1 . 1 108 108 LEU HB2 H 1 1.783 0.000 . . . . . . A 108 LEU HB2 . 30968 1 1294 . 1 . 1 108 108 LEU HB3 H 1 1.536 0.000 . . . . . . A 108 LEU HB3 . 30968 1 1295 . 1 . 1 108 108 LEU HG H 1 1.573 0.000 . . . . . . A 108 LEU HG . 30968 1 1296 . 1 . 1 108 108 LEU HD11 H 1 0.884 0.000 . . . . . . A 108 LEU HD11 . 30968 1 1297 . 1 . 1 108 108 LEU HD12 H 1 0.884 0.000 . . . . . . A 108 LEU HD12 . 30968 1 1298 . 1 . 1 108 108 LEU HD13 H 1 0.884 0.000 . . . . . . A 108 LEU HD13 . 30968 1 1299 . 1 . 1 108 108 LEU HD21 H 1 0.835 0.000 . . . . . . A 108 LEU HD21 . 30968 1 1300 . 1 . 1 108 108 LEU HD22 H 1 0.835 0.000 . . . . . . A 108 LEU HD22 . 30968 1 1301 . 1 . 1 108 108 LEU HD23 H 1 0.835 0.000 . . . . . . A 108 LEU HD23 . 30968 1 1302 . 1 . 1 108 108 LEU C C 13 179.190 0.000 . . . . . . A 108 LEU C . 30968 1 1303 . 1 . 1 108 108 LEU CA C 13 56.383 0.000 . . . . . . A 108 LEU CA . 30968 1 1304 . 1 . 1 108 108 LEU CB C 13 41.950 0.000 . . . . . . A 108 LEU CB . 30968 1 1305 . 1 . 1 108 108 LEU CG C 13 26.855 0.000 . . . . . . A 108 LEU CG . 30968 1 1306 . 1 . 1 108 108 LEU CD1 C 13 25.193 0.000 . . . . . . A 108 LEU CD1 . 30968 1 1307 . 1 . 1 108 108 LEU CD2 C 13 22.958 0.000 . . . . . . A 108 LEU CD2 . 30968 1 1308 . 1 . 1 108 108 LEU N N 15 119.343 0.000 . . . . . . A 108 LEU N . 30968 1 1309 . 1 . 1 109 109 GLY H H 1 8.105 0.000 . . . . . . A 109 GLY H . 30968 1 1310 . 1 . 1 109 109 GLY HA2 H 1 3.954 0.000 . . . . . . A 109 GLY HA2 . 30968 1 1311 . 1 . 1 109 109 GLY HA3 H 1 3.927 0.000 . . . . . . A 109 GLY HA3 . 30968 1 1312 . 1 . 1 109 109 GLY C C 13 174.017 0.000 . . . . . . A 109 GLY C . 30968 1 1313 . 1 . 1 109 109 GLY CA C 13 45.870 0.000 . . . . . . A 109 GLY CA . 30968 1 1314 . 1 . 1 109 109 GLY N N 15 108.134 0.000 . . . . . . A 109 GLY N . 30968 1 1315 . 1 . 1 110 110 ALA H H 1 8.056 0.000 . . . . . . A 110 ALA H . 30968 1 1316 . 1 . 1 110 110 ALA HA H 1 4.252 0.000 . . . . . . A 110 ALA HA . 30968 1 1317 . 1 . 1 110 110 ALA HB1 H 1 1.435 0.000 . . . . . . A 110 ALA HB1 . 30968 1 1318 . 1 . 1 110 110 ALA HB2 H 1 1.435 0.000 . . . . . . A 110 ALA HB2 . 30968 1 1319 . 1 . 1 110 110 ALA HB3 H 1 1.435 0.000 . . . . . . A 110 ALA HB3 . 30968 1 1320 . 1 . 1 110 110 ALA C C 13 178.586 0.000 . . . . . . A 110 ALA C . 30968 1 1321 . 1 . 1 110 110 ALA CA C 13 53.232 0.000 . . . . . . A 110 ALA CA . 30968 1 1322 . 1 . 1 110 110 ALA CB C 13 18.646 0.000 . . . . . . A 110 ALA CB . 30968 1 1323 . 1 . 1 110 110 ALA N N 15 123.860 0.000 . . . . . . A 110 ALA N . 30968 1 1324 . 1 . 1 111 111 ARG H H 1 8.086 0.000 . . . . . . A 111 ARG H . 30968 1 1325 . 1 . 1 111 111 ARG HA H 1 4.248 0.000 . . . . . . A 111 ARG HA . 30968 1 1326 . 1 . 1 111 111 ARG HB2 H 1 1.885 0.000 . . . . . . A 111 ARG HB2 . 30968 1 1327 . 1 . 1 111 111 ARG HB3 H 1 1.808 0.000 . . . . . . A 111 ARG HB3 . 30968 1 1328 . 1 . 1 111 111 ARG HG2 H 1 1.716 0.000 . . . . . . A 111 ARG HG2 . 30968 1 1329 . 1 . 1 111 111 ARG HG3 H 1 1.647 0.000 . . . . . . A 111 ARG HG3 . 30968 1 1330 . 1 . 1 111 111 ARG HD2 H 1 3.157 0.000 . . . . . . A 111 ARG HD2 . 30968 1 1331 . 1 . 1 111 111 ARG HD3 H 1 3.182 0.000 . . . . . . A 111 ARG HD3 . 30968 1 1332 . 1 . 1 111 111 ARG C C 13 176.896 0.000 . . . . . . A 111 ARG C . 30968 1 1333 . 1 . 1 111 111 ARG CA C 13 56.596 0.000 . . . . . . A 111 ARG CA . 30968 1 1334 . 1 . 1 111 111 ARG CB C 13 30.343 0.008 . . . . . . A 111 ARG CB . 30968 1 1335 . 1 . 1 111 111 ARG CG C 13 27.114 0.000 . . . . . . A 111 ARG CG . 30968 1 1336 . 1 . 1 111 111 ARG CD C 13 43.451 0.000 . . . . . . A 111 ARG CD . 30968 1 1337 . 1 . 1 111 111 ARG N N 15 118.623 0.000 . . . . . . A 111 ARG N . 30968 1 1338 . 1 . 1 112 112 ALA H H 1 8.057 0.005 . . . . . . A 112 ALA H . 30968 1 1339 . 1 . 1 112 112 ALA HA H 1 4.205 0.000 . . . . . . A 112 ALA HA . 30968 1 1340 . 1 . 1 112 112 ALA HB1 H 1 1.423 0.000 . . . . . . A 112 ALA HB1 . 30968 1 1341 . 1 . 1 112 112 ALA HB2 H 1 1.423 0.000 . . . . . . A 112 ALA HB2 . 30968 1 1342 . 1 . 1 112 112 ALA HB3 H 1 1.423 0.000 . . . . . . A 112 ALA HB3 . 30968 1 1343 . 1 . 1 112 112 ALA C C 13 178.284 0.000 . . . . . . A 112 ALA C . 30968 1 1344 . 1 . 1 112 112 ALA CA C 13 54.261 1.737 . . . . . . A 112 ALA CA . 30968 1 1345 . 1 . 1 112 112 ALA CB C 13 18.854 0.135 . . . . . . A 112 ALA CB . 30968 1 1346 . 1 . 1 112 112 ALA N N 15 123.860 0.000 . . . . . . A 112 ALA N . 30968 1 1347 . 1 . 1 113 113 LYS H H 1 8.149 0.000 . . . . . . A 113 LYS H . 30968 1 1348 . 1 . 1 113 113 LYS HA H 1 4.182 0.000 . . . . . . A 113 LYS HA . 30968 1 1349 . 1 . 1 113 113 LYS HB2 H 1 1.856 0.000 . . . . . . A 113 LYS HB2 . 30968 1 1350 . 1 . 1 113 113 LYS HB3 H 1 1.780 0.000 . . . . . . A 113 LYS HB3 . 30968 1 1351 . 1 . 1 113 113 LYS HG2 H 1 1.472 0.000 . . . . . . A 113 LYS HG2 . 30968 1 1352 . 1 . 1 113 113 LYS HG3 H 1 1.388 0.000 . . . . . . A 113 LYS HG3 . 30968 1 1353 . 1 . 1 113 113 LYS HD2 H 1 1.684 0.000 . . . . . . A 113 LYS HD2 . 30968 1 1354 . 1 . 1 113 113 LYS HD3 H 1 1.638 0.000 . . . . . . A 113 LYS HD3 . 30968 1 1355 . 1 . 1 113 113 LYS HE2 H 1 3.003 0.000 . . . . . . A 113 LYS HE2 . 30968 1 1356 . 1 . 1 113 113 LYS HE3 H 1 2.963 0.000 . . . . . . A 113 LYS HE3 . 30968 1 1357 . 1 . 1 113 113 LYS C C 13 177.085 0.000 . . . . . . A 113 LYS C . 30968 1 1358 . 1 . 1 113 113 LYS CA C 13 57.299 0.000 . . . . . . A 113 LYS CA . 30968 1 1359 . 1 . 1 113 113 LYS CB C 13 32.692 0.000 . . . . . . A 113 LYS CB . 30968 1 1360 . 1 . 1 113 113 LYS CG C 13 24.732 0.000 . . . . . . A 113 LYS CG . 30968 1 1361 . 1 . 1 113 113 LYS CD C 13 28.813 0.000 . . . . . . A 113 LYS CD . 30968 1 1362 . 1 . 1 113 113 LYS CE C 13 41.942 0.000 . . . . . . A 113 LYS CE . 30968 1 1363 . 1 . 1 113 113 LYS N N 15 119.971 0.000 . . . . . . A 113 LYS N . 30968 1 1364 . 1 . 1 114 114 GLU H H 1 8.318 0.000 . . . . . . A 114 GLU H . 30968 1 1365 . 1 . 1 114 114 GLU HA H 1 4.242 0.000 . . . . . . A 114 GLU HA . 30968 1 1366 . 1 . 1 114 114 GLU HB2 H 1 1.989 0.000 . . . . . . A 114 GLU HB2 . 30968 1 1367 . 1 . 1 114 114 GLU HB3 H 1 2.070 0.000 . . . . . . A 114 GLU HB3 . 30968 1 1368 . 1 . 1 114 114 GLU HG2 H 1 2.310 0.000 . . . . . . A 114 GLU HG2 . 30968 1 1369 . 1 . 1 114 114 GLU HG3 H 1 2.248 0.000 . . . . . . A 114 GLU HG3 . 30968 1 1370 . 1 . 1 114 114 GLU C C 13 176.930 0.000 . . . . . . A 114 GLU C . 30968 1 1371 . 1 . 1 114 114 GLU CA C 13 57.145 0.000 . . . . . . A 114 GLU CA . 30968 1 1372 . 1 . 1 114 114 GLU CB C 13 29.813 0.000 . . . . . . A 114 GLU CB . 30968 1 1373 . 1 . 1 114 114 GLU CG C 13 36.370 0.000 . . . . . . A 114 GLU CG . 30968 1 1374 . 1 . 1 114 114 GLU N N 15 120.615 0.000 . . . . . . A 114 GLU N . 30968 1 1375 . 1 . 1 115 115 SER H H 1 8.164 0.000 . . . . . . A 115 SER H . 30968 1 1376 . 1 . 1 115 115 SER HA H 1 4.383 0.000 . . . . . . A 115 SER HA . 30968 1 1377 . 1 . 1 115 115 SER HB2 H 1 3.923 0.000 . . . . . . A 115 SER HB2 . 30968 1 1378 . 1 . 1 115 115 SER HB3 H 1 3.871 0.000 . . . . . . A 115 SER HB3 . 30968 1 1379 . 1 . 1 115 115 SER C C 13 174.867 0.000 . . . . . . A 115 SER C . 30968 1 1380 . 1 . 1 115 115 SER CA C 13 58.899 0.000 . . . . . . A 115 SER CA . 30968 1 1381 . 1 . 1 115 115 SER CB C 13 63.519 0.000 . . . . . . A 115 SER CB . 30968 1 1382 . 1 . 1 115 115 SER N N 15 115.927 0.000 . . . . . . A 115 SER N . 30968 1 1383 . 1 . 1 116 116 LEU H H 1 8.142 0.000 . . . . . . A 116 LEU H . 30968 1 1384 . 1 . 1 116 116 LEU HA H 1 4.246 0.000 . . . . . . A 116 LEU HA . 30968 1 1385 . 1 . 1 116 116 LEU HB2 H 1 1.674 0.000 . . . . . . A 116 LEU HB2 . 30968 1 1386 . 1 . 1 116 116 LEU HB3 H 1 1.579 0.000 . . . . . . A 116 LEU HB3 . 30968 1 1387 . 1 . 1 116 116 LEU HG H 1 1.521 0.000 . . . . . . A 116 LEU HG . 30968 1 1388 . 1 . 1 116 116 LEU HD11 H 1 0.910 0.000 . . . . . . A 116 LEU HD11 . 30968 1 1389 . 1 . 1 116 116 LEU HD12 H 1 0.910 0.000 . . . . . . A 116 LEU HD12 . 30968 1 1390 . 1 . 1 116 116 LEU HD13 H 1 0.910 0.000 . . . . . . A 116 LEU HD13 . 30968 1 1391 . 1 . 1 116 116 LEU HD21 H 1 0.818 0.000 . . . . . . A 116 LEU HD21 . 30968 1 1392 . 1 . 1 116 116 LEU HD22 H 1 0.818 0.000 . . . . . . A 116 LEU HD22 . 30968 1 1393 . 1 . 1 116 116 LEU HD23 H 1 0.818 0.000 . . . . . . A 116 LEU HD23 . 30968 1 1394 . 1 . 1 116 116 LEU C C 13 177.349 0.000 . . . . . . A 116 LEU C . 30968 1 1395 . 1 . 1 116 116 LEU CA C 13 55.874 0.000 . . . . . . A 116 LEU CA . 30968 1 1396 . 1 . 1 116 116 LEU CB C 13 42.148 0.000 . . . . . . A 116 LEU CB . 30968 1 1397 . 1 . 1 116 116 LEU CG C 13 26.986 0.000 . . . . . . A 116 LEU CG . 30968 1 1398 . 1 . 1 116 116 LEU CD1 C 13 25.162 0.000 . . . . . . A 116 LEU CD1 . 30968 1 1399 . 1 . 1 116 116 LEU CD2 C 13 23.485 0.000 . . . . . . A 116 LEU CD2 . 30968 1 1400 . 1 . 1 116 116 LEU N N 15 124.049 0.000 . . . . . . A 116 LEU N . 30968 1 1401 . 1 . 1 117 117 ASP H H 1 8.297 0.000 . . . . . . A 117 ASP H . 30968 1 1402 . 1 . 1 117 117 ASP HA H 1 4.556 0.000 . . . . . . A 117 ASP HA . 30968 1 1403 . 1 . 1 117 117 ASP HB2 H 1 2.604 0.000 . . . . . . A 117 ASP HB2 . 30968 1 1404 . 1 . 1 117 117 ASP HB3 H 1 2.755 0.000 . . . . . . A 117 ASP HB3 . 30968 1 1405 . 1 . 1 117 117 ASP C C 13 176.906 0.000 . . . . . . A 117 ASP C . 30968 1 1406 . 1 . 1 117 117 ASP CA C 13 54.490 0.000 . . . . . . A 117 ASP CA . 30968 1 1407 . 1 . 1 117 117 ASP CB C 13 40.610 0.000 . . . . . . A 117 ASP CB . 30968 1 1408 . 1 . 1 117 117 ASP N N 15 121.026 0.000 . . . . . . A 117 ASP N . 30968 1 1409 . 1 . 1 118 118 LEU H H 1 8.183 0.000 . . . . . . A 118 LEU H . 30968 1 1410 . 1 . 1 118 118 LEU HA H 1 4.242 0.000 . . . . . . A 118 LEU HA . 30968 1 1411 . 1 . 1 118 118 LEU HB2 H 1 1.703 0.000 . . . . . . A 118 LEU HB2 . 30968 1 1412 . 1 . 1 118 118 LEU HB3 H 1 1.652 0.000 . . . . . . A 118 LEU HB3 . 30968 1 1413 . 1 . 1 118 118 LEU HG H 1 1.660 0.000 . . . . . . A 118 LEU HG . 30968 1 1414 . 1 . 1 118 118 LEU HD11 H 1 0.835 0.000 . . . . . . A 118 LEU HD11 . 30968 1 1415 . 1 . 1 118 118 LEU HD12 H 1 0.835 0.000 . . . . . . A 118 LEU HD12 . 30968 1 1416 . 1 . 1 118 118 LEU HD13 H 1 0.835 0.000 . . . . . . A 118 LEU HD13 . 30968 1 1417 . 1 . 1 118 118 LEU HD21 H 1 0.901 0.000 . . . . . . A 118 LEU HD21 . 30968 1 1418 . 1 . 1 118 118 LEU HD22 H 1 0.901 0.000 . . . . . . A 118 LEU HD22 . 30968 1 1419 . 1 . 1 118 118 LEU HD23 H 1 0.901 0.000 . . . . . . A 118 LEU HD23 . 30968 1 1420 . 1 . 1 118 118 LEU C C 13 178.057 0.000 . . . . . . A 118 LEU C . 30968 1 1421 . 1 . 1 118 118 LEU CA C 13 56.197 0.000 . . . . . . A 118 LEU CA . 30968 1 1422 . 1 . 1 118 118 LEU CB C 13 41.826 0.000 . . . . . . A 118 LEU CB . 30968 1 1423 . 1 . 1 118 118 LEU CG C 13 26.846 0.000 . . . . . . A 118 LEU CG . 30968 1 1424 . 1 . 1 118 118 LEU CD1 C 13 23.531 0.000 . . . . . . A 118 LEU CD1 . 30968 1 1425 . 1 . 1 118 118 LEU CD2 C 13 24.879 0.000 . . . . . . A 118 LEU CD2 . 30968 1 1426 . 1 . 1 118 118 LEU N N 15 123.324 0.000 . . . . . . A 118 LEU N . 30968 1 1427 . 1 . 1 119 119 ARG H H 1 8.152 0.000 . . . . . . A 119 ARG H . 30968 1 1428 . 1 . 1 119 119 ARG HA H 1 4.183 0.000 . . . . . . A 119 ARG HA . 30968 1 1429 . 1 . 1 119 119 ARG HB2 H 1 1.878 0.000 . . . . . . A 119 ARG HB2 . 30968 1 1430 . 1 . 1 119 119 ARG HB3 H 1 1.817 0.000 . . . . . . A 119 ARG HB3 . 30968 1 1431 . 1 . 1 119 119 ARG HG2 H 1 1.695 0.000 . . . . . . A 119 ARG HG2 . 30968 1 1432 . 1 . 1 119 119 ARG HG3 H 1 1.626 0.000 . . . . . . A 119 ARG HG3 . 30968 1 1433 . 1 . 1 119 119 ARG HD2 H 1 3.196 0.000 . . . . . . A 119 ARG HD2 . 30968 1 1434 . 1 . 1 119 119 ARG HD3 H 1 3.168 0.000 . . . . . . A 119 ARG HD3 . 30968 1 1435 . 1 . 1 119 119 ARG C C 13 177.057 0.000 . . . . . . A 119 ARG C . 30968 1 1436 . 1 . 1 119 119 ARG CA C 13 57.068 0.000 . . . . . . A 119 ARG CA . 30968 1 1437 . 1 . 1 119 119 ARG CB C 13 30.036 0.000 . . . . . . A 119 ARG CB . 30968 1 1438 . 1 . 1 119 119 ARG CG C 13 27.237 0.000 . . . . . . A 119 ARG CG . 30968 1 1439 . 1 . 1 119 119 ARG CD C 13 43.203 0.000 . . . . . . A 119 ARG CD . 30968 1 1440 . 1 . 1 119 119 ARG N N 15 119.209 0.000 . . . . . . A 119 ARG N . 30968 1 1441 . 1 . 1 120 120 ALA H H 1 7.981 0.000 . . . . . . A 120 ALA H . 30968 1 1442 . 1 . 1 120 120 ALA HA H 1 4.154 0.000 . . . . . . A 120 ALA HA . 30968 1 1443 . 1 . 1 120 120 ALA HB1 H 1 1.367 0.000 . . . . . . A 120 ALA HB1 . 30968 1 1444 . 1 . 1 120 120 ALA HB2 H 1 1.367 0.000 . . . . . . A 120 ALA HB2 . 30968 1 1445 . 1 . 1 120 120 ALA HB3 H 1 1.367 0.000 . . . . . . A 120 ALA HB3 . 30968 1 1446 . 1 . 1 120 120 ALA C C 13 178.189 0.000 . . . . . . A 120 ALA C . 30968 1 1447 . 1 . 1 120 120 ALA CA C 13 53.466 0.000 . . . . . . A 120 ALA CA . 30968 1 1448 . 1 . 1 120 120 ALA CB C 13 18.644 0.000 . . . . . . A 120 ALA CB . 30968 1 1449 . 1 . 1 120 120 ALA N N 15 122.901 0.000 . . . . . . A 120 ALA N . 30968 1 1450 . 1 . 1 121 121 HIS H H 1 8.156 0.000 . . . . . . A 121 HIS H . 30968 1 1451 . 1 . 1 121 121 HIS HA H 1 4.538 0.000 . . . . . . A 121 HIS HA . 30968 1 1452 . 1 . 1 121 121 HIS HB2 H 1 3.170 0.000 . . . . . . A 121 HIS HB2 . 30968 1 1453 . 1 . 1 121 121 HIS HB3 H 1 3.110 0.000 . . . . . . A 121 HIS HB3 . 30968 1 1454 . 1 . 1 121 121 HIS HD2 H 1 7.025 0.000 . . . . . . A 121 HIS HD2 . 30968 1 1455 . 1 . 1 121 121 HIS HE1 H 1 7.954 0.000 . . . . . . A 121 HIS HE1 . 30968 1 1456 . 1 . 1 121 121 HIS C C 13 175.631 0.000 . . . . . . A 121 HIS C . 30968 1 1457 . 1 . 1 121 121 HIS CA C 13 56.722 0.000 . . . . . . A 121 HIS CA . 30968 1 1458 . 1 . 1 121 121 HIS CB C 13 30.062 0.000 . . . . . . A 121 HIS CB . 30968 1 1459 . 1 . 1 121 121 HIS CD2 C 13 119.600 0.000 . . . . . . A 121 HIS CD2 . 30968 1 1460 . 1 . 1 121 121 HIS CE1 C 13 138.090 0.000 . . . . . . A 121 HIS CE1 . 30968 1 1461 . 1 . 1 121 121 HIS N N 15 117.392 0.000 . . . . . . A 121 HIS N . 30968 1 1462 . 1 . 1 122 122 LEU H H 1 7.894 0.000 . . . . . . A 122 LEU H . 30968 1 1463 . 1 . 1 122 122 LEU HA H 1 4.237 0.000 . . . . . . A 122 LEU HA . 30968 1 1464 . 1 . 1 122 122 LEU HB2 H 1 1.639 0.000 . . . . . . A 122 LEU HB2 . 30968 1 1465 . 1 . 1 122 122 LEU HB3 H 1 1.518 0.000 . . . . . . A 122 LEU HB3 . 30968 1 1466 . 1 . 1 122 122 LEU HG H 1 1.452 0.000 . . . . . . A 122 LEU HG . 30968 1 1467 . 1 . 1 122 122 LEU HD11 H 1 0.825 0.000 . . . . . . A 122 LEU HD11 . 30968 1 1468 . 1 . 1 122 122 LEU HD12 H 1 0.825 0.000 . . . . . . A 122 LEU HD12 . 30968 1 1469 . 1 . 1 122 122 LEU HD13 H 1 0.825 0.000 . . . . . . A 122 LEU HD13 . 30968 1 1470 . 1 . 1 122 122 LEU HD21 H 1 0.889 0.000 . . . . . . A 122 LEU HD21 . 30968 1 1471 . 1 . 1 122 122 LEU HD22 H 1 0.889 0.000 . . . . . . A 122 LEU HD22 . 30968 1 1472 . 1 . 1 122 122 LEU HD23 H 1 0.889 0.000 . . . . . . A 122 LEU HD23 . 30968 1 1473 . 1 . 1 122 122 LEU C C 13 177.312 0.000 . . . . . . A 122 LEU C . 30968 1 1474 . 1 . 1 122 122 LEU CA C 13 55.350 0.000 . . . . . . A 122 LEU CA . 30968 1 1475 . 1 . 1 122 122 LEU CB C 13 41.925 0.000 . . . . . . A 122 LEU CB . 30968 1 1476 . 1 . 1 122 122 LEU CG C 13 26.675 0.000 . . . . . . A 122 LEU CG . 30968 1 1477 . 1 . 1 122 122 LEU CD1 C 13 23.156 0.000 . . . . . . A 122 LEU CD1 . 30968 1 1478 . 1 . 1 122 122 LEU CD2 C 13 24.842 0.000 . . . . . . A 122 LEU CD2 . 30968 1 1479 . 1 . 1 122 122 LEU N N 15 121.787 0.000 . . . . . . A 122 LEU N . 30968 1 1480 . 1 . 1 123 123 LYS H H 1 8.065 0.000 . . . . . . A 123 LYS H . 30968 1 1481 . 1 . 1 123 123 LYS HA H 1 4.259 0.000 . . . . . . A 123 LYS HA . 30968 1 1482 . 1 . 1 123 123 LYS HB2 H 1 1.875 0.000 . . . . . . A 123 LYS HB2 . 30968 1 1483 . 1 . 1 123 123 LYS HB3 H 1 1.780 0.000 . . . . . . A 123 LYS HB3 . 30968 1 1484 . 1 . 1 123 123 LYS HG2 H 1 1.462 0.000 . . . . . . A 123 LYS HG2 . 30968 1 1485 . 1 . 1 123 123 LYS HG3 H 1 1.405 0.000 . . . . . . A 123 LYS HG3 . 30968 1 1486 . 1 . 1 123 123 LYS HD2 H 1 1.630 0.000 . . . . . . A 123 LYS HD2 . 30968 1 1487 . 1 . 1 123 123 LYS HD3 H 1 1.610 0.000 . . . . . . A 123 LYS HD3 . 30968 1 1488 . 1 . 1 123 123 LYS HE2 H 1 2.951 0.000 . . . . . . A 123 LYS HE2 . 30968 1 1489 . 1 . 1 123 123 LYS HE3 H 1 2.974 0.000 . . . . . . A 123 LYS HE3 . 30968 1 1490 . 1 . 1 123 123 LYS C C 13 176.217 0.000 . . . . . . A 123 LYS C . 30968 1 1491 . 1 . 1 123 123 LYS CA C 13 56.612 0.000 . . . . . . A 123 LYS CA . 30968 1 1492 . 1 . 1 123 123 LYS CB C 13 32.717 0.000 . . . . . . A 123 LYS CB . 30968 1 1493 . 1 . 1 123 123 LYS CG C 13 24.440 0.000 . . . . . . A 123 LYS CG . 30968 1 1494 . 1 . 1 123 123 LYS CD C 13 28.977 0.000 . . . . . . A 123 LYS CD . 30968 1 1495 . 1 . 1 123 123 LYS CE C 13 41.773 0.000 . . . . . . A 123 LYS CE . 30968 1 1496 . 1 . 1 123 123 LYS N N 15 121.201 0.000 . . . . . . A 123 LYS N . 30968 1 1497 . 1 . 1 124 124 GLN H H 1 8.219 0.000 . . . . . . A 124 GLN H . 30968 1 1498 . 1 . 1 124 124 GLN HA H 1 4.332 0.000 . . . . . . A 124 GLN HA . 30968 1 1499 . 1 . 1 124 124 GLN HB2 H 1 1.961 0.000 . . . . . . A 124 GLN HB2 . 30968 1 1500 . 1 . 1 124 124 GLN HB3 H 1 2.040 0.000 . . . . . . A 124 GLN HB3 . 30968 1 1501 . 1 . 1 124 124 GLN HG2 H 1 2.320 0.000 . . . . . . A 124 GLN HG2 . 30968 1 1502 . 1 . 1 124 124 GLN HG3 H 1 2.320 0.000 . . . . . . A 124 GLN HG3 . 30968 1 1503 . 1 . 1 124 124 GLN HE21 H 1 7.540 0.000 . . . . . . A 124 GLN HE21 . 30968 1 1504 . 1 . 1 124 124 GLN HE22 H 1 6.880 0.000 . . . . . . A 124 GLN HE22 . 30968 1 1505 . 1 . 1 124 124 GLN C C 13 175.764 0.000 . . . . . . A 124 GLN C . 30968 1 1506 . 1 . 1 124 124 GLN CA C 13 55.546 0.000 . . . . . . A 124 GLN CA . 30968 1 1507 . 1 . 1 124 124 GLN CB C 13 29.391 0.000 . . . . . . A 124 GLN CB . 30968 1 1508 . 1 . 1 124 124 GLN CG C 13 33.718 0.000 . . . . . . A 124 GLN CG . 30968 1 1509 . 1 . 1 124 124 GLN N N 15 121.117 0.000 . . . . . . A 124 GLN N . 30968 1 1510 . 1 . 1 124 124 GLN NE2 N 15 112.700 0.000 . . . . . . A 124 GLN NE2 . 30968 1 1511 . 1 . 1 125 125 VAL H H 1 8.155 0.000 . . . . . . A 125 VAL H . 30968 1 1512 . 1 . 1 125 125 VAL HA H 1 4.063 0.000 . . . . . . A 125 VAL HA . 30968 1 1513 . 1 . 1 125 125 VAL HB H 1 2.026 0.000 . . . . . . A 125 VAL HB . 30968 1 1514 . 1 . 1 125 125 VAL HG11 H 1 0.899 0.000 . . . . . . A 125 VAL HG11 . 30968 1 1515 . 1 . 1 125 125 VAL HG12 H 1 0.899 0.000 . . . . . . A 125 VAL HG12 . 30968 1 1516 . 1 . 1 125 125 VAL HG13 H 1 0.899 0.000 . . . . . . A 125 VAL HG13 . 30968 1 1517 . 1 . 1 125 125 VAL HG21 H 1 0.919 0.000 . . . . . . A 125 VAL HG21 . 30968 1 1518 . 1 . 1 125 125 VAL HG22 H 1 0.919 0.000 . . . . . . A 125 VAL HG22 . 30968 1 1519 . 1 . 1 125 125 VAL HG23 H 1 0.919 0.000 . . . . . . A 125 VAL HG23 . 30968 1 1520 . 1 . 1 125 125 VAL C C 13 175.690 0.000 . . . . . . A 125 VAL C . 30968 1 1521 . 1 . 1 125 125 VAL CA C 13 62.253 0.000 . . . . . . A 125 VAL CA . 30968 1 1522 . 1 . 1 125 125 VAL CB C 13 32.493 0.000 . . . . . . A 125 VAL CB . 30968 1 1523 . 1 . 1 125 125 VAL CG1 C 13 21.008 0.000 . . . . . . A 125 VAL CG1 . 30968 1 1524 . 1 . 1 125 125 VAL CG2 C 13 20.529 0.000 . . . . . . A 125 VAL CG2 . 30968 1 1525 . 1 . 1 125 125 VAL N N 15 122.139 0.000 . . . . . . A 125 VAL N . 30968 1 1526 . 1 . 1 126 126 LYS H H 1 8.374 0.000 . . . . . . A 126 LYS H . 30968 1 1527 . 1 . 1 126 126 LYS HA H 1 4.319 0.000 . . . . . . A 126 LYS HA . 30968 1 1528 . 1 . 1 126 126 LYS HB2 H 1 1.790 0.000 . . . . . . A 126 LYS HB2 . 30968 1 1529 . 1 . 1 126 126 LYS HB3 H 1 1.713 0.000 . . . . . . A 126 LYS HB3 . 30968 1 1530 . 1 . 1 126 126 LYS HG2 H 1 1.365 0.000 . . . . . . A 126 LYS HG2 . 30968 1 1531 . 1 . 1 126 126 LYS HG3 H 1 1.464 0.000 . . . . . . A 126 LYS HG3 . 30968 1 1532 . 1 . 1 126 126 LYS HD2 H 1 1.640 0.000 . . . . . . A 126 LYS HD2 . 30968 1 1533 . 1 . 1 126 126 LYS HD3 H 1 1.688 0.000 . . . . . . A 126 LYS HD3 . 30968 1 1534 . 1 . 1 126 126 LYS HE2 H 1 2.930 0.000 . . . . . . A 126 LYS HE2 . 30968 1 1535 . 1 . 1 126 126 LYS HE3 H 1 2.918 0.000 . . . . . . A 126 LYS HE3 . 30968 1 1536 . 1 . 1 126 126 LYS C C 13 175.848 0.000 . . . . . . A 126 LYS C . 30968 1 1537 . 1 . 1 126 126 LYS CA C 13 56.048 0.000 . . . . . . A 126 LYS CA . 30968 1 1538 . 1 . 1 126 126 LYS CB C 13 33.089 0.000 . . . . . . A 126 LYS CB . 30968 1 1539 . 1 . 1 126 126 LYS CG C 13 24.395 0.000 . . . . . . A 126 LYS CG . 30968 1 1540 . 1 . 1 126 126 LYS CD C 13 29.100 0.000 . . . . . . A 126 LYS CD . 30968 1 1541 . 1 . 1 126 126 LYS CE C 13 41.796 0.000 . . . . . . A 126 LYS CE . 30968 1 1542 . 1 . 1 126 126 LYS N N 15 126.081 0.000 . . . . . . A 126 LYS N . 30968 1 1543 . 1 . 1 127 127 LYS H H 1 8.457 0.000 . . . . . . A 127 LYS H . 30968 1 1544 . 1 . 1 127 127 LYS HA H 1 4.322 0.000 . . . . . . A 127 LYS HA . 30968 1 1545 . 1 . 1 127 127 LYS HB2 H 1 1.722 0.000 . . . . . . A 127 LYS HB2 . 30968 1 1546 . 1 . 1 127 127 LYS HB3 H 1 1.780 0.000 . . . . . . A 127 LYS HB3 . 30968 1 1547 . 1 . 1 127 127 LYS HG2 H 1 1.380 0.000 . . . . . . A 127 LYS HG2 . 30968 1 1548 . 1 . 1 127 127 LYS HG3 H 1 1.456 0.000 . . . . . . A 127 LYS HG3 . 30968 1 1549 . 1 . 1 127 127 LYS HD2 H 1 1.610 0.000 . . . . . . A 127 LYS HD2 . 30968 1 1550 . 1 . 1 127 127 LYS HD3 H 1 1.629 0.000 . . . . . . A 127 LYS HD3 . 30968 1 1551 . 1 . 1 127 127 LYS HE2 H 1 2.996 0.000 . . . . . . A 127 LYS HE2 . 30968 1 1552 . 1 . 1 127 127 LYS HE3 H 1 2.939 0.000 . . . . . . A 127 LYS HE3 . 30968 1 1553 . 1 . 1 127 127 LYS C C 13 176.113 0.000 . . . . . . A 127 LYS C . 30968 1 1554 . 1 . 1 127 127 LYS CA C 13 56.170 0.000 . . . . . . A 127 LYS CA . 30968 1 1555 . 1 . 1 127 127 LYS CB C 13 33.071 0.000 . . . . . . A 127 LYS CB . 30968 1 1556 . 1 . 1 127 127 LYS CG C 13 24.473 0.000 . . . . . . A 127 LYS CG . 30968 1 1557 . 1 . 1 127 127 LYS CD C 13 28.779 0.000 . . . . . . A 127 LYS CD . 30968 1 1558 . 1 . 1 127 127 LYS CE C 13 41.782 0.000 . . . . . . A 127 LYS CE . 30968 1 1559 . 1 . 1 127 127 LYS N N 15 124.952 0.000 . . . . . . A 127 LYS N . 30968 1 1560 . 1 . 1 128 128 GLU H H 1 8.531 0.000 . . . . . . A 128 GLU H . 30968 1 1561 . 1 . 1 128 128 GLU HA H 1 4.352 0.000 . . . . . . A 128 GLU HA . 30968 1 1562 . 1 . 1 128 128 GLU HB2 H 1 2.095 0.000 . . . . . . A 128 GLU HB2 . 30968 1 1563 . 1 . 1 128 128 GLU HB3 H 1 1.877 0.000 . . . . . . A 128 GLU HB3 . 30968 1 1564 . 1 . 1 128 128 GLU HG2 H 1 2.230 0.000 . . . . . . A 128 GLU HG2 . 30968 1 1565 . 1 . 1 128 128 GLU HG3 H 1 2.108 0.000 . . . . . . A 128 GLU HG3 . 30968 1 1566 . 1 . 1 128 128 GLU C C 13 175.056 0.000 . . . . . . A 128 GLU C . 30968 1 1567 . 1 . 1 128 128 GLU CA C 13 56.213 0.000 . . . . . . A 128 GLU CA . 30968 1 1568 . 1 . 1 128 128 GLU CB C 13 30.429 0.000 . . . . . . A 128 GLU CB . 30968 1 1569 . 1 . 1 128 128 GLU CG C 13 36.182 0.000 . . . . . . A 128 GLU CG . 30968 1 1570 . 1 . 1 128 128 GLU N N 15 123.663 0.000 . . . . . . A 128 GLU N . 30968 1 1571 . 1 . 1 129 129 ASP H H 1 8.023 0.000 . . . . . . A 129 ASP H . 30968 1 1572 . 1 . 1 129 129 ASP HA H 1 4.356 0.000 . . . . . . A 129 ASP HA . 30968 1 1573 . 1 . 1 129 129 ASP HB2 H 1 2.640 0.000 . . . . . . A 129 ASP HB2 . 30968 1 1574 . 1 . 1 129 129 ASP HB3 H 1 2.552 0.000 . . . . . . A 129 ASP HB3 . 30968 1 1575 . 1 . 1 129 129 ASP CA C 13 55.651 0.000 . . . . . . A 129 ASP CA . 30968 1 1576 . 1 . 1 129 129 ASP CB C 13 41.801 0.000 . . . . . . A 129 ASP CB . 30968 1 1577 . 1 . 1 129 129 ASP N N 15 127.254 0.000 . . . . . . A 129 ASP N . 30968 1 stop_ save_