data_50448 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50448 _Entry.Title ; 1H-13C-15N Sars Unique Domain CoV-2 (nsp3c) N-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-08-31 _Entry.Accession_date 2020-08-31 _Entry.Last_release_date 2020-08-31 _Entry.Original_release_date 2020-08-31 _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 _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 ; 1H, 13C, and 15N backbone and sidechains chemical shift assignments of the SUD N-terminal domani of SARS-CoV-2 non-structural protein 3c. ; _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 Angelo Gallo . . . 0000-0001-9778-4822 50448 2 Aikaterini Tsika . . . . 50448 3 Nikos Fourkiotis . . . . 50448 4 Georgios Spyroulias . . . . 50448 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50448 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 568 50448 '15N chemical shifts' 127 50448 '1H chemical shifts' 916 50448 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 . . 2021-04-13 2020-08-31 update BMRB 'update entry citation' 50448 1 . . 2020-12-22 2020-08-31 original author 'original release' 50448 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50387 'SARS-CoV-2 protein Nsp3b, a domain of Nsp3 apo' 50448 BMRB 50388 'SARS-CoV-2 protein Nsp3b, a domain of Nsp3 ADP-ribose bound' 50448 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50448 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33225414 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N chemical shift assignments of the SUD domains of SARS-CoV-2 non-structural protein 3c: "the N-terminal domain-SUD-N" ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 85 _Citation.Page_last 89 _Citation.Year 2021 _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 Angelo Gallo A. . . . 50448 1 2 Aikaterini Tsika A. C. . . 50448 1 3 Nikolaos Fourkiotis N. K. . . 50448 1 4 Francesca Cantini F. . . . 50448 1 5 Lucia Banci L. . . . 50448 1 6 Sridhar Sreeramulu S. . . . 50448 1 7 Harald Schwalbe H. . . . 50448 1 8 Georgios Spyroulias G. A. . . 50448 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'SARS-CoV-2; Non-structural protein; SARS Unique Domain (SUD); Solution NMR-spectroscopy; Covid19-NMR' 50448 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50448 _Assembly.ID 1 _Assembly.Name 'SARS Unique Domain N-terminal domain of SARS-CoV-2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'N-terminal domain' 1 $entity_1 . . yes native no no . . . 50448 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50448 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSQDDKKIKACVEEVTTTLE ETKFLTENLLLYIDINGNLH PDSATLVSDIDITFLKKDAP YIVGDVVQEGVLTAVVIPTK KAGGTTEMLAKALRKVPTDN YITTYPGQGLNGYTVEEAKT VLKKCKSAFYILPSIISNEK QE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '409-548 of nsp3 protein. Sequence starts with Q is 409' _Entity.Polymer_author_seq_details 'GS are the remaining of the cleavage site' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The protein is encoded within the gene reported below' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB MT066156.1 . . . . . . . . . . . . . . . . 50448 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID "SUDs may be involved in the RTC machinery of the virus and they may control the host-cell's response to the viral infection" 50448 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 . 50448 1 2 . SER . 50448 1 3 . GLN . 50448 1 4 . ASP . 50448 1 5 . ASP . 50448 1 6 . LYS . 50448 1 7 . LYS . 50448 1 8 . ILE . 50448 1 9 . LYS . 50448 1 10 . ALA . 50448 1 11 . CYS . 50448 1 12 . VAL . 50448 1 13 . GLU . 50448 1 14 . GLU . 50448 1 15 . VAL . 50448 1 16 . THR . 50448 1 17 . THR . 50448 1 18 . THR . 50448 1 19 . LEU . 50448 1 20 . GLU . 50448 1 21 . GLU . 50448 1 22 . THR . 50448 1 23 . LYS . 50448 1 24 . PHE . 50448 1 25 . LEU . 50448 1 26 . THR . 50448 1 27 . GLU . 50448 1 28 . ASN . 50448 1 29 . LEU . 50448 1 30 . LEU . 50448 1 31 . LEU . 50448 1 32 . TYR . 50448 1 33 . ILE . 50448 1 34 . ASP . 50448 1 35 . ILE . 50448 1 36 . ASN . 50448 1 37 . GLY . 50448 1 38 . ASN . 50448 1 39 . LEU . 50448 1 40 . HIS . 50448 1 41 . PRO . 50448 1 42 . ASP . 50448 1 43 . SER . 50448 1 44 . ALA . 50448 1 45 . THR . 50448 1 46 . LEU . 50448 1 47 . VAL . 50448 1 48 . SER . 50448 1 49 . ASP . 50448 1 50 . ILE . 50448 1 51 . ASP . 50448 1 52 . ILE . 50448 1 53 . THR . 50448 1 54 . PHE . 50448 1 55 . LEU . 50448 1 56 . LYS . 50448 1 57 . LYS . 50448 1 58 . ASP . 50448 1 59 . ALA . 50448 1 60 . PRO . 50448 1 61 . TYR . 50448 1 62 . ILE . 50448 1 63 . VAL . 50448 1 64 . GLY . 50448 1 65 . ASP . 50448 1 66 . VAL . 50448 1 67 . VAL . 50448 1 68 . GLN . 50448 1 69 . GLU . 50448 1 70 . GLY . 50448 1 71 . VAL . 50448 1 72 . LEU . 50448 1 73 . THR . 50448 1 74 . ALA . 50448 1 75 . VAL . 50448 1 76 . VAL . 50448 1 77 . ILE . 50448 1 78 . PRO . 50448 1 79 . THR . 50448 1 80 . LYS . 50448 1 81 . LYS . 50448 1 82 . ALA . 50448 1 83 . GLY . 50448 1 84 . GLY . 50448 1 85 . THR . 50448 1 86 . THR . 50448 1 87 . GLU . 50448 1 88 . MET . 50448 1 89 . LEU . 50448 1 90 . ALA . 50448 1 91 . LYS . 50448 1 92 . ALA . 50448 1 93 . LEU . 50448 1 94 . ARG . 50448 1 95 . LYS . 50448 1 96 . VAL . 50448 1 97 . PRO . 50448 1 98 . THR . 50448 1 99 . ASP . 50448 1 100 . ASN . 50448 1 101 . TYR . 50448 1 102 . ILE . 50448 1 103 . THR . 50448 1 104 . THR . 50448 1 105 . TYR . 50448 1 106 . PRO . 50448 1 107 . GLY . 50448 1 108 . GLN . 50448 1 109 . GLY . 50448 1 110 . LEU . 50448 1 111 . ASN . 50448 1 112 . GLY . 50448 1 113 . TYR . 50448 1 114 . THR . 50448 1 115 . VAL . 50448 1 116 . GLU . 50448 1 117 . GLU . 50448 1 118 . ALA . 50448 1 119 . LYS . 50448 1 120 . THR . 50448 1 121 . VAL . 50448 1 122 . LEU . 50448 1 123 . LYS . 50448 1 124 . LYS . 50448 1 125 . CYS . 50448 1 126 . LYS . 50448 1 127 . SER . 50448 1 128 . ALA . 50448 1 129 . PHE . 50448 1 130 . TYR . 50448 1 131 . ILE . 50448 1 132 . LEU . 50448 1 133 . PRO . 50448 1 134 . SER . 50448 1 135 . ILE . 50448 1 136 . ILE . 50448 1 137 . SER . 50448 1 138 . ASN . 50448 1 139 . GLU . 50448 1 140 . LYS . 50448 1 141 . GLN . 50448 1 142 . GLU . 50448 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 50448 1 . SER 2 2 50448 1 . GLN 3 3 50448 1 . ASP 4 4 50448 1 . ASP 5 5 50448 1 . LYS 6 6 50448 1 . LYS 7 7 50448 1 . ILE 8 8 50448 1 . LYS 9 9 50448 1 . ALA 10 10 50448 1 . CYS 11 11 50448 1 . VAL 12 12 50448 1 . GLU 13 13 50448 1 . GLU 14 14 50448 1 . VAL 15 15 50448 1 . THR 16 16 50448 1 . THR 17 17 50448 1 . THR 18 18 50448 1 . LEU 19 19 50448 1 . GLU 20 20 50448 1 . GLU 21 21 50448 1 . THR 22 22 50448 1 . LYS 23 23 50448 1 . PHE 24 24 50448 1 . LEU 25 25 50448 1 . THR 26 26 50448 1 . GLU 27 27 50448 1 . ASN 28 28 50448 1 . LEU 29 29 50448 1 . LEU 30 30 50448 1 . LEU 31 31 50448 1 . TYR 32 32 50448 1 . ILE 33 33 50448 1 . ASP 34 34 50448 1 . ILE 35 35 50448 1 . ASN 36 36 50448 1 . GLY 37 37 50448 1 . ASN 38 38 50448 1 . LEU 39 39 50448 1 . HIS 40 40 50448 1 . PRO 41 41 50448 1 . ASP 42 42 50448 1 . SER 43 43 50448 1 . ALA 44 44 50448 1 . THR 45 45 50448 1 . LEU 46 46 50448 1 . VAL 47 47 50448 1 . SER 48 48 50448 1 . ASP 49 49 50448 1 . ILE 50 50 50448 1 . ASP 51 51 50448 1 . ILE 52 52 50448 1 . THR 53 53 50448 1 . PHE 54 54 50448 1 . LEU 55 55 50448 1 . LYS 56 56 50448 1 . LYS 57 57 50448 1 . ASP 58 58 50448 1 . ALA 59 59 50448 1 . PRO 60 60 50448 1 . TYR 61 61 50448 1 . ILE 62 62 50448 1 . VAL 63 63 50448 1 . GLY 64 64 50448 1 . ASP 65 65 50448 1 . VAL 66 66 50448 1 . VAL 67 67 50448 1 . GLN 68 68 50448 1 . GLU 69 69 50448 1 . GLY 70 70 50448 1 . VAL 71 71 50448 1 . LEU 72 72 50448 1 . THR 73 73 50448 1 . ALA 74 74 50448 1 . VAL 75 75 50448 1 . VAL 76 76 50448 1 . ILE 77 77 50448 1 . PRO 78 78 50448 1 . THR 79 79 50448 1 . LYS 80 80 50448 1 . LYS 81 81 50448 1 . ALA 82 82 50448 1 . GLY 83 83 50448 1 . GLY 84 84 50448 1 . THR 85 85 50448 1 . THR 86 86 50448 1 . GLU 87 87 50448 1 . MET 88 88 50448 1 . LEU 89 89 50448 1 . ALA 90 90 50448 1 . LYS 91 91 50448 1 . ALA 92 92 50448 1 . LEU 93 93 50448 1 . ARG 94 94 50448 1 . LYS 95 95 50448 1 . VAL 96 96 50448 1 . PRO 97 97 50448 1 . THR 98 98 50448 1 . ASP 99 99 50448 1 . ASN 100 100 50448 1 . TYR 101 101 50448 1 . ILE 102 102 50448 1 . THR 103 103 50448 1 . THR 104 104 50448 1 . TYR 105 105 50448 1 . PRO 106 106 50448 1 . GLY 107 107 50448 1 . GLN 108 108 50448 1 . GLY 109 109 50448 1 . LEU 110 110 50448 1 . ASN 111 111 50448 1 . GLY 112 112 50448 1 . TYR 113 113 50448 1 . THR 114 114 50448 1 . VAL 115 115 50448 1 . GLU 116 116 50448 1 . GLU 117 117 50448 1 . ALA 118 118 50448 1 . LYS 119 119 50448 1 . THR 120 120 50448 1 . VAL 121 121 50448 1 . LEU 122 122 50448 1 . LYS 123 123 50448 1 . LYS 124 124 50448 1 . CYS 125 125 50448 1 . LYS 126 126 50448 1 . SER 127 127 50448 1 . ALA 128 128 50448 1 . PHE 129 129 50448 1 . TYR 130 130 50448 1 . ILE 131 131 50448 1 . LEU 132 132 50448 1 . PRO 133 133 50448 1 . SER 134 134 50448 1 . ILE 135 135 50448 1 . ILE 136 136 50448 1 . SER 137 137 50448 1 . ASN 138 138 50448 1 . GLU 139 139 50448 1 . LYS 140 140 50448 1 . GLN 141 141 50448 1 . GLU 142 142 50448 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50448 _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 . 2697049 organism . 'Severe acute respiratory syndrome coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 50448 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50448 _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' . . . Escherichia coli BL21(DE3) . . plasmid . . pGex4T-1 . . . 50448 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50448 _Sample.ID 1 _Sample.Name sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SARS Unique Domain N-terminal domain of SARS-CoV-2' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.95 0.9 1 mM . . . . 50448 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 50448 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50448 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50448 1 5 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 50448 1 6 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 50448 1 7 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50448 1 8 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50448 1 9 'Protease inhibitor' 'natural abundance' . . . . . . 1 . . na . . . . 50448 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 50448 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 50448 1 pH 7.2 . pH 50448 1 pressure 1 . atm 50448 1 temperature 298 . K 50448 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50448 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50448 1 processing . 50448 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50448 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50448 2 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 50448 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'av700 HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50448 _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 . . . . . . . . . . . . . . . . . 50448 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50448 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50448 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50448 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50448 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50448 1 7 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50448 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50448 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50448 1 10 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50448 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 50448 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50448 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 50448 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50448 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 50448 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chemical_shift_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '3D HN(CA)CO' . . . 50448 1 7 '3D CBCANH' . . . 50448 1 9 '3D HBHA(CO)NH' . . . 50448 1 10 '3D (H)CCH-TOCSY' . . . 50448 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50448 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 4 4 ASP H H 1 8.171 0.020 . 1 . . . . . 4 ASP H . 50448 1 2 . 1 . 1 4 4 ASP HA H 1 4.464 0.020 . 1 . . . . . 4 ASP HA . 50448 1 3 . 1 . 1 4 4 ASP HB2 H 1 1.899 0.020 . 2 . . . . . 4 ASP HB2 . 50448 1 4 . 1 . 1 4 4 ASP HB3 H 1 2.044 0.020 . 2 . . . . . 4 ASP HB3 . 50448 1 5 . 1 . 1 4 4 ASP C C 13 176.270 0.3 . 1 . . . . . 4 ASP C . 50448 1 6 . 1 . 1 4 4 ASP CA C 13 54.810 0.3 . 1 . . . . . 4 ASP CA . 50448 1 7 . 1 . 1 4 4 ASP CB C 13 41.015 0.3 . 1 . . . . . 4 ASP CB . 50448 1 8 . 1 . 1 4 4 ASP N N 15 120.385 0.3 . 1 . . . . . 4 ASP N . 50448 1 9 . 1 . 1 5 5 ASP H H 1 8.166 0.020 . 1 . . . . . 5 ASP H . 50448 1 10 . 1 . 1 5 5 ASP HA H 1 4.425 0.020 . 1 . . . . . 5 ASP HA . 50448 1 11 . 1 . 1 5 5 ASP HB2 H 1 2.548 0.020 . 1 . . . . . 5 ASP HB2 . 50448 1 12 . 1 . 1 5 5 ASP HB3 H 1 2.548 0.020 . 1 . . . . . 5 ASP HB3 . 50448 1 13 . 1 . 1 5 5 ASP C C 13 176.258 0.3 . 1 . . . . . 5 ASP C . 50448 1 14 . 1 . 1 5 5 ASP CA C 13 54.539 0.3 . 1 . . . . . 5 ASP CA . 50448 1 15 . 1 . 1 5 5 ASP CB C 13 40.973 0.3 . 1 . . . . . 5 ASP CB . 50448 1 16 . 1 . 1 5 5 ASP N N 15 120.599 0.3 . 1 . . . . . 5 ASP N . 50448 1 17 . 1 . 1 6 6 LYS H H 1 8.125 0.020 . 1 . . . . . 6 LYS H . 50448 1 18 . 1 . 1 6 6 LYS HA H 1 4.120 0.020 . 1 . . . . . 6 LYS HA . 50448 1 19 . 1 . 1 6 6 LYS HB2 H 1 1.646 0.020 . 1 . . . . . 6 LYS HB2 . 50448 1 20 . 1 . 1 6 6 LYS HB3 H 1 1.646 0.020 . 1 . . . . . 6 LYS HB3 . 50448 1 21 . 1 . 1 6 6 LYS HG2 H 1 1.308 0.020 . 1 . . . . . 6 LYS HG2 . 50448 1 22 . 1 . 1 6 6 LYS HG3 H 1 1.308 0.020 . 1 . . . . . 6 LYS HG3 . 50448 1 23 . 1 . 1 6 6 LYS HD2 H 1 1.553 0.020 . 1 . . . . . 6 LYS HD2 . 50448 1 24 . 1 . 1 6 6 LYS HD3 H 1 1.553 0.020 . 1 . . . . . 6 LYS HD3 . 50448 1 25 . 1 . 1 6 6 LYS HE2 H 1 2.927 0.020 . 1 . . . . . 6 LYS HE2 . 50448 1 26 . 1 . 1 6 6 LYS HE3 H 1 2.927 0.020 . 1 . . . . . 6 LYS HE3 . 50448 1 27 . 1 . 1 6 6 LYS C C 13 176.238 0.3 . 1 . . . . . 6 LYS C . 50448 1 28 . 1 . 1 6 6 LYS CA C 13 56.331 0.3 . 1 . . . . . 6 LYS CA . 50448 1 29 . 1 . 1 6 6 LYS CB C 13 32.688 0.3 . 1 . . . . . 6 LYS CB . 50448 1 30 . 1 . 1 6 6 LYS CG C 13 24.860 0.3 . 1 . . . . . 6 LYS CG . 50448 1 31 . 1 . 1 6 6 LYS CD C 13 29.121 0.3 . 1 . . . . . 6 LYS CD . 50448 1 32 . 1 . 1 6 6 LYS CE C 13 42.068 0.3 . 1 . . . . . 6 LYS CE . 50448 1 33 . 1 . 1 6 6 LYS N N 15 121.155 0.3 . 1 . . . . . 6 LYS N . 50448 1 34 . 1 . 1 7 7 LYS H H 1 8.243 0.020 . 1 . . . . . 7 LYS H . 50448 1 35 . 1 . 1 7 7 LYS HA H 1 4.150 0.020 . 1 . . . . . 7 LYS HA . 50448 1 36 . 1 . 1 7 7 LYS HB2 H 1 1.634 0.020 . 1 . . . . . 7 LYS HB2 . 50448 1 37 . 1 . 1 7 7 LYS HB3 H 1 1.634 0.020 . 1 . . . . . 7 LYS HB3 . 50448 1 38 . 1 . 1 7 7 LYS HG2 H 1 1.300 0.020 . 2 . . . . . 7 LYS HG2 . 50448 1 39 . 1 . 1 7 7 LYS HG3 H 1 1.232 0.020 . 2 . . . . . 7 LYS HG3 . 50448 1 40 . 1 . 1 7 7 LYS HD2 H 1 1.556 0.020 . 1 . . . . . 7 LYS HD2 . 50448 1 41 . 1 . 1 7 7 LYS HD3 H 1 1.556 0.020 . 1 . . . . . 7 LYS HD3 . 50448 1 42 . 1 . 1 7 7 LYS HE2 H 1 2.880 0.020 . 1 . . . . . 7 LYS HE2 . 50448 1 43 . 1 . 1 7 7 LYS HE3 H 1 2.880 0.020 . 1 . . . . . 7 LYS HE3 . 50448 1 44 . 1 . 1 7 7 LYS C C 13 175.804 0.3 . 1 . . . . . 7 LYS C . 50448 1 45 . 1 . 1 7 7 LYS CA C 13 56.049 0.3 . 1 . . . . . 7 LYS CA . 50448 1 46 . 1 . 1 7 7 LYS CB C 13 32.406 0.3 . 1 . . . . . 7 LYS CB . 50448 1 47 . 1 . 1 7 7 LYS CG C 13 24.726 0.3 . 1 . . . . . 7 LYS CG . 50448 1 48 . 1 . 1 7 7 LYS CD C 13 29.086 0.3 . 1 . . . . . 7 LYS CD . 50448 1 49 . 1 . 1 7 7 LYS CE C 13 42.246 0.3 . 1 . . . . . 7 LYS CE . 50448 1 50 . 1 . 1 7 7 LYS N N 15 122.449 0.3 . 1 . . . . . 7 LYS N . 50448 1 51 . 1 . 1 8 8 ILE H H 1 8.123 0.020 . 1 . . . . . 8 ILE H . 50448 1 52 . 1 . 1 8 8 ILE HA H 1 3.979 0.020 . 1 . . . . . 8 ILE HA . 50448 1 53 . 1 . 1 8 8 ILE HB H 1 1.602 0.020 . 1 . . . . . 8 ILE HB . 50448 1 54 . 1 . 1 8 8 ILE HG12 H 1 0.936 0.020 . 2 . . . . . 8 ILE HG12 . 50448 1 55 . 1 . 1 8 8 ILE HG13 H 1 1.150 0.020 . 2 . . . . . 8 ILE HG13 . 50448 1 56 . 1 . 1 8 8 ILE HG21 H 1 0.521 0.020 . 1 . . . . . 8 ILE HG2 . 50448 1 57 . 1 . 1 8 8 ILE HG22 H 1 0.521 0.020 . 1 . . . . . 8 ILE HG2 . 50448 1 58 . 1 . 1 8 8 ILE HG23 H 1 0.521 0.020 . 1 . . . . . 8 ILE HG2 . 50448 1 59 . 1 . 1 8 8 ILE HD11 H 1 0.527 0.020 . 1 . . . . . 8 ILE HD1 . 50448 1 60 . 1 . 1 8 8 ILE HD12 H 1 0.527 0.020 . 1 . . . . . 8 ILE HD1 . 50448 1 61 . 1 . 1 8 8 ILE HD13 H 1 0.527 0.020 . 1 . . . . . 8 ILE HD1 . 50448 1 62 . 1 . 1 8 8 ILE C C 13 175.939 0.3 . 1 . . . . . 8 ILE C . 50448 1 63 . 1 . 1 8 8 ILE CA C 13 59.119 0.3 . 1 . . . . . 8 ILE CA . 50448 1 64 . 1 . 1 8 8 ILE CB C 13 37.762 0.3 . 1 . . . . . 8 ILE CB . 50448 1 65 . 1 . 1 8 8 ILE CG1 C 13 27.334 0.3 . 1 . . . . . 8 ILE CG1 . 50448 1 66 . 1 . 1 8 8 ILE CG2 C 13 17.77 0.3 . 1 . . . . . 8 ILE CG2 . 50448 1 67 . 1 . 1 8 8 ILE CD1 C 13 11.06 0.3 . 1 . . . . . 8 ILE CD1 . 50448 1 68 . 1 . 1 8 8 ILE N N 15 123.588 0.3 . 1 . . . . . 8 ILE N . 50448 1 69 . 1 . 1 9 9 LYS H H 1 8.609 0.020 . 1 . . . . . 9 LYS H . 50448 1 70 . 1 . 1 9 9 LYS HA H 1 4.308 0.020 . 1 . . . . . 9 LYS HA . 50448 1 71 . 1 . 1 9 9 LYS HB2 H 1 1.680 0.020 . 2 . . . . . 9 LYS HB2 . 50448 1 72 . 1 . 1 9 9 LYS HB3 H 1 1.547 0.020 . 2 . . . . . 9 LYS HB3 . 50448 1 73 . 1 . 1 9 9 LYS HG2 H 1 1.294 0.020 . 2 . . . . . 9 LYS HG2 . 50448 1 74 . 1 . 1 9 9 LYS HG3 H 1 1.173 0.020 . 2 . . . . . 9 LYS HG3 . 50448 1 75 . 1 . 1 9 9 LYS HD2 H 1 1.554 0.020 . 1 . . . . . 9 LYS HD2 . 50448 1 76 . 1 . 1 9 9 LYS HD3 H 1 1.554 0.020 . 1 . . . . . 9 LYS HD3 . 50448 1 77 . 1 . 1 9 9 LYS HE2 H 1 2.890 0.020 . 1 . . . . . 9 LYS HE2 . 50448 1 78 . 1 . 1 9 9 LYS HE3 H 1 2.890 0.020 . 1 . . . . . 9 LYS HE3 . 50448 1 79 . 1 . 1 9 9 LYS C C 13 174.109 0.3 . 1 . . . . . 9 LYS C . 50448 1 80 . 1 . 1 9 9 LYS CA C 13 54.621 0.3 . 1 . . . . . 9 LYS CA . 50448 1 81 . 1 . 1 9 9 LYS CB C 13 32.129 0.3 . 1 . . . . . 9 LYS CB . 50448 1 82 . 1 . 1 9 9 LYS CG C 13 24.643 0.3 . 1 . . . . . 9 LYS CG . 50448 1 83 . 1 . 1 9 9 LYS CD C 13 29.206 0.3 . 1 . . . . . 9 LYS CD . 50448 1 84 . 1 . 1 9 9 LYS CE C 13 42.254 0.3 . 1 . . . . . 9 LYS CE . 50448 1 85 . 1 . 1 9 9 LYS N N 15 131.052 0.3 . 1 . . . . . 9 LYS N . 50448 1 86 . 1 . 1 10 10 ALA H H 1 7.963 0.020 . 1 . . . . . 10 ALA H . 50448 1 87 . 1 . 1 10 10 ALA HA H 1 3.608 0.020 . 1 . . . . . 10 ALA HA . 50448 1 88 . 1 . 1 10 10 ALA HB1 H 1 1.186 0.020 . 1 . . . . . 10 ALA HB . 50448 1 89 . 1 . 1 10 10 ALA HB2 H 1 1.186 0.020 . 1 . . . . . 10 ALA HB . 50448 1 90 . 1 . 1 10 10 ALA HB3 H 1 1.186 0.020 . 1 . . . . . 10 ALA HB . 50448 1 91 . 1 . 1 10 10 ALA C C 13 177.617 0.3 . 1 . . . . . 10 ALA C . 50448 1 92 . 1 . 1 10 10 ALA CA C 13 52.935 0.3 . 1 . . . . . 10 ALA CA . 50448 1 93 . 1 . 1 10 10 ALA CB C 13 18.758 0.3 . 1 . . . . . 10 ALA CB . 50448 1 94 . 1 . 1 10 10 ALA N N 15 128.463 0.3 . 1 . . . . . 10 ALA N . 50448 1 95 . 1 . 1 11 11 CYS H H 1 8.121 0.020 . 1 . . . . . 11 CYS H . 50448 1 96 . 1 . 1 11 11 CYS HA H 1 4.641 0.020 . 1 . . . . . 11 CYS HA . 50448 1 97 . 1 . 1 11 11 CYS HB2 H 1 3.004 0.020 . 2 . . . . . 11 CYS HB2 . 50448 1 98 . 1 . 1 11 11 CYS HB3 H 1 2.839 0.020 . 2 . . . . . 11 CYS HB3 . 50448 1 99 . 1 . 1 11 11 CYS C C 13 171.655 0.3 . 1 . . . . . 11 CYS C . 50448 1 100 . 1 . 1 11 11 CYS CA C 13 57.223 0.3 . 1 . . . . . 11 CYS CA . 50448 1 101 . 1 . 1 11 11 CYS CB C 13 29.972 0.3 . 1 . . . . . 11 CYS CB . 50448 1 102 . 1 . 1 11 11 CYS N N 15 116.826 0.3 . 1 . . . . . 11 CYS N . 50448 1 103 . 1 . 1 12 12 VAL H H 1 8.357 0.020 . 1 . . . . . 12 VAL H . 50448 1 104 . 1 . 1 12 12 VAL HA H 1 4.507 0.020 . 1 . . . . . 12 VAL HA . 50448 1 105 . 1 . 1 12 12 VAL HB H 1 1.997 0.020 . 1 . . . . . 12 VAL HB . 50448 1 106 . 1 . 1 12 12 VAL HG11 H 1 0.837 0.020 . 1 . . . . . 12 VAL HG1 . 50448 1 107 . 1 . 1 12 12 VAL HG12 H 1 0.837 0.020 . 1 . . . . . 12 VAL HG1 . 50448 1 108 . 1 . 1 12 12 VAL HG13 H 1 0.837 0.020 . 1 . . . . . 12 VAL HG1 . 50448 1 109 . 1 . 1 12 12 VAL HG21 H 1 0.940 0.020 . 1 . . . . . 12 VAL HG2 . 50448 1 110 . 1 . 1 12 12 VAL HG22 H 1 0.940 0.020 . 1 . . . . . 12 VAL HG2 . 50448 1 111 . 1 . 1 12 12 VAL HG23 H 1 0.940 0.020 . 1 . . . . . 12 VAL HG2 . 50448 1 112 . 1 . 1 12 12 VAL C C 13 174.842 0.3 . 1 . . . . . 12 VAL C . 50448 1 113 . 1 . 1 12 12 VAL CA C 13 62.313 0.3 . 1 . . . . . 12 VAL CA . 50448 1 114 . 1 . 1 12 12 VAL CB C 13 33.621 0.3 . 1 . . . . . 12 VAL CB . 50448 1 115 . 1 . 1 12 12 VAL CG1 C 13 22.935 0.3 . 1 . . . . . 12 VAL CG1 . 50448 1 116 . 1 . 1 12 12 VAL CG2 C 13 22.592 0.3 . 1 . . . . . 12 VAL CG2 . 50448 1 117 . 1 . 1 12 12 VAL N N 15 120.909 0.3 . 1 . . . . . 12 VAL N . 50448 1 118 . 1 . 1 13 13 GLU H H 1 8.712 0.020 . 1 . . . . . 13 GLU H . 50448 1 119 . 1 . 1 13 13 GLU HA H 1 4.668 0.020 . 1 . . . . . 13 GLU HA . 50448 1 120 . 1 . 1 13 13 GLU HB2 H 1 1.778 0.020 . 2 . . . . . 13 GLU HB2 . 50448 1 121 . 1 . 1 13 13 GLU HB3 H 1 1.965 0.020 . 2 . . . . . 13 GLU HB3 . 50448 1 122 . 1 . 1 13 13 GLU HG2 H 1 2.147 0.020 . 2 . . . . . 13 GLU HG2 . 50448 1 123 . 1 . 1 13 13 GLU HG3 H 1 2.032 0.020 . 2 . . . . . 13 GLU HG3 . 50448 1 124 . 1 . 1 13 13 GLU C C 13 175.091 0.3 . 1 . . . . . 13 GLU C . 50448 1 125 . 1 . 1 13 13 GLU CA C 13 54.557 0.3 . 1 . . . . . 13 GLU CA . 50448 1 126 . 1 . 1 13 13 GLU CB C 13 32.879 0.3 . 1 . . . . . 13 GLU CB . 50448 1 127 . 1 . 1 13 13 GLU CG C 13 35.943 0.3 . 1 . . . . . 13 GLU CG . 50448 1 128 . 1 . 1 13 13 GLU N N 15 127.486 0.3 . 1 . . . . . 13 GLU N . 50448 1 129 . 1 . 1 14 14 GLU H H 1 8.806 0.020 . 1 . . . . . 14 GLU H . 50448 1 130 . 1 . 1 14 14 GLU HA H 1 4.560 0.020 . 1 . . . . . 14 GLU HA . 50448 1 131 . 1 . 1 14 14 GLU HB2 H 1 2.045 0.020 . 2 . . . . . 14 GLU HB2 . 50448 1 132 . 1 . 1 14 14 GLU HB3 H 1 1.902 0.020 . 2 . . . . . 14 GLU HB3 . 50448 1 133 . 1 . 1 14 14 GLU HG2 H 1 2.261 0.020 . 1 . . . . . 14 GLU HG2 . 50448 1 134 . 1 . 1 14 14 GLU HG3 H 1 2.261 0.020 . 1 . . . . . 14 GLU HG3 . 50448 1 135 . 1 . 1 14 14 GLU C C 13 176.987 0.3 . 1 . . . . . 14 GLU C . 50448 1 136 . 1 . 1 14 14 GLU CA C 13 56.304 0.3 . 1 . . . . . 14 GLU CA . 50448 1 137 . 1 . 1 14 14 GLU CB C 13 29.009 0.3 . 1 . . . . . 14 GLU CB . 50448 1 138 . 1 . 1 14 14 GLU CG C 13 33.851 0.3 . 1 . . . . . 14 GLU CG . 50448 1 139 . 1 . 1 14 14 GLU N N 15 125.653 0.3 . 1 . . . . . 14 GLU N . 50448 1 140 . 1 . 1 15 15 VAL H H 1 8.239 0.020 . 1 . . . . . 15 VAL H . 50448 1 141 . 1 . 1 15 15 VAL HA H 1 4.657 0.020 . 1 . . . . . 15 VAL HA . 50448 1 142 . 1 . 1 15 15 VAL HB H 1 2.289 0.020 . 1 . . . . . 15 VAL HB . 50448 1 143 . 1 . 1 15 15 VAL HG11 H 1 0.946 0.020 . 1 . . . . . 15 VAL HG1 . 50448 1 144 . 1 . 1 15 15 VAL HG12 H 1 0.946 0.020 . 1 . . . . . 15 VAL HG1 . 50448 1 145 . 1 . 1 15 15 VAL HG13 H 1 0.946 0.020 . 1 . . . . . 15 VAL HG1 . 50448 1 146 . 1 . 1 15 15 VAL HG21 H 1 0.813 0.020 . 1 . . . . . 15 VAL HG2 . 50448 1 147 . 1 . 1 15 15 VAL HG22 H 1 0.813 0.020 . 1 . . . . . 15 VAL HG2 . 50448 1 148 . 1 . 1 15 15 VAL HG23 H 1 0.813 0.020 . 1 . . . . . 15 VAL HG2 . 50448 1 149 . 1 . 1 15 15 VAL C C 13 176.858 0.3 . 1 . . . . . 15 VAL C . 50448 1 150 . 1 . 1 15 15 VAL CA C 13 60.520 0.3 . 1 . . . . . 15 VAL CA . 50448 1 151 . 1 . 1 15 15 VAL CB C 13 33.724 0.3 . 1 . . . . . 15 VAL CB . 50448 1 152 . 1 . 1 15 15 VAL CG1 C 13 22.648 0.3 . 1 . . . . . 15 VAL CG1 . 50448 1 153 . 1 . 1 15 15 VAL CG2 C 13 18.950 0.3 . 1 . . . . . 15 VAL CG2 . 50448 1 154 . 1 . 1 15 15 VAL N N 15 119.150 0.3 . 1 . . . . . 15 VAL N . 50448 1 155 . 1 . 1 16 16 THR H H 1 8.896 0.020 . 1 . . . . . 16 THR H . 50448 1 156 . 1 . 1 16 16 THR HA H 1 4.457 0.020 . 1 . . . . . 16 THR HA . 50448 1 157 . 1 . 1 16 16 THR HB H 1 4.466 0.020 . 1 . . . . . 16 THR HB . 50448 1 158 . 1 . 1 16 16 THR HG21 H 1 1.117 0.020 . 1 . . . . . 16 THR HG2 . 50448 1 159 . 1 . 1 16 16 THR HG22 H 1 1.117 0.020 . 1 . . . . . 16 THR HG2 . 50448 1 160 . 1 . 1 16 16 THR HG23 H 1 1.117 0.020 . 1 . . . . . 16 THR HG2 . 50448 1 161 . 1 . 1 16 16 THR C C 13 175.060 0.3 . 1 . . . . . 16 THR C . 50448 1 162 . 1 . 1 16 16 THR CA C 13 61.180 0.3 . 1 . . . . . 16 THR CA . 50448 1 163 . 1 . 1 16 16 THR CB C 13 68.916 0.3 . 1 . . . . . 16 THR CB . 50448 1 164 . 1 . 1 16 16 THR CG2 C 13 22.105 0.3 . 1 . . . . . 16 THR CG2 . 50448 1 165 . 1 . 1 16 16 THR N N 15 111.110 0.3 . 1 . . . . . 16 THR N . 50448 1 166 . 1 . 1 17 17 THR H H 1 7.311 0.020 . 1 . . . . . 17 THR H . 50448 1 167 . 1 . 1 17 17 THR HA H 1 4.316 0.020 . 1 . . . . . 17 THR HA . 50448 1 168 . 1 . 1 17 17 THR HB H 1 4.340 0.020 . 1 . . . . . 17 THR HB . 50448 1 169 . 1 . 1 17 17 THR HG21 H 1 1.102 0.020 . 1 . . . . . 17 THR HG2 . 50448 1 170 . 1 . 1 17 17 THR HG22 H 1 1.102 0.020 . 1 . . . . . 17 THR HG2 . 50448 1 171 . 1 . 1 17 17 THR HG23 H 1 1.102 0.020 . 1 . . . . . 17 THR HG2 . 50448 1 172 . 1 . 1 17 17 THR C C 13 174.696 0.3 . 1 . . . . . 17 THR C . 50448 1 173 . 1 . 1 17 17 THR CA C 13 59.448 0.3 . 1 . . . . . 17 THR CA . 50448 1 174 . 1 . 1 17 17 THR CB C 13 69.854 0.3 . 1 . . . . . 17 THR CB . 50448 1 175 . 1 . 1 17 17 THR CG2 C 13 22.450 0.3 . 1 . . . . . 17 THR CG2 . 50448 1 176 . 1 . 1 17 17 THR N N 15 111.860 0.3 . 1 . . . . . 17 THR N . 50448 1 177 . 1 . 1 18 18 THR H H 1 8.365 0.020 . 1 . . . . . 18 THR H . 50448 1 178 . 1 . 1 18 18 THR HA H 1 4.592 0.020 . 1 . . . . . 18 THR HA . 50448 1 179 . 1 . 1 18 18 THR HB H 1 4.572 0.020 . 1 . . . . . 18 THR HB . 50448 1 180 . 1 . 1 18 18 THR HG21 H 1 1.257 0.020 . 1 . . . . . 18 THR HG2 . 50448 1 181 . 1 . 1 18 18 THR HG22 H 1 1.257 0.020 . 1 . . . . . 18 THR HG2 . 50448 1 182 . 1 . 1 18 18 THR HG23 H 1 1.257 0.020 . 1 . . . . . 18 THR HG2 . 50448 1 183 . 1 . 1 18 18 THR C C 13 177.538 0.3 . 1 . . . . . 18 THR C . 50448 1 184 . 1 . 1 18 18 THR CA C 13 61.044 0.3 . 1 . . . . . 18 THR CA . 50448 1 185 . 1 . 1 18 18 THR CB C 13 71.287 0.3 . 1 . . . . . 18 THR CB . 50448 1 186 . 1 . 1 18 18 THR CG2 C 13 22.018 0.3 . 1 . . . . . 18 THR CG2 . 50448 1 187 . 1 . 1 18 18 THR N N 15 109.557 0.3 . 1 . . . . . 18 THR N . 50448 1 188 . 1 . 1 19 19 LEU H H 1 9.340 0.020 . 1 . . . . . 19 LEU H . 50448 1 189 . 1 . 1 19 19 LEU HA H 1 3.860 0.020 . 1 . . . . . 19 LEU HA . 50448 1 190 . 1 . 1 19 19 LEU HB2 H 1 1.556 0.020 . 1 . . . . . 19 LEU HB2 . 50448 1 191 . 1 . 1 19 19 LEU HB3 H 1 1.556 0.020 . 1 . . . . . 19 LEU HB3 . 50448 1 192 . 1 . 1 19 19 LEU HG H 1 1.429 0.020 . 1 . . . . . 19 LEU HG . 50448 1 193 . 1 . 1 19 19 LEU HD11 H 1 0.971 0.020 . 1 . . . . . 19 LEU HD1 . 50448 1 194 . 1 . 1 19 19 LEU HD12 H 1 0.971 0.020 . 1 . . . . . 19 LEU HD1 . 50448 1 195 . 1 . 1 19 19 LEU HD13 H 1 0.971 0.020 . 1 . . . . . 19 LEU HD1 . 50448 1 196 . 1 . 1 19 19 LEU HD21 H 1 0.909 0.020 . 1 . . . . . 19 LEU HD2 . 50448 1 197 . 1 . 1 19 19 LEU HD22 H 1 0.909 0.020 . 1 . . . . . 19 LEU HD2 . 50448 1 198 . 1 . 1 19 19 LEU HD23 H 1 0.909 0.020 . 1 . . . . . 19 LEU HD2 . 50448 1 199 . 1 . 1 19 19 LEU C C 13 177.968 0.3 . 1 . . . . . 19 LEU C . 50448 1 200 . 1 . 1 19 19 LEU CA C 13 59.708 0.3 . 1 . . . . . 19 LEU CA . 50448 1 201 . 1 . 1 19 19 LEU CB C 13 41.327 0.3 . 1 . . . . . 19 LEU CB . 50448 1 202 . 1 . 1 19 19 LEU CG C 13 27.566 0.3 . 1 . . . . . 19 LEU CG . 50448 1 203 . 1 . 1 19 19 LEU CD1 C 13 26.330 0.3 . 1 . . . . . 19 LEU CD1 . 50448 1 204 . 1 . 1 19 19 LEU CD2 C 13 23.890 0.3 . 1 . . . . . 19 LEU CD2 . 50448 1 205 . 1 . 1 19 19 LEU N N 15 125.867 0.3 . 1 . . . . . 19 LEU N . 50448 1 206 . 1 . 1 20 20 GLU H H 1 8.662 0.020 . 1 . . . . . 20 GLU H . 50448 1 207 . 1 . 1 20 20 GLU HA H 1 3.772 0.020 . 1 . . . . . 20 GLU HA . 50448 1 208 . 1 . 1 20 20 GLU HB2 H 1 1.927 0.020 . 2 . . . . . 20 GLU HB2 . 50448 1 209 . 1 . 1 20 20 GLU HB3 H 1 1.854 0.020 . 2 . . . . . 20 GLU HB3 . 50448 1 210 . 1 . 1 20 20 GLU HG2 H 1 2.186 0.020 . 2 . . . . . 20 GLU HG2 . 50448 1 211 . 1 . 1 20 20 GLU HG3 H 1 2.137 0.020 . 2 . . . . . 20 GLU HG3 . 50448 1 212 . 1 . 1 20 20 GLU C C 13 179.134 0.3 . 1 . . . . . 20 GLU C . 50448 1 213 . 1 . 1 20 20 GLU CA C 13 59.977 0.3 . 1 . . . . . 20 GLU CA . 50448 1 214 . 1 . 1 20 20 GLU CB C 13 29.040 0.3 . 1 . . . . . 20 GLU CB . 50448 1 215 . 1 . 1 20 20 GLU CG C 13 36.543 0.3 . 1 . . . . . 20 GLU CG . 50448 1 216 . 1 . 1 20 20 GLU N N 15 115.772 0.3 . 1 . . . . . 20 GLU N . 50448 1 217 . 1 . 1 21 21 GLU H H 1 7.486 0.020 . 1 . . . . . 21 GLU H . 50448 1 218 . 1 . 1 21 21 GLU HA H 1 3.906 0.020 . 1 . . . . . 21 GLU HA . 50448 1 219 . 1 . 1 21 21 GLU HB2 H 1 2.073 0.020 . 2 . . . . . 21 GLU HB2 . 50448 1 220 . 1 . 1 21 21 GLU HB3 H 1 1.935 0.020 . 2 . . . . . 21 GLU HB3 . 50448 1 221 . 1 . 1 21 21 GLU HG2 H 1 2.191 0.020 . 2 . . . . . 21 GLU HG2 . 50448 1 222 . 1 . 1 21 21 GLU HG3 H 1 2.146 0.020 . 2 . . . . . 21 GLU HG3 . 50448 1 223 . 1 . 1 21 21 GLU C C 13 178.967 0.3 . 1 . . . . . 21 GLU C . 50448 1 224 . 1 . 1 21 21 GLU CA C 13 57.969 0.3 . 1 . . . . . 21 GLU CA . 50448 1 225 . 1 . 1 21 21 GLU CB C 13 30.571 0.3 . 1 . . . . . 21 GLU CB . 50448 1 226 . 1 . 1 21 21 GLU CG C 13 37.175 0.3 . 1 . . . . . 21 GLU CG . 50448 1 227 . 1 . 1 21 21 GLU N N 15 116.838 0.3 . 1 . . . . . 21 GLU N . 50448 1 228 . 1 . 1 22 22 THR H H 1 8.279 0.020 . 1 . . . . . 22 THR H . 50448 1 229 . 1 . 1 22 22 THR HA H 1 3.833 0.020 . 1 . . . . . 22 THR HA . 50448 1 230 . 1 . 1 22 22 THR HB H 1 4.103 0.020 . 1 . . . . . 22 THR HB . 50448 1 231 . 1 . 1 22 22 THR HG21 H 1 1.092 0.020 . 1 . . . . . 22 THR HG2 . 50448 1 232 . 1 . 1 22 22 THR HG22 H 1 1.092 0.020 . 1 . . . . . 22 THR HG2 . 50448 1 233 . 1 . 1 22 22 THR HG23 H 1 1.092 0.020 . 1 . . . . . 22 THR HG2 . 50448 1 234 . 1 . 1 22 22 THR C C 13 178.914 0.3 . 1 . . . . . 22 THR C . 50448 1 235 . 1 . 1 22 22 THR CA C 13 65.544 0.3 . 1 . . . . . 22 THR CA . 50448 1 236 . 1 . 1 22 22 THR CB C 13 68.893 0.3 . 1 . . . . . 22 THR CB . 50448 1 237 . 1 . 1 22 22 THR CG2 C 13 22.721 0.3 . 1 . . . . . 22 THR CG2 . 50448 1 238 . 1 . 1 22 22 THR N N 15 117.363 0.3 . 1 . . . . . 22 THR N . 50448 1 239 . 1 . 1 23 23 LYS H H 1 7.440 0.020 . 1 . . . . . 23 LYS H . 50448 1 240 . 1 . 1 23 23 LYS HA H 1 4.473 0.020 . 1 . . . . . 23 LYS HA . 50448 1 241 . 1 . 1 23 23 LYS HB2 H 1 1.631 0.020 . 1 . . . . . 23 LYS HB2 . 50448 1 242 . 1 . 1 23 23 LYS HB3 H 1 1.631 0.020 . 1 . . . . . 23 LYS HB3 . 50448 1 243 . 1 . 1 23 23 LYS HG2 H 1 1.603 0.020 . 1 . . . . . 23 LYS HG2 . 50448 1 244 . 1 . 1 23 23 LYS HG3 H 1 1.603 0.020 . 1 . . . . . 23 LYS HG3 . 50448 1 245 . 1 . 1 23 23 LYS HD2 H 1 1.544 0.020 . 1 . . . . . 23 LYS HD2 . 50448 1 246 . 1 . 1 23 23 LYS HD3 H 1 1.544 0.020 . 1 . . . . . 23 LYS HD3 . 50448 1 247 . 1 . 1 23 23 LYS HE2 H 1 2.895 0.020 . 1 . . . . . 23 LYS HE2 . 50448 1 248 . 1 . 1 23 23 LYS HE3 H 1 2.895 0.020 . 1 . . . . . 23 LYS HE3 . 50448 1 249 . 1 . 1 23 23 LYS C C 13 176.593 0.3 . 1 . . . . . 23 LYS C . 50448 1 250 . 1 . 1 23 23 LYS CA C 13 57.487 0.3 . 1 . . . . . 23 LYS CA . 50448 1 251 . 1 . 1 23 23 LYS CB C 13 32.260 0.3 . 1 . . . . . 23 LYS CB . 50448 1 252 . 1 . 1 23 23 LYS CG C 13 25.892 0.3 . 1 . . . . . 23 LYS CG . 50448 1 253 . 1 . 1 23 23 LYS CD C 13 30.052 0.3 . 1 . . . . . 23 LYS CD . 50448 1 254 . 1 . 1 23 23 LYS CE C 13 41.981 0.3 . 1 . . . . . 23 LYS CE . 50448 1 255 . 1 . 1 23 23 LYS N N 15 120.167 0.3 . 1 . . . . . 23 LYS N . 50448 1 256 . 1 . 1 24 24 PHE H H 1 7.308 0.020 . 1 . . . . . 24 PHE H . 50448 1 257 . 1 . 1 24 24 PHE HA H 1 4.192 0.020 . 1 . . . . . 24 PHE HA . 50448 1 258 . 1 . 1 24 24 PHE HB2 H 1 2.977 0.020 . 2 . . . . . 24 PHE HB2 . 50448 1 259 . 1 . 1 24 24 PHE HB3 H 1 2.952 0.020 . 2 . . . . . 24 PHE HB3 . 50448 1 260 . 1 . 1 24 24 PHE C C 13 177.244 0.3 . 1 . . . . . 24 PHE C . 50448 1 261 . 1 . 1 24 24 PHE CA C 13 59.426 0.3 . 1 . . . . . 24 PHE CA . 50448 1 262 . 1 . 1 24 24 PHE CB C 13 38.232 0.3 . 1 . . . . . 24 PHE CB . 50448 1 263 . 1 . 1 24 24 PHE N N 15 116.814 0.3 . 1 . . . . . 24 PHE N . 50448 1 264 . 1 . 1 25 25 LEU H H 1 7.865 0.020 . 1 . . . . . 25 LEU H . 50448 1 265 . 1 . 1 25 25 LEU HA H 1 3.797 0.020 . 1 . . . . . 25 LEU HA . 50448 1 266 . 1 . 1 25 25 LEU HB2 H 1 1.374 0.020 . 2 . . . . . 25 LEU HB2 . 50448 1 267 . 1 . 1 25 25 LEU HB3 H 1 0.701 0.020 . 2 . . . . . 25 LEU HB3 . 50448 1 268 . 1 . 1 25 25 LEU HG H 1 0.965 0.020 . 1 . . . . . 25 LEU HG . 50448 1 269 . 1 . 1 25 25 LEU HD11 H 1 0.139 0.020 . 2 . . . . . 25 LEU HD1 . 50448 1 270 . 1 . 1 25 25 LEU HD12 H 1 0.139 0.020 . 2 . . . . . 25 LEU HD1 . 50448 1 271 . 1 . 1 25 25 LEU HD13 H 1 0.139 0.020 . 2 . . . . . 25 LEU HD1 . 50448 1 272 . 1 . 1 25 25 LEU HD21 H 1 0.383 0.020 . 2 . . . . . 25 LEU HD2 . 50448 1 273 . 1 . 1 25 25 LEU HD22 H 1 0.383 0.020 . 2 . . . . . 25 LEU HD2 . 50448 1 274 . 1 . 1 25 25 LEU HD23 H 1 0.383 0.020 . 2 . . . . . 25 LEU HD2 . 50448 1 275 . 1 . 1 25 25 LEU C C 13 177.467 0.3 . 1 . . . . . 25 LEU C . 50448 1 276 . 1 . 1 25 25 LEU CA C 13 56.604 0.3 . 1 . . . . . 25 LEU CA . 50448 1 277 . 1 . 1 25 25 LEU CB C 13 41.946 0.3 . 1 . . . . . 25 LEU CB . 50448 1 278 . 1 . 1 25 25 LEU CG C 13 26.331 0.3 . 1 . . . . . 25 LEU CG . 50448 1 279 . 1 . 1 25 25 LEU CD1 C 13 24.305 0.3 . 1 . . . . . 25 LEU CD1 . 50448 1 280 . 1 . 1 25 25 LEU CD2 C 13 22.606 0.3 . 1 . . . . . 25 LEU CD2 . 50448 1 281 . 1 . 1 25 25 LEU N N 15 120.017 0.3 . 1 . . . . . 25 LEU N . 50448 1 282 . 1 . 1 26 26 THR H H 1 6.863 0.020 . 1 . . . . . 26 THR H . 50448 1 283 . 1 . 1 26 26 THR HA H 1 4.173 0.020 . 1 . . . . . 26 THR HA . 50448 1 284 . 1 . 1 26 26 THR HB H 1 4.218 0.020 . 1 . . . . . 26 THR HB . 50448 1 285 . 1 . 1 26 26 THR HG21 H 1 0.858 0.020 . 1 . . . . . 26 THR HG2 . 50448 1 286 . 1 . 1 26 26 THR HG22 H 1 0.858 0.020 . 1 . . . . . 26 THR HG2 . 50448 1 287 . 1 . 1 26 26 THR HG23 H 1 0.858 0.020 . 1 . . . . . 26 THR HG2 . 50448 1 288 . 1 . 1 26 26 THR C C 13 169.505 0.3 . 1 . . . . . 26 THR C . 50448 1 289 . 1 . 1 26 26 THR CA C 13 60.092 0.3 . 1 . . . . . 26 THR CA . 50448 1 290 . 1 . 1 26 26 THR CB C 13 67.169 0.3 . 1 . . . . . 26 THR CB . 50448 1 291 . 1 . 1 26 26 THR CG2 C 13 19.171 0.3 . 1 . . . . . 26 THR CG2 . 50448 1 292 . 1 . 1 26 26 THR N N 15 112.121 0.3 . 1 . . . . . 26 THR N . 50448 1 293 . 1 . 1 27 27 GLU H H 1 8.003 0.020 . 1 . . . . . 27 GLU H . 50448 1 294 . 1 . 1 27 27 GLU HA H 1 4.239 0.020 . 1 . . . . . 27 GLU HA . 50448 1 295 . 1 . 1 27 27 GLU HB2 H 1 2.120 0.020 . 2 . . . . . 27 GLU HB2 . 50448 1 296 . 1 . 1 27 27 GLU HB3 H 1 1.715 0.020 . 2 . . . . . 27 GLU HB3 . 50448 1 297 . 1 . 1 27 27 GLU HG2 H 1 2.203 0.020 . 2 . . . . . 27 GLU HG2 . 50448 1 298 . 1 . 1 27 27 GLU HG3 H 1 2.072 0.020 . 2 . . . . . 27 GLU HG3 . 50448 1 299 . 1 . 1 27 27 GLU C C 13 175.899 0.3 . 1 . . . . . 27 GLU C . 50448 1 300 . 1 . 1 27 27 GLU CA C 13 55.945 0.3 . 1 . . . . . 27 GLU CA . 50448 1 301 . 1 . 1 27 27 GLU CB C 13 30.909 0.3 . 1 . . . . . 27 GLU CB . 50448 1 302 . 1 . 1 27 27 GLU CG C 13 37.020 0.3 . 1 . . . . . 27 GLU CG . 50448 1 303 . 1 . 1 27 27 GLU N N 15 120.939 0.3 . 1 . . . . . 27 GLU N . 50448 1 304 . 1 . 1 28 28 ASN H H 1 7.982 0.020 . 1 . . . . . 28 ASN H . 50448 1 305 . 1 . 1 28 28 ASN HA H 1 4.994 0.020 . 1 . . . . . 28 ASN HA . 50448 1 306 . 1 . 1 28 28 ASN HB2 H 1 3.237 0.020 . 2 . . . . . 28 ASN HB2 . 50448 1 307 . 1 . 1 28 28 ASN HB3 H 1 2.772 0.020 . 2 . . . . . 28 ASN HB3 . 50448 1 308 . 1 . 1 28 28 ASN C C 13 175.131 0.3 . 1 . . . . . 28 ASN C . 50448 1 309 . 1 . 1 28 28 ASN CA C 13 53.441 0.3 . 1 . . . . . 28 ASN CA . 50448 1 310 . 1 . 1 28 28 ASN CB C 13 38.586 0.3 . 1 . . . . . 28 ASN CB . 50448 1 311 . 1 . 1 28 28 ASN N N 15 118.128 0.3 . 1 . . . . . 28 ASN N . 50448 1 312 . 1 . 1 29 29 LEU H H 1 8.218 0.020 . 1 . . . . . 29 LEU H . 50448 1 313 . 1 . 1 29 29 LEU HA H 1 5.436 0.020 . 1 . . . . . 29 LEU HA . 50448 1 314 . 1 . 1 29 29 LEU HB2 H 1 1.734 0.020 . 2 . . . . . 29 LEU HB2 . 50448 1 315 . 1 . 1 29 29 LEU HB3 H 1 1.149 0.020 . 2 . . . . . 29 LEU HB3 . 50448 1 316 . 1 . 1 29 29 LEU HG H 1 0.777 0.020 . 1 . . . . . 29 LEU HG . 50448 1 317 . 1 . 1 29 29 LEU HD11 H 1 0.773 0.020 . 2 . . . . . 29 LEU HD1 . 50448 1 318 . 1 . 1 29 29 LEU HD12 H 1 0.773 0.020 . 2 . . . . . 29 LEU HD1 . 50448 1 319 . 1 . 1 29 29 LEU HD13 H 1 0.773 0.020 . 2 . . . . . 29 LEU HD1 . 50448 1 320 . 1 . 1 29 29 LEU HD21 H 1 0.744 0.020 . 2 . . . . . 29 LEU HD2 . 50448 1 321 . 1 . 1 29 29 LEU HD22 H 1 0.744 0.020 . 2 . . . . . 29 LEU HD2 . 50448 1 322 . 1 . 1 29 29 LEU HD23 H 1 0.744 0.020 . 2 . . . . . 29 LEU HD2 . 50448 1 323 . 1 . 1 29 29 LEU C C 13 175.793 0.3 . 1 . . . . . 29 LEU C . 50448 1 324 . 1 . 1 29 29 LEU CA C 13 53.268 0.3 . 1 . . . . . 29 LEU CA . 50448 1 325 . 1 . 1 29 29 LEU CB C 13 44.961 0.3 . 1 . . . . . 29 LEU CB . 50448 1 326 . 1 . 1 29 29 LEU CG C 13 26.454 0.3 . 1 . . . . . 29 LEU CG . 50448 1 327 . 1 . 1 29 29 LEU CD1 C 13 26.125 0.3 . 1 . . . . . 29 LEU CD1 . 50448 1 328 . 1 . 1 29 29 LEU CD2 C 13 24.879 0.3 . 1 . . . . . 29 LEU CD2 . 50448 1 329 . 1 . 1 29 29 LEU N N 15 121.433 0.3 . 1 . . . . . 29 LEU N . 50448 1 330 . 1 . 1 30 30 LEU H H 1 8.614 0.020 . 1 . . . . . 30 LEU H . 50448 1 331 . 1 . 1 30 30 LEU HA H 1 5.090 0.020 . 1 . . . . . 30 LEU HA . 50448 1 332 . 1 . 1 30 30 LEU HB2 H 1 0.614 0.020 . 2 . . . . . 30 LEU HB2 . 50448 1 333 . 1 . 1 30 30 LEU HB3 H 1 1.337 0.020 . 2 . . . . . 30 LEU HB3 . 50448 1 334 . 1 . 1 30 30 LEU HG H 1 0.485 0.020 . 1 . . . . . 30 LEU HG . 50448 1 335 . 1 . 1 30 30 LEU HD11 H 1 0.298 0.020 . 2 . . . . . 30 LEU HD1 . 50448 1 336 . 1 . 1 30 30 LEU HD12 H 1 0.298 0.020 . 2 . . . . . 30 LEU HD1 . 50448 1 337 . 1 . 1 30 30 LEU HD13 H 1 0.298 0.020 . 2 . . . . . 30 LEU HD1 . 50448 1 338 . 1 . 1 30 30 LEU HD21 H 1 0.307 0.020 . 2 . . . . . 30 LEU HD2 . 50448 1 339 . 1 . 1 30 30 LEU HD22 H 1 0.307 0.020 . 2 . . . . . 30 LEU HD2 . 50448 1 340 . 1 . 1 30 30 LEU HD23 H 1 0.307 0.020 . 2 . . . . . 30 LEU HD2 . 50448 1 341 . 1 . 1 30 30 LEU C C 13 174.576 0.3 . 1 . . . . . 30 LEU C . 50448 1 342 . 1 . 1 30 30 LEU CA C 13 53.209 0.3 . 1 . . . . . 30 LEU CA . 50448 1 343 . 1 . 1 30 30 LEU CB C 13 41.964 0.3 . 1 . . . . . 30 LEU CB . 50448 1 344 . 1 . 1 30 30 LEU CG C 13 26.832 0.3 . 1 . . . . . 30 LEU CG . 50448 1 345 . 1 . 1 30 30 LEU CD1 C 13 23.928 0.3 . 1 . . . . . 30 LEU CD1 . 50448 1 346 . 1 . 1 30 30 LEU CD2 C 13 23.703 0.3 . 1 . . . . . 30 LEU CD2 . 50448 1 347 . 1 . 1 30 30 LEU N N 15 122.608 0.3 . 1 . . . . . 30 LEU N . 50448 1 348 . 1 . 1 31 31 LEU H H 1 9.606 0.020 . 1 . . . . . 31 LEU H . 50448 1 349 . 1 . 1 31 31 LEU HA H 1 4.011 0.020 . 1 . . . . . 31 LEU HA . 50448 1 350 . 1 . 1 31 31 LEU HB2 H 1 1.409 0.020 . 2 . . . . . 31 LEU HB2 . 50448 1 351 . 1 . 1 31 31 LEU HB3 H 1 1.258 0.020 . 2 . . . . . 31 LEU HB3 . 50448 1 352 . 1 . 1 31 31 LEU HG H 1 0.766 0.020 . 1 . . . . . 31 LEU HG . 50448 1 353 . 1 . 1 31 31 LEU HD11 H 1 0.751 0.020 . 2 . . . . . 31 LEU HD1 . 50448 1 354 . 1 . 1 31 31 LEU HD12 H 1 0.751 0.020 . 2 . . . . . 31 LEU HD1 . 50448 1 355 . 1 . 1 31 31 LEU HD13 H 1 0.751 0.020 . 2 . . . . . 31 LEU HD1 . 50448 1 356 . 1 . 1 31 31 LEU HD21 H 1 0.739 0.020 . 2 . . . . . 31 LEU HD2 . 50448 1 357 . 1 . 1 31 31 LEU HD22 H 1 0.739 0.020 . 2 . . . . . 31 LEU HD2 . 50448 1 358 . 1 . 1 31 31 LEU HD23 H 1 0.739 0.020 . 2 . . . . . 31 LEU HD2 . 50448 1 359 . 1 . 1 31 31 LEU C C 13 173.435 0.3 . 1 . . . . . 31 LEU C . 50448 1 360 . 1 . 1 31 31 LEU CA C 13 51.817 0.3 . 1 . . . . . 31 LEU CA . 50448 1 361 . 1 . 1 31 31 LEU CB C 13 43.586 0.3 . 1 . . . . . 31 LEU CB . 50448 1 362 . 1 . 1 31 31 LEU CG C 13 27.067 0.3 . 1 . . . . . 31 LEU CG . 50448 1 363 . 1 . 1 31 31 LEU CD1 C 13 26.218 0.3 . 1 . . . . . 31 LEU CD1 . 50448 1 364 . 1 . 1 31 31 LEU CD2 C 13 22.956 0.3 . 1 . . . . . 31 LEU CD2 . 50448 1 365 . 1 . 1 31 31 LEU N N 15 128.784 0.3 . 1 . . . . . 31 LEU N . 50448 1 366 . 1 . 1 32 32 TYR H H 1 8.444 0.020 . 1 . . . . . 32 TYR H . 50448 1 367 . 1 . 1 32 32 TYR HA H 1 5.358 0.020 . 1 . . . . . 32 TYR HA . 50448 1 368 . 1 . 1 32 32 TYR HB2 H 1 2.763 0.020 . 2 . . . . . 32 TYR HB2 . 50448 1 369 . 1 . 1 32 32 TYR HB3 H 1 2.468 0.020 . 2 . . . . . 32 TYR HB3 . 50448 1 370 . 1 . 1 32 32 TYR C C 13 174.945 0.3 . 1 . . . . . 32 TYR C . 50448 1 371 . 1 . 1 32 32 TYR CA C 13 56.017 0.3 . 1 . . . . . 32 TYR CA . 50448 1 372 . 1 . 1 32 32 TYR CB C 13 39.984 0.3 . 1 . . . . . 32 TYR CB . 50448 1 373 . 1 . 1 32 32 TYR N N 15 118.685 0.3 . 1 . . . . . 32 TYR N . 50448 1 374 . 1 . 1 33 33 ILE H H 1 8.295 0.020 . 1 . . . . . 33 ILE H . 50448 1 375 . 1 . 1 33 33 ILE HA H 1 5.381 0.020 . 1 . . . . . 33 ILE HA . 50448 1 376 . 1 . 1 33 33 ILE HB H 1 1.621 0.020 . 1 . . . . . 33 ILE HB . 50448 1 377 . 1 . 1 33 33 ILE HG12 H 1 1.095 0.020 . 1 . . . . . 33 ILE HG12 . 50448 1 378 . 1 . 1 33 33 ILE HG13 H 1 1.095 0.020 . 1 . . . . . 33 ILE HG13 . 50448 1 379 . 1 . 1 33 33 ILE HG21 H 1 0.54 0.020 . 1 . . . . . 33 ILE HG2 . 50448 1 380 . 1 . 1 33 33 ILE HG22 H 1 0.54 0.020 . 1 . . . . . 33 ILE HG2 . 50448 1 381 . 1 . 1 33 33 ILE HG23 H 1 0.54 0.020 . 1 . . . . . 33 ILE HG2 . 50448 1 382 . 1 . 1 33 33 ILE HD11 H 1 0.18 0.020 . 1 . . . . . 33 ILE HD1 . 50448 1 383 . 1 . 1 33 33 ILE HD12 H 1 0.18 0.020 . 1 . . . . . 33 ILE HD1 . 50448 1 384 . 1 . 1 33 33 ILE HD13 H 1 0.18 0.020 . 1 . . . . . 33 ILE HD1 . 50448 1 385 . 1 . 1 33 33 ILE C C 13 175.462 0.3 . 1 . . . . . 33 ILE C . 50448 1 386 . 1 . 1 33 33 ILE CA C 13 58.032 0.3 . 1 . . . . . 33 ILE CA . 50448 1 387 . 1 . 1 33 33 ILE CB C 13 43.411 0.3 . 1 . . . . . 33 ILE CB . 50448 1 388 . 1 . 1 33 33 ILE CG1 C 13 25.265 0.3 . 1 . . . . . 33 ILE CG1 . 50448 1 389 . 1 . 1 33 33 ILE CG2 C 13 19.55 0.3 . 1 . . . . . 33 ILE CG2 . 50448 1 390 . 1 . 1 33 33 ILE CD1 C 13 13.64 0.3 . 1 . . . . . 33 ILE CD1 . 50448 1 391 . 1 . 1 33 33 ILE N N 15 114.494 0.3 . 1 . . . . . 33 ILE N . 50448 1 392 . 1 . 1 34 34 ASP H H 1 7.709 0.020 . 1 . . . . . 34 ASP H . 50448 1 393 . 1 . 1 34 34 ASP HA H 1 5.049 0.020 . 1 . . . . . 34 ASP HA . 50448 1 394 . 1 . 1 34 34 ASP HB2 H 1 3.393 0.020 . 2 . . . . . 34 ASP HB2 . 50448 1 395 . 1 . 1 34 34 ASP HB3 H 1 2.842 0.020 . 2 . . . . . 34 ASP HB3 . 50448 1 396 . 1 . 1 34 34 ASP C C 13 178.997 0.3 . 1 . . . . . 34 ASP C . 50448 1 397 . 1 . 1 34 34 ASP CA C 13 51.573 0.3 . 1 . . . . . 34 ASP CA . 50448 1 398 . 1 . 1 34 34 ASP CB C 13 42.563 0.3 . 1 . . . . . 34 ASP CB . 50448 1 399 . 1 . 1 34 34 ASP N N 15 118.649 0.3 . 1 . . . . . 34 ASP N . 50448 1 400 . 1 . 1 35 35 ILE H H 1 7.490 0.020 . 1 . . . . . 35 ILE H . 50448 1 401 . 1 . 1 35 35 ILE HA H 1 3.811 0.020 . 1 . . . . . 35 ILE HA . 50448 1 402 . 1 . 1 35 35 ILE HB H 1 2.242 0.020 . 1 . . . . . 35 ILE HB . 50448 1 403 . 1 . 1 35 35 ILE HG12 H 1 1.246 0.020 . 2 . . . . . 35 ILE HG12 . 50448 1 404 . 1 . 1 35 35 ILE HG13 H 1 1.271 0.020 . 2 . . . . . 35 ILE HG13 . 50448 1 405 . 1 . 1 35 35 ILE HG21 H 1 0.90 0.020 . 1 . . . . . 35 ILE HG2 . 50448 1 406 . 1 . 1 35 35 ILE HG22 H 1 0.90 0.020 . 1 . . . . . 35 ILE HG2 . 50448 1 407 . 1 . 1 35 35 ILE HG23 H 1 0.90 0.020 . 1 . . . . . 35 ILE HG2 . 50448 1 408 . 1 . 1 35 35 ILE HD11 H 1 0.81 0.020 . 1 . . . . . 35 ILE HD1 . 50448 1 409 . 1 . 1 35 35 ILE HD12 H 1 0.81 0.020 . 1 . . . . . 35 ILE HD1 . 50448 1 410 . 1 . 1 35 35 ILE HD13 H 1 0.81 0.020 . 1 . . . . . 35 ILE HD1 . 50448 1 411 . 1 . 1 35 35 ILE C C 13 175.626 0.3 . 1 . . . . . 35 ILE C . 50448 1 412 . 1 . 1 35 35 ILE CA C 13 64.823 0.3 . 1 . . . . . 35 ILE CA . 50448 1 413 . 1 . 1 35 35 ILE CB C 13 38.052 0.3 . 1 . . . . . 35 ILE CB . 50448 1 414 . 1 . 1 35 35 ILE CG1 C 13 25.600 0.3 . 1 . . . . . 35 ILE CG1 . 50448 1 415 . 1 . 1 35 35 ILE CG2 C 13 18.57 0.3 . 1 . . . . . 35 ILE CG2 . 50448 1 416 . 1 . 1 35 35 ILE CD1 C 13 14.43 0.3 . 1 . . . . . 35 ILE CD1 . 50448 1 417 . 1 . 1 35 35 ILE N N 15 109.882 0.3 . 1 . . . . . 35 ILE N . 50448 1 418 . 1 . 1 36 36 ASN H H 1 7.949 0.020 . 1 . . . . . 36 ASN H . 50448 1 419 . 1 . 1 36 36 ASN HA H 1 4.918 0.020 . 1 . . . . . 36 ASN HA . 50448 1 420 . 1 . 1 36 36 ASN HB2 H 1 2.810 0.020 . 2 . . . . . 36 ASN HB2 . 50448 1 421 . 1 . 1 36 36 ASN HB3 H 1 2.497 0.020 . 2 . . . . . 36 ASN HB3 . 50448 1 422 . 1 . 1 36 36 ASN C C 13 175.620 0.3 . 1 . . . . . 36 ASN C . 50448 1 423 . 1 . 1 36 36 ASN CA C 13 53.230 0.3 . 1 . . . . . 36 ASN CA . 50448 1 424 . 1 . 1 36 36 ASN CB C 13 40.278 0.3 . 1 . . . . . 36 ASN CB . 50448 1 425 . 1 . 1 36 36 ASN N N 15 115.588 0.3 . 1 . . . . . 36 ASN N . 50448 1 426 . 1 . 1 37 37 GLY H H 1 8.525 0.020 . 1 . . . . . 37 GLY H . 50448 1 427 . 1 . 1 37 37 GLY HA2 H 1 4.000 0.020 . 2 . . . . . 37 GLY HA1 . 50448 1 428 . 1 . 1 37 37 GLY HA3 H 1 3.458 0.020 . 2 . . . . . 37 GLY HA2 . 50448 1 429 . 1 . 1 37 37 GLY C C 13 172.406 0.3 . 1 . . . . . 37 GLY C . 50448 1 430 . 1 . 1 37 37 GLY CA C 13 46.317 0.3 . 1 . . . . . 37 GLY CA . 50448 1 431 . 1 . 1 37 37 GLY N N 15 107.601 0.3 . 1 . . . . . 37 GLY N . 50448 1 432 . 1 . 1 38 38 ASN H H 1 8.553 0.020 . 1 . . . . . 38 ASN H . 50448 1 433 . 1 . 1 38 38 ASN HA H 1 4.330 0.020 . 1 . . . . . 38 ASN HA . 50448 1 434 . 1 . 1 38 38 ASN HB2 H 1 2.753 0.020 . 2 . . . . . 38 ASN HB2 . 50448 1 435 . 1 . 1 38 38 ASN HB3 H 1 2.430 0.020 . 2 . . . . . 38 ASN HB3 . 50448 1 436 . 1 . 1 38 38 ASN C C 13 175.976 0.3 . 1 . . . . . 38 ASN C . 50448 1 437 . 1 . 1 38 38 ASN CA C 13 53.428 0.3 . 1 . . . . . 38 ASN CA . 50448 1 438 . 1 . 1 38 38 ASN CB C 13 38.356 0.3 . 1 . . . . . 38 ASN CB . 50448 1 439 . 1 . 1 38 38 ASN N N 15 117.449 0.3 . 1 . . . . . 38 ASN N . 50448 1 440 . 1 . 1 39 39 LEU H H 1 8.717 0.020 . 1 . . . . . 39 LEU H . 50448 1 441 . 1 . 1 39 39 LEU HA H 1 4.296 0.020 . 1 . . . . . 39 LEU HA . 50448 1 442 . 1 . 1 39 39 LEU HB2 H 1 1.499 0.020 . 2 . . . . . 39 LEU HB2 . 50448 1 443 . 1 . 1 39 39 LEU HB3 H 1 1.319 0.020 . 2 . . . . . 39 LEU HB3 . 50448 1 444 . 1 . 1 39 39 LEU HG H 1 0.784 0.020 . 1 . . . . . 39 LEU HG . 50448 1 445 . 1 . 1 39 39 LEU HD11 H 1 0.695 0.020 . 2 . . . . . 39 LEU HD1 . 50448 1 446 . 1 . 1 39 39 LEU HD12 H 1 0.695 0.020 . 2 . . . . . 39 LEU HD1 . 50448 1 447 . 1 . 1 39 39 LEU HD13 H 1 0.695 0.020 . 2 . . . . . 39 LEU HD1 . 50448 1 448 . 1 . 1 39 39 LEU HD21 H 1 0.685 0.020 . 2 . . . . . 39 LEU HD2 . 50448 1 449 . 1 . 1 39 39 LEU HD22 H 1 0.685 0.020 . 2 . . . . . 39 LEU HD2 . 50448 1 450 . 1 . 1 39 39 LEU HD23 H 1 0.685 0.020 . 2 . . . . . 39 LEU HD2 . 50448 1 451 . 1 . 1 39 39 LEU C C 13 176.509 0.3 . 1 . . . . . 39 LEU C . 50448 1 452 . 1 . 1 39 39 LEU CA C 13 55.192 0.3 . 1 . . . . . 39 LEU CA . 50448 1 453 . 1 . 1 39 39 LEU CB C 13 42.816 0.3 . 1 . . . . . 39 LEU CB . 50448 1 454 . 1 . 1 39 39 LEU CG C 13 26.554 0.3 . 1 . . . . . 39 LEU CG . 50448 1 455 . 1 . 1 39 39 LEU CD1 C 13 24.666 0.3 . 1 . . . . . 39 LEU CD1 . 50448 1 456 . 1 . 1 39 39 LEU CD2 C 13 24.324 0.3 . 1 . . . . . 39 LEU CD2 . 50448 1 457 . 1 . 1 39 39 LEU N N 15 125.610 0.3 . 1 . . . . . 39 LEU N . 50448 1 458 . 1 . 1 40 40 HIS H H 1 9.087 0.020 . 1 . . . . . 40 HIS H . 50448 1 459 . 1 . 1 40 40 HIS HA H 1 4.367 0.020 . 1 . . . . . 40 HIS HA . 50448 1 460 . 1 . 1 40 40 HIS HB2 H 1 3.065 0.020 . 2 . . . . . 40 HIS HB2 . 50448 1 461 . 1 . 1 40 40 HIS HB3 H 1 3.108 0.020 . 2 . . . . . 40 HIS HB3 . 50448 1 462 . 1 . 1 40 40 HIS C C 13 175.035 0.3 . 1 . . . . . 40 HIS C . 50448 1 463 . 1 . 1 40 40 HIS CA C 13 57.046 0.3 . 1 . . . . . 40 HIS CA . 50448 1 464 . 1 . 1 40 40 HIS CB C 13 32.268 0.3 . 1 . . . . . 40 HIS CB . 50448 1 465 . 1 . 1 40 40 HIS N N 15 129.737 0.3 . 1 . . . . . 40 HIS N . 50448 1 466 . 1 . 1 41 41 PRO HA H 1 4.148 0.020 . 1 . . . . . 41 PRO HA . 50448 1 467 . 1 . 1 41 41 PRO HB2 H 1 1.835 0.020 . 2 . . . . . 41 PRO HB2 . 50448 1 468 . 1 . 1 41 41 PRO HB3 H 1 2.245 0.020 . 2 . . . . . 41 PRO HB3 . 50448 1 469 . 1 . 1 41 41 PRO HG2 H 1 1.800 0.020 . 1 . . . . . 41 PRO HG2 . 50448 1 470 . 1 . 1 41 41 PRO HG3 H 1 1.800 0.020 . 1 . . . . . 41 PRO HG3 . 50448 1 471 . 1 . 1 41 41 PRO HD2 H 1 2.093 0.020 . 1 . . . . . 41 PRO HD2 . 50448 1 472 . 1 . 1 41 41 PRO HD3 H 1 3.48 0.020 . 1 . . . . . 41 PRO HD3 . 50448 1 473 . 1 . 1 41 41 PRO C C 13 179.245 0.3 . 1 . . . . . 41 PRO C . 50448 1 474 . 1 . 1 41 41 PRO CA C 13 65.933 0.3 . 1 . . . . . 41 PRO CA . 50448 1 475 . 1 . 1 41 41 PRO CB C 13 32.440 0.3 . 1 . . . . . 41 PRO CB . 50448 1 476 . 1 . 1 41 41 PRO CG C 13 27.943 0.3 . 1 . . . . . 41 PRO CG . 50448 1 477 . 1 . 1 41 41 PRO CD C 13 50.311 0.3 . 1 . . . . . 41 PRO CD . 50448 1 478 . 1 . 1 42 42 ASP H H 1 11.003 0.020 . 1 . . . . . 42 ASP H . 50448 1 479 . 1 . 1 42 42 ASP HA H 1 4.549 0.020 . 1 . . . . . 42 ASP HA . 50448 1 480 . 1 . 1 42 42 ASP HB2 H 1 3.040 0.020 . 2 . . . . . 42 ASP HB2 . 50448 1 481 . 1 . 1 42 42 ASP HB3 H 1 2.680 0.020 . 2 . . . . . 42 ASP HB3 . 50448 1 482 . 1 . 1 42 42 ASP C C 13 179.834 0.3 . 1 . . . . . 42 ASP C . 50448 1 483 . 1 . 1 42 42 ASP CA C 13 57.437 0.3 . 1 . . . . . 42 ASP CA . 50448 1 484 . 1 . 1 42 42 ASP CB C 13 40.012 0.3 . 1 . . . . . 42 ASP CB . 50448 1 485 . 1 . 1 42 42 ASP N N 15 119.800 0.3 . 1 . . . . . 42 ASP N . 50448 1 486 . 1 . 1 43 43 SER H H 1 7.565 0.020 . 1 . . . . . 43 SER H . 50448 1 487 . 1 . 1 43 43 SER HA H 1 4.087 0.020 . 1 . . . . . 43 SER HA . 50448 1 488 . 1 . 1 43 43 SER HB2 H 1 3.770 0.020 . 2 . . . . . 43 SER HB2 . 50448 1 489 . 1 . 1 43 43 SER HB3 H 1 3.817 0.020 . 2 . . . . . 43 SER HB3 . 50448 1 490 . 1 . 1 43 43 SER C C 13 175.999 0.3 . 1 . . . . . 43 SER C . 50448 1 491 . 1 . 1 43 43 SER CA C 13 60.754 0.3 . 1 . . . . . 43 SER CA . 50448 1 492 . 1 . 1 43 43 SER CB C 13 63.930 0.3 . 1 . . . . . 43 SER CB . 50448 1 493 . 1 . 1 43 43 SER N N 15 116.478 0.3 . 1 . . . . . 43 SER N . 50448 1 494 . 1 . 1 44 44 ALA H H 1 8.223 0.020 . 1 . . . . . 44 ALA H . 50448 1 495 . 1 . 1 44 44 ALA HA H 1 3.962 0.020 . 1 . . . . . 44 ALA HA . 50448 1 496 . 1 . 1 44 44 ALA HB1 H 1 1.378 0.020 . 1 . . . . . 44 ALA HB . 50448 1 497 . 1 . 1 44 44 ALA HB2 H 1 1.378 0.020 . 1 . . . . . 44 ALA HB . 50448 1 498 . 1 . 1 44 44 ALA HB3 H 1 1.378 0.020 . 1 . . . . . 44 ALA HB . 50448 1 499 . 1 . 1 44 44 ALA C C 13 179.494 0.3 . 1 . . . . . 44 ALA C . 50448 1 500 . 1 . 1 44 44 ALA CA C 13 54.679 0.3 . 1 . . . . . 44 ALA CA . 50448 1 501 . 1 . 1 44 44 ALA CB C 13 17.582 0.3 . 1 . . . . . 44 ALA CB . 50448 1 502 . 1 . 1 44 44 ALA N N 15 121.674 0.3 . 1 . . . . . 44 ALA N . 50448 1 503 . 1 . 1 45 45 THR H H 1 7.330 0.020 . 1 . . . . . 45 THR H . 50448 1 504 . 1 . 1 45 45 THR HA H 1 4.135 0.020 . 1 . . . . . 45 THR HA . 50448 1 505 . 1 . 1 45 45 THR HB H 1 4.246 0.020 . 1 . . . . . 45 THR HB . 50448 1 506 . 1 . 1 45 45 THR HG21 H 1 1.390 0.020 . 1 . . . . . 45 THR HG2 . 50448 1 507 . 1 . 1 45 45 THR HG22 H 1 1.390 0.020 . 1 . . . . . 45 THR HG2 . 50448 1 508 . 1 . 1 45 45 THR HG23 H 1 1.390 0.020 . 1 . . . . . 45 THR HG2 . 50448 1 509 . 1 . 1 45 45 THR C C 13 175.961 0.3 . 1 . . . . . 45 THR C . 50448 1 510 . 1 . 1 45 45 THR CA C 13 64.196 0.3 . 1 . . . . . 45 THR CA . 50448 1 511 . 1 . 1 45 45 THR CB C 13 69.575 0.3 . 1 . . . . . 45 THR CB . 50448 1 512 . 1 . 1 45 45 THR CG2 C 13 21.633 0.3 . 1 . . . . . 45 THR CG2 . 50448 1 513 . 1 . 1 45 45 THR N N 15 106.911 0.3 . 1 . . . . . 45 THR N . 50448 1 514 . 1 . 1 46 46 LEU H H 1 7.596 0.020 . 1 . . . . . 46 LEU H . 50448 1 515 . 1 . 1 46 46 LEU HA H 1 4.282 0.020 . 1 . . . . . 46 LEU HA . 50448 1 516 . 1 . 1 46 46 LEU HB2 H 1 1.850 0.020 . 2 . . . . . 46 LEU HB2 . 50448 1 517 . 1 . 1 46 46 LEU HB3 H 1 1.607 0.020 . 2 . . . . . 46 LEU HB3 . 50448 1 518 . 1 . 1 46 46 LEU HG H 1 1.736 0.020 . 1 . . . . . 46 LEU HG . 50448 1 519 . 1 . 1 46 46 LEU HD11 H 1 0.850 0.020 . 2 . . . . . 46 LEU HD1 . 50448 1 520 . 1 . 1 46 46 LEU HD12 H 1 0.850 0.020 . 2 . . . . . 46 LEU HD1 . 50448 1 521 . 1 . 1 46 46 LEU HD13 H 1 0.850 0.020 . 2 . . . . . 46 LEU HD1 . 50448 1 522 . 1 . 1 46 46 LEU HD21 H 1 0.696 0.020 . 2 . . . . . 46 LEU HD2 . 50448 1 523 . 1 . 1 46 46 LEU HD22 H 1 0.696 0.020 . 2 . . . . . 46 LEU HD2 . 50448 1 524 . 1 . 1 46 46 LEU HD23 H 1 0.696 0.020 . 2 . . . . . 46 LEU HD2 . 50448 1 525 . 1 . 1 46 46 LEU C C 13 176.752 0.3 . 1 . . . . . 46 LEU C . 50448 1 526 . 1 . 1 46 46 LEU CA C 13 55.919 0.3 . 1 . . . . . 46 LEU CA . 50448 1 527 . 1 . 1 46 46 LEU CB C 13 42.539 0.3 . 1 . . . . . 46 LEU CB . 50448 1 528 . 1 . 1 46 46 LEU CG C 13 27.631 0.3 . 1 . . . . . 46 LEU CG . 50448 1 529 . 1 . 1 46 46 LEU CD1 C 13 26.287 0.3 . 1 . . . . . 46 LEU CD1 . 50448 1 530 . 1 . 1 46 46 LEU CD2 C 13 24.031 0.3 . 1 . . . . . 46 LEU CD2 . 50448 1 531 . 1 . 1 46 46 LEU N N 15 119.509 0.3 . 1 . . . . . 46 LEU N . 50448 1 532 . 1 . 1 47 47 VAL H H 1 6.766 0.020 . 1 . . . . . 47 VAL H . 50448 1 533 . 1 . 1 47 47 VAL HA H 1 4.311 0.020 . 1 . . . . . 47 VAL HA . 50448 1 534 . 1 . 1 47 47 VAL HB H 1 2.326 0.020 . 1 . . . . . 47 VAL HB . 50448 1 535 . 1 . 1 47 47 VAL HG11 H 1 0.776 0.020 . 1 . . . . . 47 VAL HG1 . 50448 1 536 . 1 . 1 47 47 VAL HG12 H 1 0.776 0.020 . 1 . . . . . 47 VAL HG1 . 50448 1 537 . 1 . 1 47 47 VAL HG13 H 1 0.776 0.020 . 1 . . . . . 47 VAL HG1 . 50448 1 538 . 1 . 1 47 47 VAL HG21 H 1 0.813 0.020 . 1 . . . . . 47 VAL HG2 . 50448 1 539 . 1 . 1 47 47 VAL HG22 H 1 0.813 0.020 . 1 . . . . . 47 VAL HG2 . 50448 1 540 . 1 . 1 47 47 VAL HG23 H 1 0.813 0.020 . 1 . . . . . 47 VAL HG2 . 50448 1 541 . 1 . 1 47 47 VAL C C 13 175.266 0.3 . 1 . . . . . 47 VAL C . 50448 1 542 . 1 . 1 47 47 VAL CA C 13 60.264 0.3 . 1 . . . . . 47 VAL CA . 50448 1 543 . 1 . 1 47 47 VAL CB C 13 32.198 0.3 . 1 . . . . . 47 VAL CB . 50448 1 544 . 1 . 1 47 47 VAL CG1 C 13 23.510 0.3 . 1 . . . . . 47 VAL CG1 . 50448 1 545 . 1 . 1 47 47 VAL CG2 C 13 19.464 0.3 . 1 . . . . . 47 VAL CG2 . 50448 1 546 . 1 . 1 47 47 VAL N N 15 106.685 0.3 . 1 . . . . . 47 VAL N . 50448 1 547 . 1 . 1 48 48 SER H H 1 7.973 0.020 . 1 . . . . . 48 SER H . 50448 1 548 . 1 . 1 48 48 SER HA H 1 4.093 0.020 . 1 . . . . . 48 SER HA . 50448 1 549 . 1 . 1 48 48 SER HB2 H 1 3.788 0.020 . 2 . . . . . 48 SER HB2 . 50448 1 550 . 1 . 1 48 48 SER HB3 H 1 3.753 0.020 . 2 . . . . . 48 SER HB3 . 50448 1 551 . 1 . 1 48 48 SER C C 13 175.280 0.3 . 1 . . . . . 48 SER C . 50448 1 552 . 1 . 1 48 48 SER CA C 13 59.870 0.3 . 1 . . . . . 48 SER CA . 50448 1 553 . 1 . 1 48 48 SER CB C 13 63.083 0.3 . 1 . . . . . 48 SER CB . 50448 1 554 . 1 . 1 48 48 SER N N 15 116.347 0.3 . 1 . . . . . 48 SER N . 50448 1 555 . 1 . 1 49 49 ASP H H 1 8.720 0.020 . 1 . . . . . 49 ASP H . 50448 1 556 . 1 . 1 49 49 ASP HA H 1 4.489 0.020 . 1 . . . . . 49 ASP HA . 50448 1 557 . 1 . 1 49 49 ASP HB2 H 1 2.671 0.020 . 1 . . . . . 49 ASP HB2 . 50448 1 558 . 1 . 1 49 49 ASP HB3 H 1 2.671 0.020 . 1 . . . . . 49 ASP HB3 . 50448 1 559 . 1 . 1 49 49 ASP C C 13 175.335 0.3 . 1 . . . . . 49 ASP C . 50448 1 560 . 1 . 1 49 49 ASP CA C 13 54.428 0.3 . 1 . . . . . 49 ASP CA . 50448 1 561 . 1 . 1 49 49 ASP CB C 13 40.261 0.3 . 1 . . . . . 49 ASP CB . 50448 1 562 . 1 . 1 49 49 ASP N N 15 120.274 0.3 . 1 . . . . . 49 ASP N . 50448 1 563 . 1 . 1 50 50 ILE H H 1 7.639 0.020 . 1 . . . . . 50 ILE H . 50448 1 564 . 1 . 1 50 50 ILE HA H 1 4.090 0.020 . 1 . . . . . 50 ILE HA . 50448 1 565 . 1 . 1 50 50 ILE HB H 1 1.710 0.020 . 1 . . . . . 50 ILE HB . 50448 1 566 . 1 . 1 50 50 ILE HG12 H 1 1.412 0.020 . 2 . . . . . 50 ILE HG12 . 50448 1 567 . 1 . 1 50 50 ILE HG13 H 1 1.033 0.020 . 2 . . . . . 50 ILE HG13 . 50448 1 568 . 1 . 1 50 50 ILE HG21 H 1 0.790 0.020 . 1 . . . . . 50 ILE HG2 . 50448 1 569 . 1 . 1 50 50 ILE HG22 H 1 0.790 0.020 . 1 . . . . . 50 ILE HG2 . 50448 1 570 . 1 . 1 50 50 ILE HG23 H 1 0.790 0.020 . 1 . . . . . 50 ILE HG2 . 50448 1 571 . 1 . 1 50 50 ILE HD11 H 1 0.852 0.020 . 1 . . . . . 50 ILE HD1 . 50448 1 572 . 1 . 1 50 50 ILE HD12 H 1 0.852 0.020 . 1 . . . . . 50 ILE HD1 . 50448 1 573 . 1 . 1 50 50 ILE HD13 H 1 0.852 0.020 . 1 . . . . . 50 ILE HD1 . 50448 1 574 . 1 . 1 50 50 ILE C C 13 175.118 0.3 . 1 . . . . . 50 ILE C . 50448 1 575 . 1 . 1 50 50 ILE CA C 13 60.543 0.3 . 1 . . . . . 50 ILE CA . 50448 1 576 . 1 . 1 50 50 ILE CB C 13 39.977 0.3 . 1 . . . . . 50 ILE CB . 50448 1 577 . 1 . 1 50 50 ILE CG1 C 13 27.756 0.3 . 1 . . . . . 50 ILE CG1 . 50448 1 578 . 1 . 1 50 50 ILE CG2 C 13 13.374 0.3 . 1 . . . . . 50 ILE CG2 . 50448 1 579 . 1 . 1 50 50 ILE CD1 C 13 17.832 0.3 . 1 . . . . . 50 ILE CD1 . 50448 1 580 . 1 . 1 50 50 ILE N N 15 119.894 0.3 . 1 . . . . . 50 ILE N . 50448 1 581 . 1 . 1 51 51 ASP H H 1 8.383 0.020 . 1 . . . . . 51 ASP H . 50448 1 582 . 1 . 1 51 51 ASP HA H 1 4.541 0.020 . 1 . . . . . 51 ASP HA . 50448 1 583 . 1 . 1 51 51 ASP HB2 H 1 2.498 0.020 . 2 . . . . . 51 ASP HB2 . 50448 1 584 . 1 . 1 51 51 ASP HB3 H 1 2.596 0.020 . 2 . . . . . 51 ASP HB3 . 50448 1 585 . 1 . 1 51 51 ASP C C 13 176.897 0.3 . 1 . . . . . 51 ASP C . 50448 1 586 . 1 . 1 51 51 ASP CA C 13 54.842 0.3 . 1 . . . . . 51 ASP CA . 50448 1 587 . 1 . 1 51 51 ASP CB C 13 41.123 0.3 . 1 . . . . . 51 ASP CB . 50448 1 588 . 1 . 1 51 51 ASP N N 15 124.392 0.3 . 1 . . . . . 51 ASP N . 50448 1 589 . 1 . 1 52 52 ILE H H 1 8.315 0.020 . 1 . . . . . 52 ILE H . 50448 1 590 . 1 . 1 52 52 ILE HA H 1 4.684 0.020 . 1 . . . . . 52 ILE HA . 50448 1 591 . 1 . 1 52 52 ILE HB H 1 2.190 0.020 . 1 . . . . . 52 ILE HB . 50448 1 592 . 1 . 1 52 52 ILE HG12 H 1 1.150 0.020 . 1 . . . . . 52 ILE HG12 . 50448 1 593 . 1 . 1 52 52 ILE HG13 H 1 1.150 0.020 . 1 . . . . . 52 ILE HG13 . 50448 1 594 . 1 . 1 52 52 ILE HG21 H 1 0.762 0.020 . 1 . . . . . 52 ILE HG2 . 50448 1 595 . 1 . 1 52 52 ILE HG22 H 1 0.762 0.020 . 1 . . . . . 52 ILE HG2 . 50448 1 596 . 1 . 1 52 52 ILE HG23 H 1 0.762 0.020 . 1 . . . . . 52 ILE HG2 . 50448 1 597 . 1 . 1 52 52 ILE HD11 H 1 0.765 0.020 . 1 . . . . . 52 ILE HD1 . 50448 1 598 . 1 . 1 52 52 ILE HD12 H 1 0.765 0.020 . 1 . . . . . 52 ILE HD1 . 50448 1 599 . 1 . 1 52 52 ILE HD13 H 1 0.765 0.020 . 1 . . . . . 52 ILE HD1 . 50448 1 600 . 1 . 1 52 52 ILE C C 13 178.578 0.3 . 1 . . . . . 52 ILE C . 50448 1 601 . 1 . 1 52 52 ILE CA C 13 60.606 0.3 . 1 . . . . . 52 ILE CA . 50448 1 602 . 1 . 1 52 52 ILE CB C 13 37.378 0.3 . 1 . . . . . 52 ILE CB . 50448 1 603 . 1 . 1 52 52 ILE CG1 C 13 26.733 0.3 . 1 . . . . . 52 ILE CG1 . 50448 1 604 . 1 . 1 52 52 ILE CG2 C 13 18.55 0.3 . 1 . . . . . 52 ILE CG2 . 50448 1 605 . 1 . 1 52 52 ILE CD1 C 13 14.84 0.3 . 1 . . . . . 52 ILE CD1 . 50448 1 606 . 1 . 1 52 52 ILE N N 15 118.548 0.3 . 1 . . . . . 52 ILE N . 50448 1 607 . 1 . 1 53 53 THR H H 1 8.807 0.020 . 1 . . . . . 53 THR H . 50448 1 608 . 1 . 1 53 53 THR HA H 1 3.726 0.020 . 1 . . . . . 53 THR HA . 50448 1 609 . 1 . 1 53 53 THR HB H 1 4.152 0.020 . 1 . . . . . 53 THR HB . 50448 1 610 . 1 . 1 53 53 THR HG21 H 1 1.241 0.020 . 1 . . . . . 53 THR HG2 . 50448 1 611 . 1 . 1 53 53 THR HG22 H 1 1.241 0.020 . 1 . . . . . 53 THR HG2 . 50448 1 612 . 1 . 1 53 53 THR HG23 H 1 1.241 0.020 . 1 . . . . . 53 THR HG2 . 50448 1 613 . 1 . 1 53 53 THR C C 13 178.559 0.3 . 1 . . . . . 53 THR C . 50448 1 614 . 1 . 1 53 53 THR CA C 13 67.063 0.3 . 1 . . . . . 53 THR CA . 50448 1 615 . 1 . 1 53 53 THR CB C 13 68.672 0.3 . 1 . . . . . 53 THR CB . 50448 1 616 . 1 . 1 53 53 THR CG2 C 13 22.030 0.3 . 1 . . . . . 53 THR CG2 . 50448 1 617 . 1 . 1 53 53 THR N N 15 121.172 0.3 . 1 . . . . . 53 THR N . 50448 1 618 . 1 . 1 54 54 PHE H H 1 8.538 0.020 . 1 . . . . . 54 PHE H . 50448 1 619 . 1 . 1 54 54 PHE HA H 1 4.220 0.020 . 1 . . . . . 54 PHE HA . 50448 1 620 . 1 . 1 54 54 PHE HB2 H 1 3.123 0.020 . 2 . . . . . 54 PHE HB2 . 50448 1 621 . 1 . 1 54 54 PHE HB3 H 1 2.992 0.020 . 2 . . . . . 54 PHE HB3 . 50448 1 622 . 1 . 1 54 54 PHE C C 13 176.041 0.3 . 1 . . . . . 54 PHE C . 50448 1 623 . 1 . 1 54 54 PHE CA C 13 59.445 0.3 . 1 . . . . . 54 PHE CA . 50448 1 624 . 1 . 1 54 54 PHE CB C 13 37.236 0.3 . 1 . . . . . 54 PHE CB . 50448 1 625 . 1 . 1 54 54 PHE N N 15 118.617 0.3 . 1 . . . . . 54 PHE N . 50448 1 626 . 1 . 1 55 55 LEU H H 1 6.890 0.020 . 1 . . . . . 55 LEU H . 50448 1 627 . 1 . 1 55 55 LEU HA H 1 3.408 0.020 . 1 . . . . . 55 LEU HA . 50448 1 628 . 1 . 1 55 55 LEU HB2 H 1 1.570 0.020 . 2 . . . . . 55 LEU HB2 . 50448 1 629 . 1 . 1 55 55 LEU HB3 H 1 1.227 0.020 . 2 . . . . . 55 LEU HB3 . 50448 1 630 . 1 . 1 55 55 LEU HG H 1 0.597 0.020 . 1 . . . . . 55 LEU HG . 50448 1 631 . 1 . 1 55 55 LEU HD11 H 1 0.424 0.020 . 2 . . . . . 55 LEU HD1 . 50448 1 632 . 1 . 1 55 55 LEU HD12 H 1 0.424 0.020 . 2 . . . . . 55 LEU HD1 . 50448 1 633 . 1 . 1 55 55 LEU HD13 H 1 0.424 0.020 . 2 . . . . . 55 LEU HD1 . 50448 1 634 . 1 . 1 55 55 LEU HD21 H 1 0.090 0.020 . 2 . . . . . 55 LEU HD2 . 50448 1 635 . 1 . 1 55 55 LEU HD22 H 1 0.090 0.020 . 2 . . . . . 55 LEU HD2 . 50448 1 636 . 1 . 1 55 55 LEU HD23 H 1 0.090 0.020 . 2 . . . . . 55 LEU HD2 . 50448 1 637 . 1 . 1 55 55 LEU C C 13 179.392 0.3 . 1 . . . . . 55 LEU C . 50448 1 638 . 1 . 1 55 55 LEU CA C 13 57.037 0.3 . 1 . . . . . 55 LEU CA . 50448 1 639 . 1 . 1 55 55 LEU CB C 13 41.236 0.3 . 1 . . . . . 55 LEU CB . 50448 1 640 . 1 . 1 55 55 LEU CG C 13 26.821 0.3 . 1 . . . . . 55 LEU CG . 50448 1 641 . 1 . 1 55 55 LEU CD1 C 13 25.534 0.3 . 1 . . . . . 55 LEU CD1 . 50448 1 642 . 1 . 1 55 55 LEU CD2 C 13 24.396 0.3 . 1 . . . . . 55 LEU CD2 . 50448 1 643 . 1 . 1 55 55 LEU N N 15 119.865 0.3 . 1 . . . . . 55 LEU N . 50448 1 644 . 1 . 1 56 56 LYS H H 1 7.300 0.020 . 1 . . . . . 56 LYS H . 50448 1 645 . 1 . 1 56 56 LYS HA H 1 4.228 0.020 . 1 . . . . . 56 LYS HA . 50448 1 646 . 1 . 1 56 56 LYS HB2 H 1 1.902 0.020 . 2 . . . . . 56 LYS HB2 . 50448 1 647 . 1 . 1 56 56 LYS HB3 H 1 1.956 0.020 . 2 . . . . . 56 LYS HB3 . 50448 1 648 . 1 . 1 56 56 LYS HG2 H 1 1.418 0.020 . 1 . . . . . 56 LYS HG2 . 50448 1 649 . 1 . 1 56 56 LYS HG3 H 1 1.418 0.020 . 1 . . . . . 56 LYS HG3 . 50448 1 650 . 1 . 1 56 56 LYS HD2 H 1 1.568 0.020 . 1 . . . . . 56 LYS HD2 . 50448 1 651 . 1 . 1 56 56 LYS HD3 H 1 1.568 0.020 . 1 . . . . . 56 LYS HD3 . 50448 1 652 . 1 . 1 56 56 LYS HE2 H 1 2.706 0.020 . 1 . . . . . 56 LYS HE2 . 50448 1 653 . 1 . 1 56 56 LYS HE3 H 1 2.706 0.020 . 1 . . . . . 56 LYS HE3 . 50448 1 654 . 1 . 1 56 56 LYS C C 13 178.276 0.3 . 1 . . . . . 56 LYS C . 50448 1 655 . 1 . 1 56 56 LYS CA C 13 57.042 0.3 . 1 . . . . . 56 LYS CA . 50448 1 656 . 1 . 1 56 56 LYS CB C 13 33.059 0.3 . 1 . . . . . 56 LYS CB . 50448 1 657 . 1 . 1 56 56 LYS CG C 13 25.884 0.3 . 1 . . . . . 56 LYS CG . 50448 1 658 . 1 . 1 56 56 LYS CD C 13 29.183 0.3 . 1 . . . . . 56 LYS CD . 50448 1 659 . 1 . 1 56 56 LYS CE C 13 42.217 0.3 . 1 . . . . . 56 LYS CE . 50448 1 660 . 1 . 1 56 56 LYS N N 15 115.448 0.3 . 1 . . . . . 56 LYS N . 50448 1 661 . 1 . 1 57 57 LYS H H 1 7.426 0.020 . 1 . . . . . 57 LYS H . 50448 1 662 . 1 . 1 57 57 LYS HA H 1 3.846 0.020 . 1 . . . . . 57 LYS HA . 50448 1 663 . 1 . 1 57 57 LYS HB2 H 1 1.806 0.020 . 2 . . . . . 57 LYS HB2 . 50448 1 664 . 1 . 1 57 57 LYS HB3 H 1 1.781 0.020 . 2 . . . . . 57 LYS HB3 . 50448 1 665 . 1 . 1 57 57 LYS HG2 H 1 1.399 0.020 . 1 . . . . . 57 LYS HG2 . 50448 1 666 . 1 . 1 57 57 LYS HG3 H 1 1.399 0.020 . 1 . . . . . 57 LYS HG3 . 50448 1 667 . 1 . 1 57 57 LYS HD2 H 1 1.659 0.020 . 1 . . . . . 57 LYS HD2 . 50448 1 668 . 1 . 1 57 57 LYS HD3 H 1 1.659 0.020 . 1 . . . . . 57 LYS HD3 . 50448 1 669 . 1 . 1 57 57 LYS HE2 H 1 2.956 0.020 . 1 . . . . . 57 LYS HE2 . 50448 1 670 . 1 . 1 57 57 LYS HE3 H 1 2.956 0.020 . 1 . . . . . 57 LYS HE3 . 50448 1 671 . 1 . 1 57 57 LYS C C 13 176.728 0.3 . 1 . . . . . 57 LYS C . 50448 1 672 . 1 . 1 57 57 LYS CA C 13 60.277 0.3 . 1 . . . . . 57 LYS CA . 50448 1 673 . 1 . 1 57 57 LYS CB C 13 32.619 0.3 . 1 . . . . . 57 LYS CB . 50448 1 674 . 1 . 1 57 57 LYS CG C 13 24.061 0.3 . 1 . . . . . 57 LYS CG . 50448 1 675 . 1 . 1 57 57 LYS CD C 13 29.398 0.3 . 1 . . . . . 57 LYS CD . 50448 1 676 . 1 . 1 57 57 LYS CE C 13 41.939 0.3 . 1 . . . . . 57 LYS CE . 50448 1 677 . 1 . 1 57 57 LYS N N 15 119.679 0.3 . 1 . . . . . 57 LYS N . 50448 1 678 . 1 . 1 58 58 ASP H H 1 6.885 0.020 . 1 . . . . . 58 ASP H . 50448 1 679 . 1 . 1 58 58 ASP HA H 1 4.889 0.020 . 1 . . . . . 58 ASP HA . 50448 1 680 . 1 . 1 58 58 ASP HB2 H 1 2.910 0.020 . 2 . . . . . 58 ASP HB2 . 50448 1 681 . 1 . 1 58 58 ASP HB3 H 1 2.467 0.020 . 2 . . . . . 58 ASP HB3 . 50448 1 682 . 1 . 1 58 58 ASP C C 13 173.206 0.3 . 1 . . . . . 58 ASP C . 50448 1 683 . 1 . 1 58 58 ASP CA C 13 53.350 0.3 . 1 . . . . . 58 ASP CA . 50448 1 684 . 1 . 1 58 58 ASP CB C 13 41.667 0.3 . 1 . . . . . 58 ASP CB . 50448 1 685 . 1 . 1 58 58 ASP N N 15 114.588 0.3 . 1 . . . . . 58 ASP N . 50448 1 686 . 1 . 1 59 59 ALA H H 1 6.389 0.020 . 1 . . . . . 59 ALA H . 50448 1 687 . 1 . 1 59 59 ALA HA H 1 2.658 0.020 . 1 . . . . . 59 ALA HA . 50448 1 688 . 1 . 1 59 59 ALA HB1 H 1 0.991 0.020 . 1 . . . . . 59 ALA HB . 50448 1 689 . 1 . 1 59 59 ALA HB2 H 1 0.991 0.020 . 1 . . . . . 59 ALA HB . 50448 1 690 . 1 . 1 59 59 ALA HB3 H 1 0.991 0.020 . 1 . . . . . 59 ALA HB . 50448 1 691 . 1 . 1 59 59 ALA C C 13 175.470 0.3 . 1 . . . . . 59 ALA C . 50448 1 692 . 1 . 1 59 59 ALA CA C 13 50.581 0.3 . 1 . . . . . 59 ALA CA . 50448 1 693 . 1 . 1 59 59 ALA CB C 13 17.468 0.3 . 1 . . . . . 59 ALA CB . 50448 1 694 . 1 . 1 59 59 ALA N N 15 121.089 0.3 . 1 . . . . . 59 ALA N . 50448 1 695 . 1 . 1 60 60 PRO HA H 1 4.461 0.020 . 1 . . . . . 60 PRO HA . 50448 1 696 . 1 . 1 60 60 PRO HB2 H 1 2.240 0.020 . 2 . . . . . 60 PRO HB2 . 50448 1 697 . 1 . 1 60 60 PRO HB3 H 1 1.980 0.020 . 2 . . . . . 60 PRO HB3 . 50448 1 698 . 1 . 1 60 60 PRO HG2 H 1 1.777 0.020 . 2 . . . . . 60 PRO HG2 . 50448 1 699 . 1 . 1 60 60 PRO HG3 H 1 1.683 0.020 . 2 . . . . . 60 PRO HG3 . 50448 1 700 . 1 . 1 60 60 PRO HD2 H 1 3.260 0.020 . 2 . . . . . 60 PRO HD2 . 50448 1 701 . 1 . 1 60 60 PRO HD3 H 1 3.449 0.020 . 2 . . . . . 60 PRO HD3 . 50448 1 702 . 1 . 1 60 60 PRO C C 13 174.968 0.3 . 1 . . . . . 60 PRO C . 50448 1 703 . 1 . 1 60 60 PRO CA C 13 61.750 0.3 . 1 . . . . . 60 PRO CA . 50448 1 704 . 1 . 1 60 60 PRO CB C 13 35.068 0.3 . 1 . . . . . 60 PRO CB . 50448 1 705 . 1 . 1 60 60 PRO CG C 13 24.628 0.3 . 1 . . . . . 60 PRO CG . 50448 1 706 . 1 . 1 60 60 PRO CD C 13 50.740 0.3 . 1 . . . . . 60 PRO CD . 50448 1 707 . 1 . 1 61 61 TYR H H 1 9.133 0.020 . 1 . . . . . 61 TYR H . 50448 1 708 . 1 . 1 61 61 TYR HA H 1 4.719 0.020 . 1 . . . . . 61 TYR HA . 50448 1 709 . 1 . 1 61 61 TYR HB2 H 1 3.794 0.020 . 2 . . . . . 61 TYR HB2 . 50448 1 710 . 1 . 1 61 61 TYR HB3 H 1 2.302 0.020 . 2 . . . . . 61 TYR HB3 . 50448 1 711 . 1 . 1 61 61 TYR C C 13 174.785 0.3 . 1 . . . . . 61 TYR C . 50448 1 712 . 1 . 1 61 61 TYR CA C 13 56.775 0.3 . 1 . . . . . 61 TYR CA . 50448 1 713 . 1 . 1 61 61 TYR CB C 13 44.881 0.3 . 1 . . . . . 61 TYR CB . 50448 1 714 . 1 . 1 61 61 TYR N N 15 120.567 0.3 . 1 . . . . . 61 TYR N . 50448 1 715 . 1 . 1 62 62 ILE H H 1 8.747 0.020 . 1 . . . . . 62 ILE H . 50448 1 716 . 1 . 1 62 62 ILE HA H 1 4.482 0.020 . 1 . . . . . 62 ILE HA . 50448 1 717 . 1 . 1 62 62 ILE HB H 1 1.777 0.020 . 1 . . . . . 62 ILE HB . 50448 1 718 . 1 . 1 62 62 ILE HG12 H 1 1.110 0.020 . 2 . . . . . 62 ILE HG12 . 50448 1 719 . 1 . 1 62 62 ILE HG13 H 1 1.171 0.020 . 2 . . . . . 62 ILE HG13 . 50448 1 720 . 1 . 1 62 62 ILE HG21 H 1 0.88 0.020 . 1 . . . . . 62 ILE HG2 . 50448 1 721 . 1 . 1 62 62 ILE HG22 H 1 0.88 0.020 . 1 . . . . . 62 ILE HG2 . 50448 1 722 . 1 . 1 62 62 ILE HG23 H 1 0.88 0.020 . 1 . . . . . 62 ILE HG2 . 50448 1 723 . 1 . 1 62 62 ILE HD11 H 1 0.77 0.020 . 1 . . . . . 62 ILE HD1 . 50448 1 724 . 1 . 1 62 62 ILE HD12 H 1 0.77 0.020 . 1 . . . . . 62 ILE HD1 . 50448 1 725 . 1 . 1 62 62 ILE HD13 H 1 0.77 0.020 . 1 . . . . . 62 ILE HD1 . 50448 1 726 . 1 . 1 62 62 ILE C C 13 176.225 0.3 . 1 . . . . . 62 ILE C . 50448 1 727 . 1 . 1 62 62 ILE CA C 13 59.405 0.3 . 1 . . . . . 62 ILE CA . 50448 1 728 . 1 . 1 62 62 ILE CB C 13 40.730 0.3 . 1 . . . . . 62 ILE CB . 50448 1 729 . 1 . 1 62 62 ILE CG1 C 13 26.455 0.3 . 1 . . . . . 62 ILE CG1 . 50448 1 730 . 1 . 1 62 62 ILE CG2 C 13 17.76 0.3 . 1 . . . . . 62 ILE CG2 . 50448 1 731 . 1 . 1 62 62 ILE CD1 C 13 13.71 0.3 . 1 . . . . . 62 ILE CD1 . 50448 1 732 . 1 . 1 62 62 ILE N N 15 115.174 0.3 . 1 . . . . . 62 ILE N . 50448 1 733 . 1 . 1 63 63 VAL H H 1 8.208 0.020 . 1 . . . . . 63 VAL H . 50448 1 734 . 1 . 1 63 63 VAL HA H 1 3.176 0.020 . 1 . . . . . 63 VAL HA . 50448 1 735 . 1 . 1 63 63 VAL HB H 1 1.799 0.020 . 1 . . . . . 63 VAL HB . 50448 1 736 . 1 . 1 63 63 VAL HG11 H 1 0.767 0.020 . 1 . . . . . 63 VAL HG1 . 50448 1 737 . 1 . 1 63 63 VAL HG12 H 1 0.767 0.020 . 1 . . . . . 63 VAL HG1 . 50448 1 738 . 1 . 1 63 63 VAL HG13 H 1 0.767 0.020 . 1 . . . . . 63 VAL HG1 . 50448 1 739 . 1 . 1 63 63 VAL HG21 H 1 0.756 0.020 . 1 . . . . . 63 VAL HG2 . 50448 1 740 . 1 . 1 63 63 VAL HG22 H 1 0.756 0.020 . 1 . . . . . 63 VAL HG2 . 50448 1 741 . 1 . 1 63 63 VAL HG23 H 1 0.756 0.020 . 1 . . . . . 63 VAL HG2 . 50448 1 742 . 1 . 1 63 63 VAL C C 13 177.526 0.3 . 1 . . . . . 63 VAL C . 50448 1 743 . 1 . 1 63 63 VAL CA C 13 65.461 0.3 . 1 . . . . . 63 VAL CA . 50448 1 744 . 1 . 1 63 63 VAL CB C 13 31.233 0.3 . 1 . . . . . 63 VAL CB . 50448 1 745 . 1 . 1 63 63 VAL CG1 C 13 22.871 0.3 . 1 . . . . . 63 VAL CG1 . 50448 1 746 . 1 . 1 63 63 VAL CG2 C 13 22.530 0.3 . 1 . . . . . 63 VAL CG2 . 50448 1 747 . 1 . 1 63 63 VAL N N 15 121.492 0.3 . 1 . . . . . 63 VAL N . 50448 1 748 . 1 . 1 64 64 GLY H H 1 9.198 0.020 . 1 . . . . . 64 GLY H . 50448 1 749 . 1 . 1 64 64 GLY HA2 H 1 4.323 0.020 . 2 . . . . . 64 GLY HA1 . 50448 1 750 . 1 . 1 64 64 GLY HA3 H 1 3.431 0.020 . 2 . . . . . 64 GLY HA2 . 50448 1 751 . 1 . 1 64 64 GLY C C 13 173.291 0.3 . 1 . . . . . 64 GLY C . 50448 1 752 . 1 . 1 64 64 GLY CA C 13 44.696 0.3 . 1 . . . . . 64 GLY CA . 50448 1 753 . 1 . 1 64 64 GLY N N 15 117.066 0.3 . 1 . . . . . 64 GLY N . 50448 1 754 . 1 . 1 65 65 ASP H H 1 8.112 0.020 . 1 . . . . . 65 ASP H . 50448 1 755 . 1 . 1 65 65 ASP HA H 1 4.510 0.020 . 1 . . . . . 65 ASP HA . 50448 1 756 . 1 . 1 65 65 ASP HB2 H 1 2.785 0.020 . 2 . . . . . 65 ASP HB2 . 50448 1 757 . 1 . 1 65 65 ASP HB3 H 1 2.344 0.020 . 2 . . . . . 65 ASP HB3 . 50448 1 758 . 1 . 1 65 65 ASP C C 13 174.572 0.3 . 1 . . . . . 65 ASP C . 50448 1 759 . 1 . 1 65 65 ASP CA C 13 56.201 0.3 . 1 . . . . . 65 ASP CA . 50448 1 760 . 1 . 1 65 65 ASP CB C 13 41.024 0.3 . 1 . . . . . 65 ASP CB . 50448 1 761 . 1 . 1 65 65 ASP N N 15 121.364 0.3 . 1 . . . . . 65 ASP N . 50448 1 762 . 1 . 1 66 66 VAL H H 1 7.814 0.020 . 1 . . . . . 66 VAL H . 50448 1 763 . 1 . 1 66 66 VAL HA H 1 4.943 0.020 . 1 . . . . . 66 VAL HA . 50448 1 764 . 1 . 1 66 66 VAL HB H 1 1.717 0.020 . 1 . . . . . 66 VAL HB . 50448 1 765 . 1 . 1 66 66 VAL HG11 H 1 0.764 0.020 . 1 . . . . . 66 VAL HG1 . 50448 1 766 . 1 . 1 66 66 VAL HG12 H 1 0.764 0.020 . 1 . . . . . 66 VAL HG1 . 50448 1 767 . 1 . 1 66 66 VAL HG13 H 1 0.764 0.020 . 1 . . . . . 66 VAL HG1 . 50448 1 768 . 1 . 1 66 66 VAL HG21 H 1 0.692 0.020 . 1 . . . . . 66 VAL HG2 . 50448 1 769 . 1 . 1 66 66 VAL HG22 H 1 0.692 0.020 . 1 . . . . . 66 VAL HG2 . 50448 1 770 . 1 . 1 66 66 VAL HG23 H 1 0.692 0.020 . 1 . . . . . 66 VAL HG2 . 50448 1 771 . 1 . 1 66 66 VAL C C 13 176.106 0.3 . 1 . . . . . 66 VAL C . 50448 1 772 . 1 . 1 66 66 VAL CA C 13 60.315 0.3 . 1 . . . . . 66 VAL CA . 50448 1 773 . 1 . 1 66 66 VAL CB C 13 34.801 0.3 . 1 . . . . . 66 VAL CB . 50448 1 774 . 1 . 1 66 66 VAL CG1 C 13 22.253 0.3 . 1 . . . . . 66 VAL CG1 . 50448 1 775 . 1 . 1 66 66 VAL CG2 C 13 21.961 0.3 . 1 . . . . . 66 VAL CG2 . 50448 1 776 . 1 . 1 66 66 VAL N N 15 118.615 0.3 . 1 . . . . . 66 VAL N . 50448 1 777 . 1 . 1 67 67 VAL H H 1 9.153 0.020 . 1 . . . . . 67 VAL H . 50448 1 778 . 1 . 1 67 67 VAL HA H 1 4.485 0.020 . 1 . . . . . 67 VAL HA . 50448 1 779 . 1 . 1 67 67 VAL HB H 1 1.849 0.020 . 1 . . . . . 67 VAL HB . 50448 1 780 . 1 . 1 67 67 VAL HG11 H 1 0.691 0.020 . 1 . . . . . 67 VAL HG1 . 50448 1 781 . 1 . 1 67 67 VAL HG12 H 1 0.691 0.020 . 1 . . . . . 67 VAL HG1 . 50448 1 782 . 1 . 1 67 67 VAL HG13 H 1 0.691 0.020 . 1 . . . . . 67 VAL HG1 . 50448 1 783 . 1 . 1 67 67 VAL HG21 H 1 0.535 0.020 . 1 . . . . . 67 VAL HG2 . 50448 1 784 . 1 . 1 67 67 VAL HG22 H 1 0.535 0.020 . 1 . . . . . 67 VAL HG2 . 50448 1 785 . 1 . 1 67 67 VAL HG23 H 1 0.535 0.020 . 1 . . . . . 67 VAL HG2 . 50448 1 786 . 1 . 1 67 67 VAL C C 13 174.533 0.3 . 1 . . . . . 67 VAL C . 50448 1 787 . 1 . 1 67 67 VAL CA C 13 60.493 0.3 . 1 . . . . . 67 VAL CA . 50448 1 788 . 1 . 1 67 67 VAL CB C 13 35.140 0.3 . 1 . . . . . 67 VAL CB . 50448 1 789 . 1 . 1 67 67 VAL CG1 C 13 22.158 0.3 . 1 . . . . . 67 VAL CG1 . 50448 1 790 . 1 . 1 67 67 VAL CG2 C 13 20.050 0.3 . 1 . . . . . 67 VAL CG2 . 50448 1 791 . 1 . 1 67 67 VAL N N 15 126.184 0.3 . 1 . . . . . 67 VAL N . 50448 1 792 . 1 . 1 68 68 GLN H H 1 8.790 0.020 . 1 . . . . . 68 GLN H . 50448 1 793 . 1 . 1 68 68 GLN HA H 1 5.311 0.020 . 1 . . . . . 68 GLN HA . 50448 1 794 . 1 . 1 68 68 GLN HB2 H 1 1.796 0.020 . 2 . . . . . 68 GLN HB2 . 50448 1 795 . 1 . 1 68 68 GLN HB3 H 1 1.964 0.020 . 2 . . . . . 68 GLN HB3 . 50448 1 796 . 1 . 1 68 68 GLN HG2 H 1 2.304 0.020 . 2 . . . . . 68 GLN HG2 . 50448 1 797 . 1 . 1 68 68 GLN HG3 H 1 2.082 0.020 . 2 . . . . . 68 GLN HG3 . 50448 1 798 . 1 . 1 68 68 GLN C C 13 174.992 0.3 . 1 . . . . . 68 GLN C . 50448 1 799 . 1 . 1 68 68 GLN CA C 13 54.771 0.3 . 1 . . . . . 68 GLN CA . 50448 1 800 . 1 . 1 68 68 GLN CB C 13 33.965 0.3 . 1 . . . . . 68 GLN CB . 50448 1 801 . 1 . 1 68 68 GLN CG C 13 35.143 0.3 . 1 . . . . . 68 GLN CG . 50448 1 802 . 1 . 1 68 68 GLN N N 15 123.253 0.3 . 1 . . . . . 68 GLN N . 50448 1 803 . 1 . 1 69 69 GLU H H 1 8.339 0.020 . 1 . . . . . 69 GLU H . 50448 1 804 . 1 . 1 69 69 GLU HA H 1 3.933 0.020 . 1 . . . . . 69 GLU HA . 50448 1 805 . 1 . 1 69 69 GLU HB2 H 1 0.447 0.020 . 2 . . . . . 69 GLU HB2 . 50448 1 806 . 1 . 1 69 69 GLU HB3 H 1 0.919 0.020 . 2 . . . . . 69 GLU HB3 . 50448 1 807 . 1 . 1 69 69 GLU HG2 H 1 1.510 0.020 . 2 . . . . . 69 GLU HG2 . 50448 1 808 . 1 . 1 69 69 GLU HG3 H 1 1.586 0.020 . 2 . . . . . 69 GLU HG3 . 50448 1 809 . 1 . 1 69 69 GLU C C 13 175.833 0.3 . 1 . . . . . 69 GLU C . 50448 1 810 . 1 . 1 69 69 GLU CA C 13 56.904 0.3 . 1 . . . . . 69 GLU CA . 50448 1 811 . 1 . 1 69 69 GLU CB C 13 30.586 0.3 . 1 . . . . . 69 GLU CB . 50448 1 812 . 1 . 1 69 69 GLU CG C 13 36.528 0.3 . 1 . . . . . 69 GLU CG . 50448 1 813 . 1 . 1 69 69 GLU N N 15 124.103 0.3 . 1 . . . . . 69 GLU N . 50448 1 814 . 1 . 1 70 70 GLY H H 1 9.001 0.020 . 1 . . . . . 70 GLY H . 50448 1 815 . 1 . 1 70 70 GLY HA2 H 1 3.940 0.020 . 1 . . . . . 70 GLY HA1 . 50448 1 816 . 1 . 1 70 70 GLY C C 13 175.881 0.3 . 1 . . . . . 70 GLY C . 50448 1 817 . 1 . 1 70 70 GLY CA C 13 46.737 0.3 . 1 . . . . . 70 GLY CA . 50448 1 818 . 1 . 1 70 70 GLY N N 15 119.074 0.3 . 1 . . . . . 70 GLY N . 50448 1 819 . 1 . 1 71 71 VAL H H 1 8.410 0.020 . 1 . . . . . 71 VAL H . 50448 1 820 . 1 . 1 71 71 VAL HA H 1 4.340 0.020 . 1 . . . . . 71 VAL HA . 50448 1 821 . 1 . 1 71 71 VAL HB H 1 2.845 0.020 . 1 . . . . . 71 VAL HB . 50448 1 822 . 1 . 1 71 71 VAL HG11 H 1 0.810 0.020 . 1 . . . . . 71 VAL HG1 . 50448 1 823 . 1 . 1 71 71 VAL HG12 H 1 0.810 0.020 . 1 . . . . . 71 VAL HG1 . 50448 1 824 . 1 . 1 71 71 VAL HG13 H 1 0.810 0.020 . 1 . . . . . 71 VAL HG1 . 50448 1 825 . 1 . 1 71 71 VAL HG21 H 1 0.836 0.020 . 1 . . . . . 71 VAL HG2 . 50448 1 826 . 1 . 1 71 71 VAL HG22 H 1 0.836 0.020 . 1 . . . . . 71 VAL HG2 . 50448 1 827 . 1 . 1 71 71 VAL HG23 H 1 0.836 0.020 . 1 . . . . . 71 VAL HG2 . 50448 1 828 . 1 . 1 71 71 VAL C C 13 175.484 0.3 . 1 . . . . . 71 VAL C . 50448 1 829 . 1 . 1 71 71 VAL CA C 13 62.072 0.3 . 1 . . . . . 71 VAL CA . 50448 1 830 . 1 . 1 71 71 VAL CB C 13 30.160 0.3 . 1 . . . . . 71 VAL CB . 50448 1 831 . 1 . 1 71 71 VAL CG1 C 13 21.500 0.3 . 1 . . . . . 71 VAL CG1 . 50448 1 832 . 1 . 1 71 71 VAL CG2 C 13 18.070 0.3 . 1 . . . . . 71 VAL CG2 . 50448 1 833 . 1 . 1 71 71 VAL N N 15 120.006 0.3 . 1 . . . . . 71 VAL N . 50448 1 834 . 1 . 1 72 72 LEU H H 1 8.276 0.020 . 1 . . . . . 72 LEU H . 50448 1 835 . 1 . 1 72 72 LEU HA H 1 4.792 0.020 . 1 . . . . . 72 LEU HA . 50448 1 836 . 1 . 1 72 72 LEU HB2 H 1 2.286 0.020 . 2 . . . . . 72 LEU HB2 . 50448 1 837 . 1 . 1 72 72 LEU HB3 H 1 1.183 0.020 . 2 . . . . . 72 LEU HB3 . 50448 1 838 . 1 . 1 72 72 LEU HG H 1 1.835 0.020 . 1 . . . . . 72 LEU HG . 50448 1 839 . 1 . 1 72 72 LEU HD11 H 1 0.999 0.020 . 2 . . . . . 72 LEU HD1 . 50448 1 840 . 1 . 1 72 72 LEU HD12 H 1 0.999 0.020 . 2 . . . . . 72 LEU HD1 . 50448 1 841 . 1 . 1 72 72 LEU HD13 H 1 0.999 0.020 . 2 . . . . . 72 LEU HD1 . 50448 1 842 . 1 . 1 72 72 LEU HD21 H 1 0.884 0.020 . 1 . . . . . 72 LEU HD2 . 50448 1 843 . 1 . 1 72 72 LEU HD22 H 1 0.884 0.020 . 1 . . . . . 72 LEU HD2 . 50448 1 844 . 1 . 1 72 72 LEU HD23 H 1 0.884 0.020 . 1 . . . . . 72 LEU HD2 . 50448 1 845 . 1 . 1 72 72 LEU C C 13 175.648 0.3 . 1 . . . . . 72 LEU C . 50448 1 846 . 1 . 1 72 72 LEU CA C 13 54.734 0.3 . 1 . . . . . 72 LEU CA . 50448 1 847 . 1 . 1 72 72 LEU CB C 13 43.136 0.3 . 1 . . . . . 72 LEU CB . 50448 1 848 . 1 . 1 72 72 LEU CG C 13 27.530 0.3 . 1 . . . . . 72 LEU CG . 50448 1 849 . 1 . 1 72 72 LEU CD1 C 13 26.211 0.3 . 1 . . . . . 72 LEU CD1 . 50448 1 850 . 1 . 1 72 72 LEU CD2 C 13 25.236 0.3 . 1 . . . . . 72 LEU CD2 . 50448 1 851 . 1 . 1 72 72 LEU N N 15 122.987 0.3 . 1 . . . . . 72 LEU N . 50448 1 852 . 1 . 1 73 73 THR H H 1 8.646 0.020 . 1 . . . . . 73 THR H . 50448 1 853 . 1 . 1 73 73 THR HA H 1 4.721 0.020 . 1 . . . . . 73 THR HA . 50448 1 854 . 1 . 1 73 73 THR HB H 1 3.859 0.020 . 1 . . . . . 73 THR HB . 50448 1 855 . 1 . 1 73 73 THR HG21 H 1 0.903 0.020 . 1 . . . . . 73 THR HG2 . 50448 1 856 . 1 . 1 73 73 THR HG22 H 1 0.903 0.020 . 1 . . . . . 73 THR HG2 . 50448 1 857 . 1 . 1 73 73 THR HG23 H 1 0.903 0.020 . 1 . . . . . 73 THR HG2 . 50448 1 858 . 1 . 1 73 73 THR C C 13 171.565 0.3 . 1 . . . . . 73 THR C . 50448 1 859 . 1 . 1 73 73 THR CA C 13 62.572 0.3 . 1 . . . . . 73 THR CA . 50448 1 860 . 1 . 1 73 73 THR CB C 13 70.420 0.3 . 1 . . . . . 73 THR CB . 50448 1 861 . 1 . 1 73 73 THR CG2 C 13 21.474 0.3 . 1 . . . . . 73 THR CG2 . 50448 1 862 . 1 . 1 73 73 THR N N 15 121.123 0.3 . 1 . . . . . 73 THR N . 50448 1 863 . 1 . 1 74 74 ALA H H 1 9.611 0.020 . 1 . . . . . 74 ALA H . 50448 1 864 . 1 . 1 74 74 ALA HA H 1 5.406 0.020 . 1 . . . . . 74 ALA HA . 50448 1 865 . 1 . 1 74 74 ALA HB1 H 1 0.876 0.020 . 1 . . . . . 74 ALA HB . 50448 1 866 . 1 . 1 74 74 ALA HB2 H 1 0.876 0.020 . 1 . . . . . 74 ALA HB . 50448 1 867 . 1 . 1 74 74 ALA HB3 H 1 0.876 0.020 . 1 . . . . . 74 ALA HB . 50448 1 868 . 1 . 1 74 74 ALA C C 13 174.193 0.3 . 1 . . . . . 74 ALA C . 50448 1 869 . 1 . 1 74 74 ALA CA C 13 48.740 0.3 . 1 . . . . . 74 ALA CA . 50448 1 870 . 1 . 1 74 74 ALA CB C 13 22.947 0.3 . 1 . . . . . 74 ALA CB . 50448 1 871 . 1 . 1 74 74 ALA N N 15 129.187 0.3 . 1 . . . . . 74 ALA N . 50448 1 872 . 1 . 1 75 75 VAL H H 1 8.382 0.020 . 1 . . . . . 75 VAL H . 50448 1 873 . 1 . 1 75 75 VAL HA H 1 5.220 0.020 . 1 . . . . . 75 VAL HA . 50448 1 874 . 1 . 1 75 75 VAL HB H 1 1.525 0.020 . 1 . . . . . 75 VAL HB . 50448 1 875 . 1 . 1 75 75 VAL HG11 H 1 0.697 0.020 . 1 . . . . . 75 VAL HG1 . 50448 1 876 . 1 . 1 75 75 VAL HG12 H 1 0.697 0.020 . 1 . . . . . 75 VAL HG1 . 50448 1 877 . 1 . 1 75 75 VAL HG13 H 1 0.697 0.020 . 1 . . . . . 75 VAL HG1 . 50448 1 878 . 1 . 1 75 75 VAL HG21 H 1 0.838 0.020 . 1 . . . . . 75 VAL HG2 . 50448 1 879 . 1 . 1 75 75 VAL HG22 H 1 0.838 0.020 . 1 . . . . . 75 VAL HG2 . 50448 1 880 . 1 . 1 75 75 VAL HG23 H 1 0.838 0.020 . 1 . . . . . 75 VAL HG2 . 50448 1 881 . 1 . 1 75 75 VAL C C 13 173.222 0.3 . 1 . . . . . 75 VAL C . 50448 1 882 . 1 . 1 75 75 VAL CA C 13 57.468 0.3 . 1 . . . . . 75 VAL CA . 50448 1 883 . 1 . 1 75 75 VAL CB C 13 35.812 0.3 . 1 . . . . . 75 VAL CB . 50448 1 884 . 1 . 1 75 75 VAL CG1 C 13 21.705 0.3 . 1 . . . . . 75 VAL CG1 . 50448 1 885 . 1 . 1 75 75 VAL CG2 C 13 19.959 0.3 . 1 . . . . . 75 VAL CG2 . 50448 1 886 . 1 . 1 75 75 VAL N N 15 118.867 0.3 . 1 . . . . . 75 VAL N . 50448 1 887 . 1 . 1 76 76 VAL H H 1 8.144 0.020 . 1 . . . . . 76 VAL H . 50448 1 888 . 1 . 1 76 76 VAL HA H 1 4.244 0.020 . 1 . . . . . 76 VAL HA . 50448 1 889 . 1 . 1 76 76 VAL HB H 1 2.055 0.020 . 1 . . . . . 76 VAL HB . 50448 1 890 . 1 . 1 76 76 VAL HG11 H 1 0.507 0.020 . 1 . . . . . 76 VAL HG1 . 50448 1 891 . 1 . 1 76 76 VAL HG12 H 1 0.507 0.020 . 1 . . . . . 76 VAL HG1 . 50448 1 892 . 1 . 1 76 76 VAL HG13 H 1 0.507 0.020 . 1 . . . . . 76 VAL HG1 . 50448 1 893 . 1 . 1 76 76 VAL HG21 H 1 0.493 0.020 . 1 . . . . . 76 VAL HG2 . 50448 1 894 . 1 . 1 76 76 VAL HG22 H 1 0.493 0.020 . 1 . . . . . 76 VAL HG2 . 50448 1 895 . 1 . 1 76 76 VAL HG23 H 1 0.493 0.020 . 1 . . . . . 76 VAL HG2 . 50448 1 896 . 1 . 1 76 76 VAL C C 13 177.207 0.3 . 1 . . . . . 76 VAL C . 50448 1 897 . 1 . 1 76 76 VAL CA C 13 60.880 0.3 . 1 . . . . . 76 VAL CA . 50448 1 898 . 1 . 1 76 76 VAL CB C 13 30.876 0.3 . 1 . . . . . 76 VAL CB . 50448 1 899 . 1 . 1 76 76 VAL CG1 C 13 22.104 0.3 . 1 . . . . . 76 VAL CG1 . 50448 1 900 . 1 . 1 76 76 VAL CG2 C 13 20.791 0.3 . 1 . . . . . 76 VAL CG2 . 50448 1 901 . 1 . 1 76 76 VAL N N 15 128.480 0.3 . 1 . . . . . 76 VAL N . 50448 1 902 . 1 . 1 77 77 ILE H H 1 8.000 0.020 . 1 . . . . . 77 ILE H . 50448 1 903 . 1 . 1 77 77 ILE HA H 1 4.774 0.020 . 1 . . . . . 77 ILE HA . 50448 1 904 . 1 . 1 77 77 ILE HB H 1 1.546 0.020 . 1 . . . . . 77 ILE HB . 50448 1 905 . 1 . 1 77 77 ILE HG12 H 1 1.439 0.020 . 2 . . . . . 77 ILE HG12 . 50448 1 906 . 1 . 1 77 77 ILE HG13 H 1 1.428 0.020 . 2 . . . . . 77 ILE HG13 . 50448 1 907 . 1 . 1 77 77 ILE HG21 H 1 0.76 0.020 . 1 . . . . . 77 ILE HG2 . 50448 1 908 . 1 . 1 77 77 ILE HG22 H 1 0.76 0.020 . 1 . . . . . 77 ILE HG2 . 50448 1 909 . 1 . 1 77 77 ILE HG23 H 1 0.76 0.020 . 1 . . . . . 77 ILE HG2 . 50448 1 910 . 1 . 1 77 77 ILE HD11 H 1 0.44 0.020 . 1 . . . . . 77 ILE HD1 . 50448 1 911 . 1 . 1 77 77 ILE HD12 H 1 0.44 0.020 . 1 . . . . . 77 ILE HD1 . 50448 1 912 . 1 . 1 77 77 ILE HD13 H 1 0.44 0.020 . 1 . . . . . 77 ILE HD1 . 50448 1 913 . 1 . 1 77 77 ILE C C 13 172.815 0.3 . 1 . . . . . 77 ILE C . 50448 1 914 . 1 . 1 77 77 ILE CA C 13 57.643 0.3 . 1 . . . . . 77 ILE CA . 50448 1 915 . 1 . 1 77 77 ILE CB C 13 39.282 0.3 . 1 . . . . . 77 ILE CB . 50448 1 916 . 1 . 1 77 77 ILE CG1 C 13 24.940 0.3 . 1 . . . . . 77 ILE CG1 . 50448 1 917 . 1 . 1 77 77 ILE CG2 C 13 19.31 0.3 . 1 . . . . . 77 ILE CG2 . 50448 1 918 . 1 . 1 77 77 ILE CD1 C 13 14.99 0.3 . 1 . . . . . 77 ILE CD1 . 50448 1 919 . 1 . 1 77 77 ILE N N 15 119.531 0.3 . 1 . . . . . 77 ILE N . 50448 1 920 . 1 . 1 78 78 PRO HA H 1 4.764 0.020 . 1 . . . . . 78 PRO HA . 50448 1 921 . 1 . 1 78 78 PRO HB2 H 1 2.246 0.020 . 2 . . . . . 78 PRO HB2 . 50448 1 922 . 1 . 1 78 78 PRO HB3 H 1 2.117 0.020 . 2 . . . . . 78 PRO HB3 . 50448 1 923 . 1 . 1 78 78 PRO HG2 H 1 1.985 0.020 . 2 . . . . . 78 PRO HG2 . 50448 1 924 . 1 . 1 78 78 PRO HG3 H 1 1.499 0.020 . 2 . . . . . 78 PRO HG3 . 50448 1 925 . 1 . 1 78 78 PRO HD2 H 1 3.288 0.020 . 2 . . . . . 78 PRO HD2 . 50448 1 926 . 1 . 1 78 78 PRO HD3 H 1 3.379 0.020 . 2 . . . . . 78 PRO HD3 . 50448 1 927 . 1 . 1 78 78 PRO C C 13 175.001 0.3 . 1 . . . . . 78 PRO C . 50448 1 928 . 1 . 1 78 78 PRO CA C 13 61.644 0.3 . 1 . . . . . 78 PRO CA . 50448 1 929 . 1 . 1 78 78 PRO CB C 13 33.362 0.3 . 1 . . . . . 78 PRO CB . 50448 1 930 . 1 . 1 78 78 PRO CG C 13 26.094 0.3 . 1 . . . . . 78 PRO CG . 50448 1 931 . 1 . 1 78 78 PRO CD C 13 49.658 0.3 . 1 . . . . . 78 PRO CD . 50448 1 932 . 1 . 1 79 79 THR H H 1 8.560 0.020 . 1 . . . . . 79 THR H . 50448 1 933 . 1 . 1 79 79 THR HA H 1 4.941 0.020 . 1 . . . . . 79 THR HA . 50448 1 934 . 1 . 1 79 79 THR HB H 1 4.215 0.020 . 1 . . . . . 79 THR HB . 50448 1 935 . 1 . 1 79 79 THR HG21 H 1 1.227 0.020 . 1 . . . . . 79 THR HG2 . 50448 1 936 . 1 . 1 79 79 THR HG22 H 1 1.227 0.020 . 1 . . . . . 79 THR HG2 . 50448 1 937 . 1 . 1 79 79 THR HG23 H 1 1.227 0.020 . 1 . . . . . 79 THR HG2 . 50448 1 938 . 1 . 1 79 79 THR C C 13 176.211 0.3 . 1 . . . . . 79 THR C . 50448 1 939 . 1 . 1 79 79 THR CA C 13 58.540 0.3 . 1 . . . . . 79 THR CA . 50448 1 940 . 1 . 1 79 79 THR CB C 13 70.417 0.3 . 1 . . . . . 79 THR CB . 50448 1 941 . 1 . 1 79 79 THR CG2 C 13 21.447 0.3 . 1 . . . . . 79 THR CG2 . 50448 1 942 . 1 . 1 79 79 THR N N 15 109.754 0.3 . 1 . . . . . 79 THR N . 50448 1 943 . 1 . 1 82 82 ALA H H 1 7.464 0.020 . 1 . . . . . 82 ALA H . 50448 1 944 . 1 . 1 82 82 ALA HA H 1 4.593 0.020 . 1 . . . . . 82 ALA HA . 50448 1 945 . 1 . 1 82 82 ALA HB1 H 1 1.309 0.020 . 1 . . . . . 82 ALA HB . 50448 1 946 . 1 . 1 82 82 ALA HB2 H 1 1.309 0.020 . 1 . . . . . 82 ALA HB . 50448 1 947 . 1 . 1 82 82 ALA HB3 H 1 1.309 0.020 . 1 . . . . . 82 ALA HB . 50448 1 948 . 1 . 1 82 82 ALA C C 13 177.694 0.3 . 1 . . . . . 82 ALA C . 50448 1 949 . 1 . 1 82 82 ALA CA C 13 51.028 0.3 . 1 . . . . . 82 ALA CA . 50448 1 950 . 1 . 1 82 82 ALA CB C 13 18.546 0.3 . 1 . . . . . 82 ALA CB . 50448 1 951 . 1 . 1 82 82 ALA N N 15 121.673 0.3 . 1 . . . . . 82 ALA N . 50448 1 952 . 1 . 1 83 83 GLY H H 1 7.984 0.020 . 1 . . . . . 83 GLY H . 50448 1 953 . 1 . 1 83 83 GLY HA2 H 1 4.130 0.020 . 2 . . . . . 83 GLY HA1 . 50448 1 954 . 1 . 1 83 83 GLY HA3 H 1 3.628 0.020 . 2 . . . . . 83 GLY HA2 . 50448 1 955 . 1 . 1 83 83 GLY C C 13 174.591 0.3 . 1 . . . . . 83 GLY C . 50448 1 956 . 1 . 1 83 83 GLY CA C 13 45.337 0.3 . 1 . . . . . 83 GLY CA . 50448 1 957 . 1 . 1 83 83 GLY N N 15 108.139 0.3 . 1 . . . . . 83 GLY N . 50448 1 958 . 1 . 1 84 84 GLY H H 1 8.237 0.020 . 1 . . . . . 84 GLY H . 50448 1 959 . 1 . 1 84 84 GLY HA2 H 1 4.180 0.020 . 2 . . . . . 84 GLY HA1 . 50448 1 960 . 1 . 1 84 84 GLY HA3 H 1 3.250 0.020 . 2 . . . . . 84 GLY HA2 . 50448 1 961 . 1 . 1 84 84 GLY C C 13 173.011 0.3 . 1 . . . . . 84 GLY C . 50448 1 962 . 1 . 1 84 84 GLY CA C 13 46.338 0.3 . 1 . . . . . 84 GLY CA . 50448 1 963 . 1 . 1 84 84 GLY N N 15 107.745 0.3 . 1 . . . . . 84 GLY N . 50448 1 964 . 1 . 1 85 85 THR H H 1 7.103 0.020 . 1 . . . . . 85 THR H . 50448 1 965 . 1 . 1 85 85 THR HA H 1 4.949 0.020 . 1 . . . . . 85 THR HA . 50448 1 966 . 1 . 1 85 85 THR HB H 1 4.808 0.020 . 1 . . . . . 85 THR HB . 50448 1 967 . 1 . 1 85 85 THR HG21 H 1 1.250 0.020 . 1 . . . . . 85 THR HG2 . 50448 1 968 . 1 . 1 85 85 THR HG22 H 1 1.250 0.020 . 1 . . . . . 85 THR HG2 . 50448 1 969 . 1 . 1 85 85 THR HG23 H 1 1.250 0.020 . 1 . . . . . 85 THR HG2 . 50448 1 970 . 1 . 1 85 85 THR C C 13 178.878 0.3 . 1 . . . . . 85 THR C . 50448 1 971 . 1 . 1 85 85 THR CA C 13 58.858 0.3 . 1 . . . . . 85 THR CA . 50448 1 972 . 1 . 1 85 85 THR CB C 13 72.991 0.3 . 1 . . . . . 85 THR CB . 50448 1 973 . 1 . 1 85 85 THR CG2 C 13 21.312 0.3 . 1 . . . . . 85 THR CG2 . 50448 1 974 . 1 . 1 85 85 THR N N 15 109.734 0.3 . 1 . . . . . 85 THR N . 50448 1 975 . 1 . 1 88 88 MET H H 1 7.867 0.020 . 1 . . . . . 88 MET H . 50448 1 976 . 1 . 1 88 88 MET HA H 1 3.914 0.020 . 1 . . . . . 88 MET HA . 50448 1 977 . 1 . 1 88 88 MET HB2 H 1 2.073 0.020 . 2 . . . . . 88 MET HB2 . 50448 1 978 . 1 . 1 88 88 MET HB3 H 1 1.906 0.020 . 2 . . . . . 88 MET HB3 . 50448 1 979 . 1 . 1 88 88 MET HG2 H 1 2.519 0.020 . 2 . . . . . 88 MET HG2 . 50448 1 980 . 1 . 1 88 88 MET HG3 H 1 2.609 0.020 . 2 . . . . . 88 MET HG3 . 50448 1 981 . 1 . 1 88 88 MET C C 13 178.456 0.3 . 1 . . . . . 88 MET C . 50448 1 982 . 1 . 1 88 88 MET CA C 13 58.577 0.3 . 1 . . . . . 88 MET CA . 50448 1 983 . 1 . 1 88 88 MET CB C 13 34.481 0.3 . 1 . . . . . 88 MET CB . 50448 1 984 . 1 . 1 88 88 MET CG C 13 32.153 0.3 . 1 . . . . . 88 MET CG . 50448 1 985 . 1 . 1 88 88 MET N N 15 118.054 0.3 . 1 . . . . . 88 MET N . 50448 1 986 . 1 . 1 89 89 LEU H H 1 7.485 0.020 . 1 . . . . . 89 LEU H . 50448 1 987 . 1 . 1 89 89 LEU HA H 1 3.585 0.020 . 1 . . . . . 89 LEU HA . 50448 1 988 . 1 . 1 89 89 LEU HB2 H 1 1.660 0.020 . 1 . . . . . 89 LEU HB2 . 50448 1 989 . 1 . 1 89 89 LEU HB3 H 1 1.660 0.020 . 1 . . . . . 89 LEU HB3 . 50448 1 990 . 1 . 1 89 89 LEU HG H 1 1.103 0.020 . 1 . . . . . 89 LEU HG . 50448 1 991 . 1 . 1 89 89 LEU HD11 H 1 0.302 0.020 . 1 . . . . . 89 LEU HD1 . 50448 1 992 . 1 . 1 89 89 LEU HD12 H 1 0.302 0.020 . 1 . . . . . 89 LEU HD1 . 50448 1 993 . 1 . 1 89 89 LEU HD13 H 1 0.302 0.020 . 1 . . . . . 89 LEU HD1 . 50448 1 994 . 1 . 1 89 89 LEU HD21 H 1 -0.399 0.020 . 1 . . . . . 89 LEU HD2 . 50448 1 995 . 1 . 1 89 89 LEU HD22 H 1 -0.399 0.020 . 1 . . . . . 89 LEU HD2 . 50448 1 996 . 1 . 1 89 89 LEU HD23 H 1 -0.399 0.020 . 1 . . . . . 89 LEU HD2 . 50448 1 997 . 1 . 1 89 89 LEU C C 13 176.895 0.3 . 1 . . . . . 89 LEU C . 50448 1 998 . 1 . 1 89 89 LEU CA C 13 57.704 0.3 . 1 . . . . . 89 LEU CA . 50448 1 999 . 1 . 1 89 89 LEU CB C 13 40.696 0.3 . 1 . . . . . 89 LEU CB . 50448 1 1000 . 1 . 1 89 89 LEU CG C 13 26.201 0.3 . 1 . . . . . 89 LEU CG . 50448 1 1001 . 1 . 1 89 89 LEU CD1 C 13 23.546 0.3 . 1 . . . . . 89 LEU CD1 . 50448 1 1002 . 1 . 1 89 89 LEU CD2 C 13 23.285 0.3 . 1 . . . . . 89 LEU CD2 . 50448 1 1003 . 1 . 1 89 89 LEU N N 15 120.833 0.3 . 1 . . . . . 89 LEU N . 50448 1 1004 . 1 . 1 90 90 ALA H H 1 8.147 0.020 . 1 . . . . . 90 ALA H . 50448 1 1005 . 1 . 1 90 90 ALA HA H 1 3.755 0.020 . 1 . . . . . 90 ALA HA . 50448 1 1006 . 1 . 1 90 90 ALA HB1 H 1 1.345 0.020 . 1 . . . . . 90 ALA HB . 50448 1 1007 . 1 . 1 90 90 ALA HB2 H 1 1.345 0.020 . 1 . . . . . 90 ALA HB . 50448 1 1008 . 1 . 1 90 90 ALA HB3 H 1 1.345 0.020 . 1 . . . . . 90 ALA HB . 50448 1 1009 . 1 . 1 90 90 ALA C C 13 179.660 0.3 . 1 . . . . . 90 ALA C . 50448 1 1010 . 1 . 1 90 90 ALA CA C 13 55.340 0.3 . 1 . . . . . 90 ALA CA . 50448 1 1011 . 1 . 1 90 90 ALA CB C 13 17.697 0.3 . 1 . . . . . 90 ALA CB . 50448 1 1012 . 1 . 1 90 90 ALA N N 15 120.341 0.3 . 1 . . . . . 90 ALA N . 50448 1 1013 . 1 . 1 91 91 LYS H H 1 8.110 0.020 . 1 . . . . . 91 LYS H . 50448 1 1014 . 1 . 1 91 91 LYS HA H 1 3.709 0.020 . 1 . . . . . 91 LYS HA . 50448 1 1015 . 1 . 1 91 91 LYS HB2 H 1 1.757 0.020 . 1 . . . . . 91 LYS HB2 . 50448 1 1016 . 1 . 1 91 91 LYS HB3 H 1 1.757 0.020 . 1 . . . . . 91 LYS HB3 . 50448 1 1017 . 1 . 1 91 91 LYS HG2 H 1 1.262 0.020 . 2 . . . . . 91 LYS HG2 . 50448 1 1018 . 1 . 1 91 91 LYS HG3 H 1 1.518 0.020 . 2 . . . . . 91 LYS HG3 . 50448 1 1019 . 1 . 1 91 91 LYS HD2 H 1 1.545 0.020 . 1 . . . . . 91 LYS HD2 . 50448 1 1020 . 1 . 1 91 91 LYS HD3 H 1 1.545 0.020 . 1 . . . . . 91 LYS HD3 . 50448 1 1021 . 1 . 1 91 91 LYS HE2 H 1 2.833 0.020 . 1 . . . . . 91 LYS HE2 . 50448 1 1022 . 1 . 1 91 91 LYS HE3 H 1 2.833 0.020 . 1 . . . . . 91 LYS HE3 . 50448 1 1023 . 1 . 1 91 91 LYS C C 13 178.862 0.3 . 1 . . . . . 91 LYS C . 50448 1 1024 . 1 . 1 91 91 LYS CA C 13 59.605 0.3 . 1 . . . . . 91 LYS CA . 50448 1 1025 . 1 . 1 91 91 LYS CB C 13 32.415 0.3 . 1 . . . . . 91 LYS CB . 50448 1 1026 . 1 . 1 91 91 LYS CG C 13 25.862 0.3 . 1 . . . . . 91 LYS CG . 50448 1 1027 . 1 . 1 91 91 LYS CD C 13 29.622 0.3 . 1 . . . . . 91 LYS CD . 50448 1 1028 . 1 . 1 91 91 LYS CE C 13 42.062 0.3 . 1 . . . . . 91 LYS CE . 50448 1 1029 . 1 . 1 91 91 LYS N N 15 117.180 0.3 . 1 . . . . . 91 LYS N . 50448 1 1030 . 1 . 1 92 92 ALA H H 1 7.551 0.020 . 1 . . . . . 92 ALA H . 50448 1 1031 . 1 . 1 92 92 ALA HA H 1 3.969 0.020 . 1 . . . . . 92 ALA HA . 50448 1 1032 . 1 . 1 92 92 ALA HB1 H 1 1.382 0.020 . 1 . . . . . 92 ALA HB . 50448 1 1033 . 1 . 1 92 92 ALA HB2 H 1 1.382 0.020 . 1 . . . . . 92 ALA HB . 50448 1 1034 . 1 . 1 92 92 ALA HB3 H 1 1.382 0.020 . 1 . . . . . 92 ALA HB . 50448 1 1035 . 1 . 1 92 92 ALA C C 13 177.944 0.3 . 1 . . . . . 92 ALA C . 50448 1 1036 . 1 . 1 92 92 ALA CA C 13 54.712 0.3 . 1 . . . . . 92 ALA CA . 50448 1 1037 . 1 . 1 92 92 ALA CB C 13 17.744 0.3 . 1 . . . . . 92 ALA CB . 50448 1 1038 . 1 . 1 92 92 ALA N N 15 119.894 0.3 . 1 . . . . . 92 ALA N . 50448 1 1039 . 1 . 1 93 93 LEU H H 1 7.606 0.020 . 1 . . . . . 93 LEU H . 50448 1 1040 . 1 . 1 93 93 LEU HA H 1 3.931 0.020 . 1 . . . . . 93 LEU HA . 50448 1 1041 . 1 . 1 93 93 LEU HB2 H 1 1.672 0.020 . 2 . . . . . 93 LEU HB2 . 50448 1 1042 . 1 . 1 93 93 LEU HB3 H 1 1.486 0.020 . 2 . . . . . 93 LEU HB3 . 50448 1 1043 . 1 . 1 93 93 LEU HG H 1 1.520 0.020 . 1 . . . . . 93 LEU HG . 50448 1 1044 . 1 . 1 93 93 LEU HD11 H 1 0.699 0.020 . 2 . . . . . 93 LEU HD1 . 50448 1 1045 . 1 . 1 93 93 LEU HD12 H 1 0.699 0.020 . 2 . . . . . 93 LEU HD1 . 50448 1 1046 . 1 . 1 93 93 LEU HD13 H 1 0.699 0.020 . 2 . . . . . 93 LEU HD1 . 50448 1 1047 . 1 . 1 93 93 LEU HD21 H 1 0.589 0.020 . 1 . . . . . 93 LEU HD2 . 50448 1 1048 . 1 . 1 93 93 LEU HD22 H 1 0.589 0.020 . 1 . . . . . 93 LEU HD2 . 50448 1 1049 . 1 . 1 93 93 LEU HD23 H 1 0.589 0.020 . 1 . . . . . 93 LEU HD2 . 50448 1 1050 . 1 . 1 93 93 LEU C C 13 179.876 0.3 . 1 . . . . . 93 LEU C . 50448 1 1051 . 1 . 1 93 93 LEU CA C 13 54.809 0.3 . 1 . . . . . 93 LEU CA . 50448 1 1052 . 1 . 1 93 93 LEU CB C 13 39.870 0.3 . 1 . . . . . 93 LEU CB . 50448 1 1053 . 1 . 1 93 93 LEU CG C 13 28.969 0.3 . 1 . . . . . 93 LEU CG . 50448 1 1054 . 1 . 1 93 93 LEU CD1 C 13 24.596 0.3 . 1 . . . . . 93 LEU CD1 . 50448 1 1055 . 1 . 1 93 93 LEU CD2 C 13 22.436 0.3 . 1 . . . . . 93 LEU CD2 . 50448 1 1056 . 1 . 1 93 93 LEU N N 15 117.171 0.3 . 1 . . . . . 93 LEU N . 50448 1 1057 . 1 . 1 94 94 ARG H H 1 7.902 0.020 . 1 . . . . . 94 ARG H . 50448 1 1058 . 1 . 1 94 94 ARG HA H 1 4.099 0.020 . 1 . . . . . 94 ARG HA . 50448 1 1059 . 1 . 1 94 94 ARG HB2 H 1 1.852 0.020 . 2 . . . . . 94 ARG HB2 . 50448 1 1060 . 1 . 1 94 94 ARG HB3 H 1 1.819 0.020 . 2 . . . . . 94 ARG HB3 . 50448 1 1061 . 1 . 1 94 94 ARG HG2 H 1 1.679 0.020 . 2 . . . . . 94 ARG HG2 . 50448 1 1062 . 1 . 1 94 94 ARG HG3 H 1 1.782 0.020 . 2 . . . . . 94 ARG HG3 . 50448 1 1063 . 1 . 1 94 94 ARG HD2 H 1 3.105 0.020 . 1 . . . . . 94 ARG HD2 . 50448 1 1064 . 1 . 1 94 94 ARG HD3 H 1 3.105 0.020 . 1 . . . . . 94 ARG HD3 . 50448 1 1065 . 1 . 1 94 94 ARG C C 13 177.169 0.3 . 1 . . . . . 94 ARG C . 50448 1 1066 . 1 . 1 94 94 ARG CA C 13 58.471 0.3 . 1 . . . . . 94 ARG CA . 50448 1 1067 . 1 . 1 94 94 ARG CB C 13 30.327 0.3 . 1 . . . . . 94 ARG CB . 50448 1 1068 . 1 . 1 94 94 ARG CG C 13 28.401 0.3 . 1 . . . . . 94 ARG CG . 50448 1 1069 . 1 . 1 94 94 ARG CD C 13 43.694 0.3 . 1 . . . . . 94 ARG CD . 50448 1 1070 . 1 . 1 94 94 ARG N N 15 118.277 0.3 . 1 . . . . . 94 ARG N . 50448 1 1071 . 1 . 1 95 95 LYS H H 1 7.625 0.020 . 1 . . . . . 95 LYS H . 50448 1 1072 . 1 . 1 95 95 LYS HA H 1 4.104 0.020 . 1 . . . . . 95 LYS HA . 50448 1 1073 . 1 . 1 95 95 LYS HB2 H 1 1.958 0.020 . 2 . . . . . 95 LYS HB2 . 50448 1 1074 . 1 . 1 95 95 LYS HB3 H 1 1.882 0.020 . 2 . . . . . 95 LYS HB3 . 50448 1 1075 . 1 . 1 95 95 LYS HG2 H 1 1.264 0.020 . 2 . . . . . 95 LYS HG2 . 50448 1 1076 . 1 . 1 95 95 LYS HG3 H 1 1.522 0.020 . 2 . . . . . 95 LYS HG3 . 50448 1 1077 . 1 . 1 95 95 LYS HD2 H 1 1.560 0.020 . 1 . . . . . 95 LYS HD2 . 50448 1 1078 . 1 . 1 95 95 LYS HD3 H 1 1.560 0.020 . 1 . . . . . 95 LYS HD3 . 50448 1 1079 . 1 . 1 95 95 LYS HE2 H 1 2.838 0.020 . 1 . . . . . 95 LYS HE2 . 50448 1 1080 . 1 . 1 95 95 LYS HE3 H 1 2.838 0.020 . 1 . . . . . 95 LYS HE3 . 50448 1 1081 . 1 . 1 95 95 LYS C C 13 177.317 0.3 . 1 . . . . . 95 LYS C . 50448 1 1082 . 1 . 1 95 95 LYS CA C 13 56.497 0.3 . 1 . . . . . 95 LYS CA . 50448 1 1083 . 1 . 1 95 95 LYS CB C 13 32.792 0.3 . 1 . . . . . 95 LYS CB . 50448 1 1084 . 1 . 1 95 95 LYS CG C 13 25.488 0.3 . 1 . . . . . 95 LYS CG . 50448 1 1085 . 1 . 1 95 95 LYS CD C 13 29.128 0.3 . 1 . . . . . 95 LYS CD . 50448 1 1086 . 1 . 1 95 95 LYS CE C 13 42.094 0.3 . 1 . . . . . 95 LYS CE . 50448 1 1087 . 1 . 1 95 95 LYS N N 15 116.778 0.3 . 1 . . . . . 95 LYS N . 50448 1 1088 . 1 . 1 96 96 VAL H H 1 7.337 0.020 . 1 . . . . . 96 VAL H . 50448 1 1089 . 1 . 1 96 96 VAL HA H 1 3.684 0.020 . 1 . . . . . 96 VAL HA . 50448 1 1090 . 1 . 1 96 96 VAL HB H 1 2.164 0.020 . 1 . . . . . 96 VAL HB . 50448 1 1091 . 1 . 1 96 96 VAL HG11 H 1 0.871 0.020 . 1 . . . . . 96 VAL HG1 . 50448 1 1092 . 1 . 1 96 96 VAL HG12 H 1 0.871 0.020 . 1 . . . . . 96 VAL HG1 . 50448 1 1093 . 1 . 1 96 96 VAL HG13 H 1 0.871 0.020 . 1 . . . . . 96 VAL HG1 . 50448 1 1094 . 1 . 1 96 96 VAL HG21 H 1 0.731 0.020 . 1 . . . . . 96 VAL HG2 . 50448 1 1095 . 1 . 1 96 96 VAL HG22 H 1 0.731 0.020 . 1 . . . . . 96 VAL HG2 . 50448 1 1096 . 1 . 1 96 96 VAL HG23 H 1 0.731 0.020 . 1 . . . . . 96 VAL HG2 . 50448 1 1097 . 1 . 1 96 96 VAL C C 13 174.591 0.3 . 1 . . . . . 96 VAL C . 50448 1 1098 . 1 . 1 96 96 VAL CA C 13 61.636 0.3 . 1 . . . . . 96 VAL CA . 50448 1 1099 . 1 . 1 96 96 VAL CB C 13 32.162 0.3 . 1 . . . . . 96 VAL CB . 50448 1 1100 . 1 . 1 96 96 VAL CG1 C 13 23.497 0.3 . 1 . . . . . 96 VAL CG1 . 50448 1 1101 . 1 . 1 96 96 VAL CG2 C 13 21.483 0.3 . 1 . . . . . 96 VAL CG2 . 50448 1 1102 . 1 . 1 96 96 VAL N N 15 121.914 0.3 . 1 . . . . . 96 VAL N . 50448 1 1103 . 1 . 1 97 97 PRO HA H 1 4.282 0.020 . 1 . . . . . 97 PRO HA . 50448 1 1104 . 1 . 1 97 97 PRO HB2 H 1 2.305 0.020 . 2 . . . . . 97 PRO HB2 . 50448 1 1105 . 1 . 1 97 97 PRO HB3 H 1 1.729 0.020 . 2 . . . . . 97 PRO HB3 . 50448 1 1106 . 1 . 1 97 97 PRO HG2 H 1 2.028 0.020 . 2 . . . . . 97 PRO HG2 . 50448 1 1107 . 1 . 1 97 97 PRO HG3 H 1 1.915 0.020 . 2 . . . . . 97 PRO HG3 . 50448 1 1108 . 1 . 1 97 97 PRO HD2 H 1 3.984 0.020 . 1 . . . . . 97 PRO HD2 . 50448 1 1109 . 1 . 1 97 97 PRO HD3 H 1 3.984 0.020 . 1 . . . . . 97 PRO HD3 . 50448 1 1110 . 1 . 1 97 97 PRO C C 13 176.900 0.3 . 1 . . . . . 97 PRO C . 50448 1 1111 . 1 . 1 97 97 PRO CA C 13 63.153 0.3 . 1 . . . . . 97 PRO CA . 50448 1 1112 . 1 . 1 97 97 PRO CB C 13 32.377 0.3 . 1 . . . . . 97 PRO CB . 50448 1 1113 . 1 . 1 97 97 PRO CG C 13 27.777 0.3 . 1 . . . . . 97 PRO CG . 50448 1 1114 . 1 . 1 97 97 PRO CD C 13 51.186 0.3 . 1 . . . . . 97 PRO CD . 50448 1 1115 . 1 . 1 98 98 THR H H 1 8.678 0.020 . 1 . . . . . 98 THR H . 50448 1 1116 . 1 . 1 98 98 THR HA H 1 4.088 0.020 . 1 . . . . . 98 THR HA . 50448 1 1117 . 1 . 1 98 98 THR HB H 1 3.868 0.020 . 1 . . . . . 98 THR HB . 50448 1 1118 . 1 . 1 98 98 THR HG21 H 1 0.890 0.020 . 1 . . . . . 98 THR HG2 . 50448 1 1119 . 1 . 1 98 98 THR HG22 H 1 0.890 0.020 . 1 . . . . . 98 THR HG2 . 50448 1 1120 . 1 . 1 98 98 THR HG23 H 1 0.890 0.020 . 1 . . . . . 98 THR HG2 . 50448 1 1121 . 1 . 1 98 98 THR C C 13 173.968 0.3 . 1 . . . . . 98 THR C . 50448 1 1122 . 1 . 1 98 98 THR CA C 13 63.585 0.3 . 1 . . . . . 98 THR CA . 50448 1 1123 . 1 . 1 98 98 THR CB C 13 68.861 0.3 . 1 . . . . . 98 THR CB . 50448 1 1124 . 1 . 1 98 98 THR CG2 C 13 22.222 0.3 . 1 . . . . . 98 THR CG2 . 50448 1 1125 . 1 . 1 98 98 THR N N 15 122.804 0.3 . 1 . . . . . 98 THR N . 50448 1 1126 . 1 . 1 99 99 ASP H H 1 8.905 0.020 . 1 . . . . . 99 ASP H . 50448 1 1127 . 1 . 1 99 99 ASP HA H 1 4.098 0.020 . 1 . . . . . 99 ASP HA . 50448 1 1128 . 1 . 1 99 99 ASP HB2 H 1 2.048 0.020 . 2 . . . . . 99 ASP HB2 . 50448 1 1129 . 1 . 1 99 99 ASP HB3 H 1 1.581 0.020 . 2 . . . . . 99 ASP HB3 . 50448 1 1130 . 1 . 1 99 99 ASP C C 13 173.575 0.3 . 1 . . . . . 99 ASP C . 50448 1 1131 . 1 . 1 99 99 ASP CA C 13 53.356 0.3 . 1 . . . . . 99 ASP CA . 50448 1 1132 . 1 . 1 99 99 ASP CB C 13 42.573 0.3 . 1 . . . . . 99 ASP CB . 50448 1 1133 . 1 . 1 99 99 ASP N N 15 130.737 0.3 . 1 . . . . . 99 ASP N . 50448 1 1134 . 1 . 1 100 100 ASN H H 1 9.723 0.020 . 1 . . . . . 100 ASN H . 50448 1 1135 . 1 . 1 100 100 ASN HA H 1 5.375 0.020 . 1 . . . . . 100 ASN HA . 50448 1 1136 . 1 . 1 100 100 ASN HB2 H 1 2.233 0.020 . 2 . . . . . 100 ASN HB2 . 50448 1 1137 . 1 . 1 100 100 ASN HB3 H 1 2.524 0.020 . 2 . . . . . 100 ASN HB3 . 50448 1 1138 . 1 . 1 100 100 ASN C C 13 174.725 0.3 . 1 . . . . . 100 ASN C . 50448 1 1139 . 1 . 1 100 100 ASN CA C 13 51.830 0.3 . 1 . . . . . 100 ASN CA . 50448 1 1140 . 1 . 1 100 100 ASN CB C 13 40.541 0.3 . 1 . . . . . 100 ASN CB . 50448 1 1141 . 1 . 1 100 100 ASN N N 15 117.448 0.3 . 1 . . . . . 100 ASN N . 50448 1 1142 . 1 . 1 101 101 TYR H H 1 9.207 0.020 . 1 . . . . . 101 TYR H . 50448 1 1143 . 1 . 1 101 101 TYR HA H 1 4.775 0.020 . 1 . . . . . 101 TYR HA . 50448 1 1144 . 1 . 1 101 101 TYR HB2 H 1 2.456 0.020 . 2 . . . . . 101 TYR HB2 . 50448 1 1145 . 1 . 1 101 101 TYR HB3 H 1 2.760 0.020 . 2 . . . . . 101 TYR HB3 . 50448 1 1146 . 1 . 1 101 101 TYR C C 13 175.060 0.3 . 1 . . . . . 101 TYR C . 50448 1 1147 . 1 . 1 101 101 TYR CA C 13 58.266 0.3 . 1 . . . . . 101 TYR CA . 50448 1 1148 . 1 . 1 101 101 TYR CB C 13 44.222 0.3 . 1 . . . . . 101 TYR CB . 50448 1 1149 . 1 . 1 101 101 TYR N N 15 118.434 0.3 . 1 . . . . . 101 TYR N . 50448 1 1150 . 1 . 1 102 102 ILE H H 1 8.949 0.020 . 1 . . . . . 102 ILE H . 50448 1 1151 . 1 . 1 102 102 ILE HA H 1 4.915 0.020 . 1 . . . . . 102 ILE HA . 50448 1 1152 . 1 . 1 102 102 ILE HB H 1 1.812 0.020 . 1 . . . . . 102 ILE HB . 50448 1 1153 . 1 . 1 102 102 ILE HG12 H 1 0.759 0.020 . 2 . . . . . 102 ILE HG12 . 50448 1 1154 . 1 . 1 102 102 ILE HG13 H 1 1.697 0.020 . 2 . . . . . 102 ILE HG13 . 50448 1 1155 . 1 . 1 102 102 ILE HG21 H 1 0.67 0.020 . 1 . . . . . 102 ILE HG2 . 50448 1 1156 . 1 . 1 102 102 ILE HG22 H 1 0.67 0.020 . 1 . . . . . 102 ILE HG2 . 50448 1 1157 . 1 . 1 102 102 ILE HG23 H 1 0.67 0.020 . 1 . . . . . 102 ILE HG2 . 50448 1 1158 . 1 . 1 102 102 ILE HD11 H 1 0.82 0.020 . 1 . . . . . 102 ILE HD1 . 50448 1 1159 . 1 . 1 102 102 ILE HD12 H 1 0.82 0.020 . 1 . . . . . 102 ILE HD1 . 50448 1 1160 . 1 . 1 102 102 ILE HD13 H 1 0.82 0.020 . 1 . . . . . 102 ILE HD1 . 50448 1 1161 . 1 . 1 102 102 ILE C C 13 175.631 0.3 . 1 . . . . . 102 ILE C . 50448 1 1162 . 1 . 1 102 102 ILE CA C 13 61.358 0.3 . 1 . . . . . 102 ILE CA . 50448 1 1163 . 1 . 1 102 102 ILE CB C 13 37.958 0.3 . 1 . . . . . 102 ILE CB . 50448 1 1164 . 1 . 1 102 102 ILE CG1 C 13 28.456 0.3 . 1 . . . . . 102 ILE CG1 . 50448 1 1165 . 1 . 1 102 102 ILE CG2 C 13 17.80 0.3 . 1 . . . . . 102 ILE CG2 . 50448 1 1166 . 1 . 1 102 102 ILE CD1 C 13 14.990 0.3 . 1 . . . . . 102 ILE CD1 . 50448 1 1167 . 1 . 1 102 102 ILE N N 15 123.074 0.3 . 1 . . . . . 102 ILE N . 50448 1 1168 . 1 . 1 103 103 THR H H 1 9.222 0.020 . 1 . . . . . 103 THR H . 50448 1 1169 . 1 . 1 103 103 THR HA H 1 4.636 0.020 . 1 . . . . . 103 THR HA . 50448 1 1170 . 1 . 1 103 103 THR HB H 1 4.240 0.020 . 1 . . . . . 103 THR HB . 50448 1 1171 . 1 . 1 103 103 THR HG21 H 1 1.389 0.020 . 1 . . . . . 103 THR HG2 . 50448 1 1172 . 1 . 1 103 103 THR HG22 H 1 1.389 0.020 . 1 . . . . . 103 THR HG2 . 50448 1 1173 . 1 . 1 103 103 THR HG23 H 1 1.389 0.020 . 1 . . . . . 103 THR HG2 . 50448 1 1174 . 1 . 1 103 103 THR C C 13 171.086 0.3 . 1 . . . . . 103 THR C . 50448 1 1175 . 1 . 1 103 103 THR CA C 13 59.674 0.3 . 1 . . . . . 103 THR CA . 50448 1 1176 . 1 . 1 103 103 THR CB C 13 69.679 0.3 . 1 . . . . . 103 THR CB . 50448 1 1177 . 1 . 1 103 103 THR CG2 C 13 21.559 0.3 . 1 . . . . . 103 THR CG2 . 50448 1 1178 . 1 . 1 103 103 THR N N 15 121.607 0.3 . 1 . . . . . 103 THR N . 50448 1 1179 . 1 . 1 104 104 THR H H 1 8.895 0.020 . 1 . . . . . 104 THR H . 50448 1 1180 . 1 . 1 104 104 THR HA H 1 4.620 0.020 . 1 . . . . . 104 THR HA . 50448 1 1181 . 1 . 1 104 104 THR HB H 1 4.249 0.020 . 1 . . . . . 104 THR HB . 50448 1 1182 . 1 . 1 104 104 THR HG21 H 1 0.970 0.020 . 1 . . . . . 104 THR HG2 . 50448 1 1183 . 1 . 1 104 104 THR HG22 H 1 0.970 0.020 . 1 . . . . . 104 THR HG2 . 50448 1 1184 . 1 . 1 104 104 THR HG23 H 1 0.970 0.020 . 1 . . . . . 104 THR HG2 . 50448 1 1185 . 1 . 1 104 104 THR C C 13 174.045 0.3 . 1 . . . . . 104 THR C . 50448 1 1186 . 1 . 1 104 104 THR CA C 13 59.132 0.3 . 1 . . . . . 104 THR CA . 50448 1 1187 . 1 . 1 104 104 THR CB C 13 71.539 0.3 . 1 . . . . . 104 THR CB . 50448 1 1188 . 1 . 1 104 104 THR CG2 C 13 22.222 0.3 . 1 . . . . . 104 THR CG2 . 50448 1 1189 . 1 . 1 104 104 THR N N 15 109.390 0.3 . 1 . . . . . 104 THR N . 50448 1 1190 . 1 . 1 105 105 TYR H H 1 9.281 0.020 . 1 . . . . . 105 TYR H . 50448 1 1191 . 1 . 1 105 105 TYR HA H 1 4.200 0.020 . 1 . . . . . 105 TYR HA . 50448 1 1192 . 1 . 1 105 105 TYR HB2 H 1 2.484 0.020 . 2 . . . . . 105 TYR HB2 . 50448 1 1193 . 1 . 1 105 105 TYR HB3 H 1 2.385 0.020 . 2 . . . . . 105 TYR HB3 . 50448 1 1194 . 1 . 1 105 105 TYR C C 13 175.093 0.3 . 1 . . . . . 105 TYR C . 50448 1 1195 . 1 . 1 105 105 TYR CA C 13 58.227 0.3 . 1 . . . . . 105 TYR CA . 50448 1 1196 . 1 . 1 105 105 TYR CB C 13 36.712 0.3 . 1 . . . . . 105 TYR CB . 50448 1 1197 . 1 . 1 105 105 TYR N N 15 120.376 0.3 . 1 . . . . . 105 TYR N . 50448 1 1198 . 1 . 1 106 106 PRO HA H 1 2.974 0.020 . 1 . . . . . 106 PRO HA . 50448 1 1199 . 1 . 1 106 106 PRO HB2 H 1 1.314 0.020 . 2 . . . . . 106 PRO HB2 . 50448 1 1200 . 1 . 1 106 106 PRO HB3 H 1 0.933 0.020 . 2 . . . . . 106 PRO HB3 . 50448 1 1201 . 1 . 1 106 106 PRO HG2 H 1 1.500 0.020 . 1 . . . . . 106 PRO HG2 . 50448 1 1202 . 1 . 1 106 106 PRO HG3 H 1 1.500 0.020 . 1 . . . . . 106 PRO HG3 . 50448 1 1203 . 1 . 1 106 106 PRO HD2 H 1 3.411 0.020 . 1 . . . . . 106 PRO HD2 . 50448 1 1204 . 1 . 1 106 106 PRO HD3 H 1 3.411 0.020 . 1 . . . . . 106 PRO HD3 . 50448 1 1205 . 1 . 1 106 106 PRO C C 13 177.148 0.3 . 1 . . . . . 106 PRO C . 50448 1 1206 . 1 . 1 106 106 PRO CA C 13 62.451 0.3 . 1 . . . . . 106 PRO CA . 50448 1 1207 . 1 . 1 106 106 PRO CB C 13 31.313 0.3 . 1 . . . . . 106 PRO CB . 50448 1 1208 . 1 . 1 106 106 PRO CG C 13 26.596 0.3 . 1 . . . . . 106 PRO CG . 50448 1 1209 . 1 . 1 106 106 PRO CD C 13 50.751 0.3 . 1 . . . . . 106 PRO CD . 50448 1 1210 . 1 . 1 107 107 GLY H H 1 7.752 0.020 . 1 . . . . . 107 GLY H . 50448 1 1211 . 1 . 1 107 107 GLY HA2 H 1 3.628 0.020 . 2 . . . . . 107 GLY HA1 . 50448 1 1212 . 1 . 1 107 107 GLY HA3 H 1 3.031 0.020 . 2 . . . . . 107 GLY HA2 . 50448 1 1213 . 1 . 1 107 107 GLY C C 13 172.952 0.3 . 1 . . . . . 107 GLY C . 50448 1 1214 . 1 . 1 107 107 GLY CA C 13 46.314 0.3 . 1 . . . . . 107 GLY CA . 50448 1 1215 . 1 . 1 107 107 GLY N N 15 105.130 0.3 . 1 . . . . . 107 GLY N . 50448 1 1216 . 1 . 1 108 108 GLN H H 1 6.656 0.020 . 1 . . . . . 108 GLN H . 50448 1 1217 . 1 . 1 108 108 GLN HA H 1 4.317 0.020 . 1 . . . . . 108 GLN HA . 50448 1 1218 . 1 . 1 108 108 GLN HB2 H 1 1.873 0.020 . 2 . . . . . 108 GLN HB2 . 50448 1 1219 . 1 . 1 108 108 GLN HB3 H 1 2.033 0.020 . 2 . . . . . 108 GLN HB3 . 50448 1 1220 . 1 . 1 108 108 GLN HG2 H 1 2.258 0.020 . 1 . . . . . 108 GLN HG2 . 50448 1 1221 . 1 . 1 108 108 GLN HG3 H 1 2.258 0.020 . 1 . . . . . 108 GLN HG3 . 50448 1 1222 . 1 . 1 108 108 GLN C C 13 176.298 0.3 . 1 . . . . . 108 GLN C . 50448 1 1223 . 1 . 1 108 108 GLN CA C 13 53.786 0.3 . 1 . . . . . 108 GLN CA . 50448 1 1224 . 1 . 1 108 108 GLN CB C 13 29.449 0.3 . 1 . . . . . 108 GLN CB . 50448 1 1225 . 1 . 1 108 108 GLN CG C 13 34.002 0.3 . 1 . . . . . 108 GLN CG . 50448 1 1226 . 1 . 1 108 108 GLN N N 15 114.089 0.3 . 1 . . . . . 108 GLN N . 50448 1 1227 . 1 . 1 109 109 GLY H H 1 8.547 0.020 . 1 . . . . . 109 GLY H . 50448 1 1228 . 1 . 1 109 109 GLY HA2 H 1 4.178 0.020 . 1 . . . . . 109 GLY HA1 . 50448 1 1229 . 1 . 1 109 109 GLY HA3 H 1 4.178 0.020 . 1 . . . . . 109 GLY HA2 . 50448 1 1230 . 1 . 1 109 109 GLY C C 13 177.324 0.3 . 1 . . . . . 109 GLY C . 50448 1 1231 . 1 . 1 109 109 GLY CA C 13 46.534 0.3 . 1 . . . . . 109 GLY CA . 50448 1 1232 . 1 . 1 109 109 GLY N N 15 108.367 0.3 . 1 . . . . . 109 GLY N . 50448 1 1233 . 1 . 1 112 112 GLY H H 1 7.729 0.020 . 1 . . . . . 112 GLY H . 50448 1 1234 . 1 . 1 112 112 GLY HA2 H 1 3.630 0.020 . 1 . . . . . 112 GLY HA1 . 50448 1 1235 . 1 . 1 112 112 GLY HA3 H 1 3.630 0.020 . 1 . . . . . 112 GLY HA2 . 50448 1 1236 . 1 . 1 112 112 GLY C C 13 174.726 0.3 . 1 . . . . . 112 GLY C . 50448 1 1237 . 1 . 1 112 112 GLY CA C 13 46.509 0.3 . 1 . . . . . 112 GLY CA . 50448 1 1238 . 1 . 1 112 112 GLY N N 15 101.174 0.3 . 1 . . . . . 112 GLY N . 50448 1 1239 . 1 . 1 113 113 TYR H H 1 8.330 0.020 . 1 . . . . . 113 TYR H . 50448 1 1240 . 1 . 1 113 113 TYR HA H 1 4.451 0.020 . 1 . . . . . 113 TYR HA . 50448 1 1241 . 1 . 1 113 113 TYR HB2 H 1 2.654 0.020 . 1 . . . . . 113 TYR HB2 . 50448 1 1242 . 1 . 1 113 113 TYR HB3 H 1 2.654 0.020 . 1 . . . . . 113 TYR HB3 . 50448 1 1243 . 1 . 1 113 113 TYR C C 13 175.900 0.3 . 1 . . . . . 113 TYR C . 50448 1 1244 . 1 . 1 113 113 TYR CA C 13 58.285 0.3 . 1 . . . . . 113 TYR CA . 50448 1 1245 . 1 . 1 113 113 TYR CB C 13 36.586 0.3 . 1 . . . . . 113 TYR CB . 50448 1 1246 . 1 . 1 113 113 TYR N N 15 119.733 0.3 . 1 . . . . . 113 TYR N . 50448 1 1247 . 1 . 1 114 114 THR H H 1 9.029 0.020 . 1 . . . . . 114 THR H . 50448 1 1248 . 1 . 1 114 114 THR HA H 1 4.664 0.020 . 1 . . . . . 114 THR HA . 50448 1 1249 . 1 . 1 114 114 THR HB H 1 4.674 0.020 . 1 . . . . . 114 THR HB . 50448 1 1250 . 1 . 1 114 114 THR HG21 H 1 1.136 0.020 . 1 . . . . . 114 THR HG2 . 50448 1 1251 . 1 . 1 114 114 THR HG22 H 1 1.136 0.020 . 1 . . . . . 114 THR HG2 . 50448 1 1252 . 1 . 1 114 114 THR HG23 H 1 1.136 0.020 . 1 . . . . . 114 THR HG2 . 50448 1 1253 . 1 . 1 114 114 THR C C 13 176.914 0.3 . 1 . . . . . 114 THR C . 50448 1 1254 . 1 . 1 114 114 THR CA C 13 60.515 0.3 . 1 . . . . . 114 THR CA . 50448 1 1255 . 1 . 1 114 114 THR CB C 13 71.078 0.3 . 1 . . . . . 114 THR CB . 50448 1 1256 . 1 . 1 114 114 THR CG2 C 13 21.744 0.3 . 1 . . . . . 114 THR CG2 . 50448 1 1257 . 1 . 1 114 114 THR N N 15 112.852 0.3 . 1 . . . . . 114 THR N . 50448 1 1258 . 1 . 1 115 115 VAL H H 1 8.723 0.020 . 1 . . . . . 115 VAL H . 50448 1 1259 . 1 . 1 115 115 VAL HA H 1 3.072 0.020 . 1 . . . . . 115 VAL HA . 50448 1 1260 . 1 . 1 115 115 VAL HB H 1 1.725 0.020 . 1 . . . . . 115 VAL HB . 50448 1 1261 . 1 . 1 115 115 VAL HG11 H 1 0.726 0.020 . 1 . . . . . 115 VAL HG1 . 50448 1 1262 . 1 . 1 115 115 VAL HG12 H 1 0.726 0.020 . 1 . . . . . 115 VAL HG1 . 50448 1 1263 . 1 . 1 115 115 VAL HG13 H 1 0.726 0.020 . 1 . . . . . 115 VAL HG1 . 50448 1 1264 . 1 . 1 115 115 VAL HG21 H 1 0.341 0.020 . 1 . . . . . 115 VAL HG2 . 50448 1 1265 . 1 . 1 115 115 VAL HG22 H 1 0.341 0.020 . 1 . . . . . 115 VAL HG2 . 50448 1 1266 . 1 . 1 115 115 VAL HG23 H 1 0.341 0.020 . 1 . . . . . 115 VAL HG2 . 50448 1 1267 . 1 . 1 115 115 VAL C C 13 177.311 0.3 . 1 . . . . . 115 VAL C . 50448 1 1268 . 1 . 1 115 115 VAL CA C 13 67.053 0.3 . 1 . . . . . 115 VAL CA . 50448 1 1269 . 1 . 1 115 115 VAL CB C 13 31.208 0.3 . 1 . . . . . 115 VAL CB . 50448 1 1270 . 1 . 1 115 115 VAL CG1 C 13 23.373 0.3 . 1 . . . . . 115 VAL CG1 . 50448 1 1271 . 1 . 1 115 115 VAL CG2 C 13 20.882 0.3 . 1 . . . . . 115 VAL CG2 . 50448 1 1272 . 1 . 1 115 115 VAL N N 15 123.237 0.3 . 1 . . . . . 115 VAL N . 50448 1 1273 . 1 . 1 116 116 GLU H H 1 8.156 0.020 . 1 . . . . . 116 GLU H . 50448 1 1274 . 1 . 1 116 116 GLU HA H 1 3.715 0.020 . 1 . . . . . 116 GLU HA . 50448 1 1275 . 1 . 1 116 116 GLU HB2 H 1 1.929 0.020 . 2 . . . . . 116 GLU HB2 . 50448 1 1276 . 1 . 1 116 116 GLU HB3 H 1 1.840 0.020 . 2 . . . . . 116 GLU HB3 . 50448 1 1277 . 1 . 1 116 116 GLU HG2 H 1 2.253 0.020 . 1 . . . . . 116 GLU HG2 . 50448 1 1278 . 1 . 1 116 116 GLU HG3 H 1 2.253 0.020 . 1 . . . . . 116 GLU HG3 . 50448 1 1279 . 1 . 1 116 116 GLU C C 13 179.981 0.3 . 1 . . . . . 116 GLU C . 50448 1 1280 . 1 . 1 116 116 GLU CA C 13 59.842 0.3 . 1 . . . . . 116 GLU CA . 50448 1 1281 . 1 . 1 116 116 GLU CB C 13 29.162 0.3 . 1 . . . . . 116 GLU CB . 50448 1 1282 . 1 . 1 116 116 GLU CG C 13 36.517 0.3 . 1 . . . . . 116 GLU CG . 50448 1 1283 . 1 . 1 116 116 GLU N N 15 118.384 0.3 . 1 . . . . . 116 GLU N . 50448 1 1284 . 1 . 1 117 117 GLU H H 1 7.932 0.020 . 1 . . . . . 117 GLU H . 50448 1 1285 . 1 . 1 117 117 GLU HA H 1 3.748 0.020 . 1 . . . . . 117 GLU HA . 50448 1 1286 . 1 . 1 117 117 GLU HB2 H 1 2.381 0.020 . 2 . . . . . 117 GLU HB2 . 50448 1 1287 . 1 . 1 117 117 GLU HB3 H 1 1.654 0.020 . 2 . . . . . 117 GLU HB3 . 50448 1 1288 . 1 . 1 117 117 GLU HG2 H 1 2.223 0.020 . 2 . . . . . 117 GLU HG2 . 50448 1 1289 . 1 . 1 117 117 GLU HG3 H 1 2.331 0.020 . 2 . . . . . 117 GLU HG3 . 50448 1 1290 . 1 . 1 117 117 GLU C C 13 178.714 0.3 . 1 . . . . . 117 GLU C . 50448 1 1291 . 1 . 1 117 117 GLU CA C 13 59.431 0.3 . 1 . . . . . 117 GLU CA . 50448 1 1292 . 1 . 1 117 117 GLU CB C 13 29.879 0.3 . 1 . . . . . 117 GLU CB . 50448 1 1293 . 1 . 1 117 117 GLU CG C 13 37.741 0.3 . 1 . . . . . 117 GLU CG . 50448 1 1294 . 1 . 1 117 117 GLU N N 15 120.241 0.3 . 1 . . . . . 117 GLU N . 50448 1 1295 . 1 . 1 118 118 ALA H H 1 7.973 0.020 . 1 . . . . . 118 ALA H . 50448 1 1296 . 1 . 1 118 118 ALA HA H 1 3.543 0.020 . 1 . . . . . 118 ALA HA . 50448 1 1297 . 1 . 1 118 118 ALA HB1 H 1 1.246 0.020 . 1 . . . . . 118 ALA HB . 50448 1 1298 . 1 . 1 118 118 ALA HB2 H 1 1.246 0.020 . 1 . . . . . 118 ALA HB . 50448 1 1299 . 1 . 1 118 118 ALA HB3 H 1 1.246 0.020 . 1 . . . . . 118 ALA HB . 50448 1 1300 . 1 . 1 118 118 ALA C C 13 179.040 0.3 . 1 . . . . . 118 ALA C . 50448 1 1301 . 1 . 1 118 118 ALA CA C 13 55.006 0.3 . 1 . . . . . 118 ALA CA . 50448 1 1302 . 1 . 1 118 118 ALA CB C 13 19.779 0.3 . 1 . . . . . 118 ALA CB . 50448 1 1303 . 1 . 1 118 118 ALA N N 15 121.340 0.3 . 1 . . . . . 118 ALA N . 50448 1 1304 . 1 . 1 119 119 LYS H H 1 8.720 0.020 . 1 . . . . . 119 LYS H . 50448 1 1305 . 1 . 1 119 119 LYS HA H 1 3.559 0.020 . 1 . . . . . 119 LYS HA . 50448 1 1306 . 1 . 1 119 119 LYS HB2 H 1 1.637 0.020 . 1 . . . . . 119 LYS HB2 . 50448 1 1307 . 1 . 1 119 119 LYS HB3 H 1 1.637 0.020 . 1 . . . . . 119 LYS HB3 . 50448 1 1308 . 1 . 1 119 119 LYS HG2 H 1 1.257 0.020 . 1 . . . . . 119 LYS HG2 . 50448 1 1309 . 1 . 1 119 119 LYS HG3 H 1 1.257 0.020 . 1 . . . . . 119 LYS HG3 . 50448 1 1310 . 1 . 1 119 119 LYS HD2 H 1 1.430 0.020 . 1 . . . . . 119 LYS HD2 . 50448 1 1311 . 1 . 1 119 119 LYS HD3 H 1 1.430 0.020 . 1 . . . . . 119 LYS HD3 . 50448 1 1312 . 1 . 1 119 119 LYS HE2 H 1 2.575 0.020 . 1 . . . . . 119 LYS HE2 . 50448 1 1313 . 1 . 1 119 119 LYS HE3 H 1 2.575 0.020 . 1 . . . . . 119 LYS HE3 . 50448 1 1314 . 1 . 1 119 119 LYS C C 13 178.372 0.3 . 1 . . . . . 119 LYS C . 50448 1 1315 . 1 . 1 119 119 LYS CA C 13 60.909 0.3 . 1 . . . . . 119 LYS CA . 50448 1 1316 . 1 . 1 119 119 LYS CB C 13 32.966 0.3 . 1 . . . . . 119 LYS CB . 50448 1 1317 . 1 . 1 119 119 LYS CG C 13 26.503 0.3 . 1 . . . . . 119 LYS CG . 50448 1 1318 . 1 . 1 119 119 LYS CD C 13 30.031 0.3 . 1 . . . . . 119 LYS CD . 50448 1 1319 . 1 . 1 119 119 LYS CE C 13 41.791 0.3 . 1 . . . . . 119 LYS CE . 50448 1 1320 . 1 . 1 119 119 LYS N N 15 118.274 0.3 . 1 . . . . . 119 LYS N . 50448 1 1321 . 1 . 1 120 120 THR H H 1 7.805 0.020 . 1 . . . . . 120 THR H . 50448 1 1322 . 1 . 1 120 120 THR HA H 1 3.642 0.020 . 1 . . . . . 120 THR HA . 50448 1 1323 . 1 . 1 120 120 THR HB H 1 4.223 0.020 . 1 . . . . . 120 THR HB . 50448 1 1324 . 1 . 1 120 120 THR HG21 H 1 1.079 0.020 . 1 . . . . . 120 THR HG2 . 50448 1 1325 . 1 . 1 120 120 THR HG22 H 1 1.079 0.020 . 1 . . . . . 120 THR HG2 . 50448 1 1326 . 1 . 1 120 120 THR HG23 H 1 1.079 0.020 . 1 . . . . . 120 THR HG2 . 50448 1 1327 . 1 . 1 120 120 THR C C 13 176.442 0.3 . 1 . . . . . 120 THR C . 50448 1 1328 . 1 . 1 120 120 THR CA C 13 66.877 0.3 . 1 . . . . . 120 THR CA . 50448 1 1329 . 1 . 1 120 120 THR CB C 13 68.731 0.3 . 1 . . . . . 120 THR CB . 50448 1 1330 . 1 . 1 120 120 THR CG2 C 13 21.584 0.3 . 1 . . . . . 120 THR CG2 . 50448 1 1331 . 1 . 1 120 120 THR N N 15 114.324 0.3 . 1 . . . . . 120 THR N . 50448 1 1332 . 1 . 1 121 121 VAL H H 1 7.494 0.020 . 1 . . . . . 121 VAL H . 50448 1 1333 . 1 . 1 121 121 VAL HA H 1 3.507 0.020 . 1 . . . . . 121 VAL HA . 50448 1 1334 . 1 . 1 121 121 VAL HB H 1 1.932 0.020 . 1 . . . . . 121 VAL HB . 50448 1 1335 . 1 . 1 121 121 VAL HG11 H 1 0.620 0.020 . 1 . . . . . 121 VAL HG1 . 50448 1 1336 . 1 . 1 121 121 VAL HG12 H 1 0.620 0.020 . 1 . . . . . 121 VAL HG1 . 50448 1 1337 . 1 . 1 121 121 VAL HG13 H 1 0.620 0.020 . 1 . . . . . 121 VAL HG1 . 50448 1 1338 . 1 . 1 121 121 VAL HG21 H 1 0.765 0.020 . 1 . . . . . 121 VAL HG2 . 50448 1 1339 . 1 . 1 121 121 VAL HG22 H 1 0.765 0.020 . 1 . . . . . 121 VAL HG2 . 50448 1 1340 . 1 . 1 121 121 VAL HG23 H 1 0.765 0.020 . 1 . . . . . 121 VAL HG2 . 50448 1 1341 . 1 . 1 121 121 VAL C C 13 178.451 0.3 . 1 . . . . . 121 VAL C . 50448 1 1342 . 1 . 1 121 121 VAL CA C 13 66.373 0.3 . 1 . . . . . 121 VAL CA . 50448 1 1343 . 1 . 1 121 121 VAL CB C 13 30.966 0.3 . 1 . . . . . 121 VAL CB . 50448 1 1344 . 1 . 1 121 121 VAL CG1 C 13 22.174 0.3 . 1 . . . . . 121 VAL CG1 . 50448 1 1345 . 1 . 1 121 121 VAL CG2 C 13 21.918 0.3 . 1 . . . . . 121 VAL CG2 . 50448 1 1346 . 1 . 1 121 121 VAL N N 15 117.679 0.3 . 1 . . . . . 121 VAL N . 50448 1 1347 . 1 . 1 122 122 LEU H H 1 8.023 0.020 . 1 . . . . . 122 LEU H . 50448 1 1348 . 1 . 1 122 122 LEU HA H 1 3.779 0.020 . 1 . . . . . 122 LEU HA . 50448 1 1349 . 1 . 1 122 122 LEU HB2 H 1 1.633 0.020 . 2 . . . . . 122 LEU HB2 . 50448 1 1350 . 1 . 1 122 122 LEU HB3 H 1 1.030 0.020 . 2 . . . . . 122 LEU HB3 . 50448 1 1351 . 1 . 1 122 122 LEU HG H 1 0.368 0.020 . 1 . . . . . 122 LEU HG . 50448 1 1352 . 1 . 1 122 122 LEU HD11 H 1 0.367 0.020 . 2 . . . . . 122 LEU HD1 . 50448 1 1353 . 1 . 1 122 122 LEU HD12 H 1 0.367 0.020 . 2 . . . . . 122 LEU HD1 . 50448 1 1354 . 1 . 1 122 122 LEU HD13 H 1 0.367 0.020 . 2 . . . . . 122 LEU HD1 . 50448 1 1355 . 1 . 1 122 122 LEU HD21 H 1 -0.325 0.020 . 1 . . . . . 122 LEU HD2 . 50448 1 1356 . 1 . 1 122 122 LEU HD22 H 1 -0.325 0.020 . 1 . . . . . 122 LEU HD2 . 50448 1 1357 . 1 . 1 122 122 LEU HD23 H 1 -0.325 0.020 . 1 . . . . . 122 LEU HD2 . 50448 1 1358 . 1 . 1 122 122 LEU C C 13 179.874 0.3 . 1 . . . . . 122 LEU C . 50448 1 1359 . 1 . 1 122 122 LEU CA C 13 58.101 0.3 . 1 . . . . . 122 LEU CA . 50448 1 1360 . 1 . 1 122 122 LEU CB C 13 41.105 0.3 . 1 . . . . . 122 LEU CB . 50448 1 1361 . 1 . 1 122 122 LEU CG C 13 27.076 0.3 . 1 . . . . . 122 LEU CG . 50448 1 1362 . 1 . 1 122 122 LEU CD1 C 13 25.536 0.3 . 1 . . . . . 122 LEU CD1 . 50448 1 1363 . 1 . 1 122 122 LEU CD2 C 13 20.232 0.3 . 1 . . . . . 122 LEU CD2 . 50448 1 1364 . 1 . 1 122 122 LEU N N 15 119.319 0.3 . 1 . . . . . 122 LEU N . 50448 1 1365 . 1 . 1 123 123 LYS H H 1 8.024 0.020 . 1 . . . . . 123 LYS H . 50448 1 1366 . 1 . 1 123 123 LYS HA H 1 4.028 0.020 . 1 . . . . . 123 LYS HA . 50448 1 1367 . 1 . 1 123 123 LYS HB2 H 1 1.841 0.020 . 1 . . . . . 123 LYS HB2 . 50448 1 1368 . 1 . 1 123 123 LYS HB3 H 1 1.841 0.020 . 1 . . . . . 123 LYS HB3 . 50448 1 1369 . 1 . 1 123 123 LYS HG2 H 1 1.349 0.020 . 1 . . . . . 123 LYS HG2 . 50448 1 1370 . 1 . 1 123 123 LYS HG3 H 1 1.349 0.020 . 1 . . . . . 123 LYS HG3 . 50448 1 1371 . 1 . 1 123 123 LYS HD2 H 1 1.442 0.020 . 1 . . . . . 123 LYS HD2 . 50448 1 1372 . 1 . 1 123 123 LYS HD3 H 1 1.442 0.020 . 1 . . . . . 123 LYS HD3 . 50448 1 1373 . 1 . 1 123 123 LYS HE2 H 1 2.882 0.020 . 1 . . . . . 123 LYS HE2 . 50448 1 1374 . 1 . 1 123 123 LYS HE3 H 1 2.882 0.020 . 1 . . . . . 123 LYS HE3 . 50448 1 1375 . 1 . 1 123 123 LYS C C 13 177.831 0.3 . 1 . . . . . 123 LYS C . 50448 1 1376 . 1 . 1 123 123 LYS CA C 13 58.463 0.3 . 1 . . . . . 123 LYS CA . 50448 1 1377 . 1 . 1 123 123 LYS CB C 13 32.415 0.3 . 1 . . . . . 123 LYS CB . 50448 1 1378 . 1 . 1 123 123 LYS CG C 13 24.751 0.3 . 1 . . . . . 123 LYS CG . 50448 1 1379 . 1 . 1 123 123 LYS CD C 13 26.353 0.3 . 1 . . . . . 123 LYS CD . 50448 1 1380 . 1 . 1 123 123 LYS CE C 13 42.195 0.3 . 1 . . . . . 123 LYS CE . 50448 1 1381 . 1 . 1 123 123 LYS N N 15 116.812 0.3 . 1 . . . . . 123 LYS N . 50448 1 1382 . 1 . 1 124 124 LYS H H 1 7.291 0.020 . 1 . . . . . 124 LYS H . 50448 1 1383 . 1 . 1 124 124 LYS HA H 1 4.105 0.020 . 1 . . . . . 124 LYS HA . 50448 1 1384 . 1 . 1 124 124 LYS HB2 H 1 1.646 0.020 . 1 . . . . . 124 LYS HB2 . 50448 1 1385 . 1 . 1 124 124 LYS HB3 H 1 1.646 0.020 . 1 . . . . . 124 LYS HB3 . 50448 1 1386 . 1 . 1 124 124 LYS HG2 H 1 1.306 0.020 . 1 . . . . . 124 LYS HG2 . 50448 1 1387 . 1 . 1 124 124 LYS HG3 H 1 1.306 0.020 . 1 . . . . . 124 LYS HG3 . 50448 1 1388 . 1 . 1 124 124 LYS HD2 H 1 1.557 0.020 . 1 . . . . . 124 LYS HD2 . 50448 1 1389 . 1 . 1 124 124 LYS HD3 H 1 1.557 0.020 . 1 . . . . . 124 LYS HD3 . 50448 1 1390 . 1 . 1 124 124 LYS HE2 H 1 2.882 0.020 . 1 . . . . . 124 LYS HE2 . 50448 1 1391 . 1 . 1 124 124 LYS HE3 H 1 2.882 0.020 . 1 . . . . . 124 LYS HE3 . 50448 1 1392 . 1 . 1 124 124 LYS C C 13 177.244 0.3 . 1 . . . . . 124 LYS C . 50448 1 1393 . 1 . 1 124 124 LYS CA C 13 56.563 0.3 . 1 . . . . . 124 LYS CA . 50448 1 1394 . 1 . 1 124 124 LYS CB C 13 32.636 0.3 . 1 . . . . . 124 LYS CB . 50448 1 1395 . 1 . 1 124 124 LYS CG C 13 24.965 0.3 . 1 . . . . . 124 LYS CG . 50448 1 1396 . 1 . 1 124 124 LYS CD C 13 29.088 0.3 . 1 . . . . . 124 LYS CD . 50448 1 1397 . 1 . 1 124 124 LYS CE C 13 42.200 0.3 . 1 . . . . . 124 LYS CE . 50448 1 1398 . 1 . 1 124 124 LYS N N 15 116.707 0.3 . 1 . . . . . 124 LYS N . 50448 1 1399 . 1 . 1 125 125 CYS H H 1 7.614 0.020 . 1 . . . . . 125 CYS H . 50448 1 1400 . 1 . 1 125 125 CYS HA H 1 4.619 0.020 . 1 . . . . . 125 CYS HA . 50448 1 1401 . 1 . 1 125 125 CYS HB2 H 1 3.537 0.020 . 2 . . . . . 125 CYS HB2 . 50448 1 1402 . 1 . 1 125 125 CYS HB3 H 1 3.135 0.020 . 2 . . . . . 125 CYS HB3 . 50448 1 1403 . 1 . 1 125 125 CYS C C 13 174.168 0.3 . 1 . . . . . 125 CYS C . 50448 1 1404 . 1 . 1 125 125 CYS CA C 13 59.191 0.3 . 1 . . . . . 125 CYS CA . 50448 1 1405 . 1 . 1 125 125 CYS CB C 13 29.050 0.3 . 1 . . . . . 125 CYS CB . 50448 1 1406 . 1 . 1 125 125 CYS N N 15 117.266 0.3 . 1 . . . . . 125 CYS N . 50448 1 1407 . 1 . 1 126 126 LYS H H 1 8.558 0.020 . 1 . . . . . 126 LYS H . 50448 1 1408 . 1 . 1 126 126 LYS HA H 1 4.111 0.020 . 1 . . . . . 126 LYS HA . 50448 1 1409 . 1 . 1 126 126 LYS HB2 H 1 1.741 0.020 . 2 . . . . . 126 LYS HB2 . 50448 1 1410 . 1 . 1 126 126 LYS HB3 H 1 1.650 0.020 . 2 . . . . . 126 LYS HB3 . 50448 1 1411 . 1 . 1 126 126 LYS HG2 H 1 1.248 0.020 . 2 . . . . . 126 LYS HG2 . 50448 1 1412 . 1 . 1 126 126 LYS HG3 H 1 1.300 0.020 . 2 . . . . . 126 LYS HG3 . 50448 1 1413 . 1 . 1 126 126 LYS HD2 H 1 1.563 0.020 . 1 . . . . . 126 LYS HD2 . 50448 1 1414 . 1 . 1 126 126 LYS HD3 H 1 1.563 0.020 . 1 . . . . . 126 LYS HD3 . 50448 1 1415 . 1 . 1 126 126 LYS HE2 H 1 2.791 0.020 . 1 . . . . . 126 LYS HE2 . 50448 1 1416 . 1 . 1 126 126 LYS HE3 H 1 2.791 0.020 . 1 . . . . . 126 LYS HE3 . 50448 1 1417 . 1 . 1 126 126 LYS C C 13 175.521 0.3 . 1 . . . . . 126 LYS C . 50448 1 1418 . 1 . 1 126 126 LYS CA C 13 56.365 0.3 . 1 . . . . . 126 LYS CA . 50448 1 1419 . 1 . 1 126 126 LYS CB C 13 32.747 0.3 . 1 . . . . . 126 LYS CB . 50448 1 1420 . 1 . 1 126 126 LYS CG C 13 24.871 0.3 . 1 . . . . . 126 LYS CG . 50448 1 1421 . 1 . 1 126 126 LYS CD C 13 29.131 0.3 . 1 . . . . . 126 LYS CD . 50448 1 1422 . 1 . 1 126 126 LYS CE C 13 42.208 0.3 . 1 . . . . . 126 LYS CE . 50448 1 1423 . 1 . 1 126 126 LYS N N 15 118.241 0.3 . 1 . . . . . 126 LYS N . 50448 1 1424 . 1 . 1 127 127 SER H H 1 6.499 0.020 . 1 . . . . . 127 SER H . 50448 1 1425 . 1 . 1 127 127 SER HA H 1 4.192 0.020 . 1 . . . . . 127 SER HA . 50448 1 1426 . 1 . 1 127 127 SER HB2 H 1 3.407 0.020 . 2 . . . . . 127 SER HB2 . 50448 1 1427 . 1 . 1 127 127 SER HB3 H 1 2.857 0.020 . 2 . . . . . 127 SER HB3 . 50448 1 1428 . 1 . 1 127 127 SER C C 13 170.797 0.3 . 1 . . . . . 127 SER C . 50448 1 1429 . 1 . 1 127 127 SER CA C 13 60.316 0.3 . 1 . . . . . 127 SER CA . 50448 1 1430 . 1 . 1 127 127 SER CB C 13 65.950 0.3 . 1 . . . . . 127 SER CB . 50448 1 1431 . 1 . 1 127 127 SER N N 15 114.130 0.3 . 1 . . . . . 127 SER N . 50448 1 1432 . 1 . 1 128 128 ALA H H 1 7.663 0.020 . 1 . . . . . 128 ALA H . 50448 1 1433 . 1 . 1 128 128 ALA HA H 1 4.691 0.020 . 1 . . . . . 128 ALA HA . 50448 1 1434 . 1 . 1 128 128 ALA HB1 H 1 1.264 0.020 . 1 . . . . . 128 ALA HB . 50448 1 1435 . 1 . 1 128 128 ALA HB2 H 1 1.264 0.020 . 1 . . . . . 128 ALA HB . 50448 1 1436 . 1 . 1 128 128 ALA HB3 H 1 1.264 0.020 . 1 . . . . . 128 ALA HB . 50448 1 1437 . 1 . 1 128 128 ALA C C 13 174.377 0.3 . 1 . . . . . 128 ALA C . 50448 1 1438 . 1 . 1 128 128 ALA CA C 13 51.210 0.3 . 1 . . . . . 128 ALA CA . 50448 1 1439 . 1 . 1 128 128 ALA CB C 13 20.160 0.3 . 1 . . . . . 128 ALA CB . 50448 1 1440 . 1 . 1 128 128 ALA N N 15 124.641 0.3 . 1 . . . . . 128 ALA N . 50448 1 1441 . 1 . 1 129 129 PHE H H 1 8.245 0.020 . 1 . . . . . 129 PHE H . 50448 1 1442 . 1 . 1 129 129 PHE HA H 1 5.082 0.020 . 1 . . . . . 129 PHE HA . 50448 1 1443 . 1 . 1 129 129 PHE HB2 H 1 2.799 0.020 . 2 . . . . . 129 PHE HB2 . 50448 1 1444 . 1 . 1 129 129 PHE HB3 H 1 2.489 0.020 . 2 . . . . . 129 PHE HB3 . 50448 1 1445 . 1 . 1 129 129 PHE C C 13 173.369 0.3 . 1 . . . . . 129 PHE C . 50448 1 1446 . 1 . 1 129 129 PHE CA C 13 56.111 0.3 . 1 . . . . . 129 PHE CA . 50448 1 1447 . 1 . 1 129 129 PHE CB C 13 41.520 0.3 . 1 . . . . . 129 PHE CB . 50448 1 1448 . 1 . 1 129 129 PHE N N 15 119.660 0.3 . 1 . . . . . 129 PHE N . 50448 1 1449 . 1 . 1 130 130 TYR H H 1 9.021 0.020 . 1 . . . . . 130 TYR H . 50448 1 1450 . 1 . 1 130 130 TYR HA H 1 5.042 0.020 . 1 . . . . . 130 TYR HA . 50448 1 1451 . 1 . 1 130 130 TYR HB2 H 1 2.607 0.020 . 2 . . . . . 130 TYR HB2 . 50448 1 1452 . 1 . 1 130 130 TYR HB3 H 1 2.668 0.020 . 2 . . . . . 130 TYR HB3 . 50448 1 1453 . 1 . 1 130 130 TYR C C 13 174.539 0.3 . 1 . . . . . 130 TYR C . 50448 1 1454 . 1 . 1 130 130 TYR CA C 13 56.621 0.3 . 1 . . . . . 130 TYR CA . 50448 1 1455 . 1 . 1 130 130 TYR CB C 13 38.140 0.3 . 1 . . . . . 130 TYR CB . 50448 1 1456 . 1 . 1 130 130 TYR N N 15 124.548 0.3 . 1 . . . . . 130 TYR N . 50448 1 1457 . 1 . 1 131 131 ILE H H 1 8.989 0.020 . 1 . . . . . 131 ILE H . 50448 1 1458 . 1 . 1 131 131 ILE HA H 1 4.092 0.020 . 1 . . . . . 131 ILE HA . 50448 1 1459 . 1 . 1 131 131 ILE HB H 1 1.470 0.020 . 1 . . . . . 131 ILE HB . 50448 1 1460 . 1 . 1 131 131 ILE HG12 H 1 0.574 0.020 . 2 . . . . . 131 ILE HG12 . 50448 1 1461 . 1 . 1 131 131 ILE HG13 H 1 0.857 0.020 . 2 . . . . . 131 ILE HG13 . 50448 1 1462 . 1 . 1 131 131 ILE HG21 H 1 -0.141 0.020 . 1 . . . . . 131 ILE HG2 . 50448 1 1463 . 1 . 1 131 131 ILE HG22 H 1 -0.141 0.020 . 1 . . . . . 131 ILE HG2 . 50448 1 1464 . 1 . 1 131 131 ILE HG23 H 1 -0.141 0.020 . 1 . . . . . 131 ILE HG2 . 50448 1 1465 . 1 . 1 131 131 ILE HD11 H 1 -0.097 0.020 . 1 . . . . . 131 ILE HD1 . 50448 1 1466 . 1 . 1 131 131 ILE HD12 H 1 -0.097 0.020 . 1 . . . . . 131 ILE HD1 . 50448 1 1467 . 1 . 1 131 131 ILE HD13 H 1 -0.097 0.020 . 1 . . . . . 131 ILE HD1 . 50448 1 1468 . 1 . 1 131 131 ILE C C 13 176.575 0.3 . 1 . . . . . 131 ILE C . 50448 1 1469 . 1 . 1 131 131 ILE CA C 13 58.306 0.3 . 1 . . . . . 131 ILE CA . 50448 1 1470 . 1 . 1 131 131 ILE CB C 13 37.831 0.3 . 1 . . . . . 131 ILE CB . 50448 1 1471 . 1 . 1 131 131 ILE CG1 C 13 25.713 0.3 . 1 . . . . . 131 ILE CG1 . 50448 1 1472 . 1 . 1 131 131 ILE CG2 C 13 16.611 0.3 . 1 . . . . . 131 ILE CG2 . 50448 1 1473 . 1 . 1 131 131 ILE CD1 C 13 11.110 0.3 . 1 . . . . . 131 ILE CD1 . 50448 1 1474 . 1 . 1 131 131 ILE N N 15 122.756 0.3 . 1 . . . . . 131 ILE N . 50448 1 1475 . 1 . 1 132 132 LEU H H 1 8.716 0.020 . 1 . . . . . 132 LEU H . 50448 1 1476 . 1 . 1 132 132 LEU HA H 1 4.670 0.020 . 1 . . . . . 132 LEU HA . 50448 1 1477 . 1 . 1 132 132 LEU HB2 H 1 1.664 0.020 . 2 . . . . . 132 LEU HB2 . 50448 1 1478 . 1 . 1 132 132 LEU HB3 H 1 1.469 0.020 . 2 . . . . . 132 LEU HB3 . 50448 1 1479 . 1 . 1 132 132 LEU HG H 1 1.621 0.020 . 1 . . . . . 132 LEU HG . 50448 1 1480 . 1 . 1 132 132 LEU HD11 H 1 0.795 0.020 . 2 . . . . . 132 LEU HD1 . 50448 1 1481 . 1 . 1 132 132 LEU HD12 H 1 0.795 0.020 . 2 . . . . . 132 LEU HD1 . 50448 1 1482 . 1 . 1 132 132 LEU HD13 H 1 0.795 0.020 . 2 . . . . . 132 LEU HD1 . 50448 1 1483 . 1 . 1 132 132 LEU HD21 H 1 0.755 0.020 . 1 . . . . . 132 LEU HD2 . 50448 1 1484 . 1 . 1 132 132 LEU HD22 H 1 0.755 0.020 . 1 . . . . . 132 LEU HD2 . 50448 1 1485 . 1 . 1 132 132 LEU HD23 H 1 0.755 0.020 . 1 . . . . . 132 LEU HD2 . 50448 1 1486 . 1 . 1 132 132 LEU C C 13 174.193 0.3 . 1 . . . . . 132 LEU C . 50448 1 1487 . 1 . 1 132 132 LEU CA C 13 52.475 0.3 . 1 . . . . . 132 LEU CA . 50448 1 1488 . 1 . 1 132 132 LEU CB C 13 41.416 0.3 . 1 . . . . . 132 LEU CB . 50448 1 1489 . 1 . 1 132 132 LEU CG C 13 27.006 0.3 . 1 . . . . . 132 LEU CG . 50448 1 1490 . 1 . 1 132 132 LEU CD1 C 13 24.971 0.3 . 1 . . . . . 132 LEU CD1 . 50448 1 1491 . 1 . 1 132 132 LEU CD2 C 13 23.677 0.3 . 1 . . . . . 132 LEU CD2 . 50448 1 1492 . 1 . 1 132 132 LEU N N 15 131.430 0.3 . 1 . . . . . 132 LEU N . 50448 1 1493 . 1 . 1 133 133 PRO HA H 1 4.342 0.020 . 1 . . . . . 133 PRO HA . 50448 1 1494 . 1 . 1 133 133 PRO HB2 H 1 2.262 0.020 . 2 . . . . . 133 PRO HB2 . 50448 1 1495 . 1 . 1 133 133 PRO HB3 H 1 1.791 0.020 . 2 . . . . . 133 PRO HB3 . 50448 1 1496 . 1 . 1 133 133 PRO HG2 H 1 1.915 0.020 . 1 . . . . . 133 PRO HG2 . 50448 1 1497 . 1 . 1 133 133 PRO HG3 H 1 1.915 0.020 . 1 . . . . . 133 PRO HG3 . 50448 1 1498 . 1 . 1 133 133 PRO HD2 H 1 3.479 0.020 . 2 . . . . . 133 PRO HD2 . 50448 1 1499 . 1 . 1 133 133 PRO HD3 H 1 3.856 0.020 . 2 . . . . . 133 PRO HD3 . 50448 1 1500 . 1 . 1 133 133 PRO C C 13 177.043 0.3 . 1 . . . . . 133 PRO C . 50448 1 1501 . 1 . 1 133 133 PRO CA C 13 63.056 0.3 . 1 . . . . . 133 PRO CA . 50448 1 1502 . 1 . 1 133 133 PRO CB C 13 32.565 0.3 . 1 . . . . . 133 PRO CB . 50448 1 1503 . 1 . 1 133 133 PRO CG C 13 27.659 0.3 . 1 . . . . . 133 PRO CG . 50448 1 1504 . 1 . 1 133 133 PRO CD C 13 50.974 0.3 . 1 . . . . . 133 PRO CD . 50448 1 1505 . 1 . 1 134 134 SER H H 1 8.232 0.020 . 1 . . . . . 134 SER H . 50448 1 1506 . 1 . 1 134 134 SER HA H 1 4.292 0.020 . 1 . . . . . 134 SER HA . 50448 1 1507 . 1 . 1 134 134 SER HB2 H 1 4.041 0.020 . 2 . . . . . 134 SER HB2 . 50448 1 1508 . 1 . 1 134 134 SER HB3 H 1 3.672 0.020 . 2 . . . . . 134 SER HB3 . 50448 1 1509 . 1 . 1 134 134 SER C C 13 174.569 0.3 . 1 . . . . . 134 SER C . 50448 1 1510 . 1 . 1 134 134 SER CA C 13 59.326 0.3 . 1 . . . . . 134 SER CA . 50448 1 1511 . 1 . 1 134 134 SER CB C 13 64.915 0.3 . 1 . . . . . 134 SER CB . 50448 1 1512 . 1 . 1 134 134 SER N N 15 116.476 0.3 . 1 . . . . . 134 SER N . 50448 1 1513 . 1 . 1 135 135 ILE H H 1 8.617 0.020 . 1 . . . . . 135 ILE H . 50448 1 1514 . 1 . 1 135 135 ILE HA H 1 4.008 0.020 . 1 . . . . . 135 ILE HA . 50448 1 1515 . 1 . 1 135 135 ILE HB H 1 1.808 0.020 . 1 . . . . . 135 ILE HB . 50448 1 1516 . 1 . 1 135 135 ILE HG12 H 1 1.215 0.020 . 2 . . . . . 135 ILE HG12 . 50448 1 1517 . 1 . 1 135 135 ILE HG13 H 1 1.479 0.020 . 2 . . . . . 135 ILE HG13 . 50448 1 1518 . 1 . 1 135 135 ILE HG21 H 1 0.860 0.020 . 1 . . . . . 135 ILE HG2 . 50448 1 1519 . 1 . 1 135 135 ILE HG22 H 1 0.860 0.020 . 1 . . . . . 135 ILE HG2 . 50448 1 1520 . 1 . 1 135 135 ILE HG23 H 1 0.860 0.020 . 1 . . . . . 135 ILE HG2 . 50448 1 1521 . 1 . 1 135 135 ILE HD11 H 1 0.774 0.020 . 1 . . . . . 135 ILE HD1 . 50448 1 1522 . 1 . 1 135 135 ILE HD12 H 1 0.774 0.020 . 1 . . . . . 135 ILE HD1 . 50448 1 1523 . 1 . 1 135 135 ILE HD13 H 1 0.774 0.020 . 1 . . . . . 135 ILE HD1 . 50448 1 1524 . 1 . 1 135 135 ILE C C 13 176.463 0.3 . 1 . . . . . 135 ILE C . 50448 1 1525 . 1 . 1 135 135 ILE CA C 13 62.081 0.3 . 1 . . . . . 135 ILE CA . 50448 1 1526 . 1 . 1 135 135 ILE CB C 13 38.668 0.3 . 1 . . . . . 135 ILE CB . 50448 1 1527 . 1 . 1 135 135 ILE CG1 C 13 27.513 0.3 . 1 . . . . . 135 ILE CG1 . 50448 1 1528 . 1 . 1 135 135 ILE CG2 C 13 17.977 0.3 . 1 . . . . . 135 ILE CG2 . 50448 1 1529 . 1 . 1 135 135 ILE CD1 C 13 13.487 0.3 . 1 . . . . . 135 ILE CD1 . 50448 1 1530 . 1 . 1 135 135 ILE N N 15 122.939 0.3 . 1 . . . . . 135 ILE N . 50448 1 1531 . 1 . 1 136 136 ILE H H 1 8.254 0.020 . 1 . . . . . 136 ILE H . 50448 1 1532 . 1 . 1 136 136 ILE HA H 1 4.146 0.020 . 1 . . . . . 136 ILE HA . 50448 1 1533 . 1 . 1 136 136 ILE HB H 1 1.760 0.020 . 1 . . . . . 136 ILE HB . 50448 1 1534 . 1 . 1 136 136 ILE HG12 H 1 1.422 0.020 . 2 . . . . . 136 ILE HG12 . 50448 1 1535 . 1 . 1 136 136 ILE HG13 H 1 1.138 0.020 . 2 . . . . . 136 ILE HG13 . 50448 1 1536 . 1 . 1 136 136 ILE HG21 H 1 0.825 0.020 . 1 . . . . . 136 ILE HG2 . 50448 1 1537 . 1 . 1 136 136 ILE HG22 H 1 0.825 0.020 . 1 . . . . . 136 ILE HG2 . 50448 1 1538 . 1 . 1 136 136 ILE HG23 H 1 0.825 0.020 . 1 . . . . . 136 ILE HG2 . 50448 1 1539 . 1 . 1 136 136 ILE HD11 H 1 0.788 0.020 . 1 . . . . . 136 ILE HD1 . 50448 1 1540 . 1 . 1 136 136 ILE HD12 H 1 0.788 0.020 . 1 . . . . . 136 ILE HD1 . 50448 1 1541 . 1 . 1 136 136 ILE HD13 H 1 0.788 0.020 . 1 . . . . . 136 ILE HD1 . 50448 1 1542 . 1 . 1 136 136 ILE C C 13 176.045 0.3 . 1 . . . . . 136 ILE C . 50448 1 1543 . 1 . 1 136 136 ILE CA C 13 60.762 0.3 . 1 . . . . . 136 ILE CA . 50448 1 1544 . 1 . 1 136 136 ILE CB C 13 38.887 0.3 . 1 . . . . . 136 ILE CB . 50448 1 1545 . 1 . 1 136 136 ILE CG1 C 13 27.429 0.3 . 1 . . . . . 136 ILE CG1 . 50448 1 1546 . 1 . 1 136 136 ILE CG2 C 13 17.664 0.3 . 1 . . . . . 136 ILE CG2 . 50448 1 1547 . 1 . 1 136 136 ILE CD1 C 13 12.800 0.3 . 1 . . . . . 136 ILE CD1 . 50448 1 1548 . 1 . 1 136 136 ILE N N 15 123.953 0.3 . 1 . . . . . 136 ILE N . 50448 1 1549 . 1 . 1 137 137 SER H H 1 8.507 0.020 . 1 . . . . . 137 SER H . 50448 1 1550 . 1 . 1 137 137 SER HA H 1 4.483 0.020 . 1 . . . . . 137 SER HA . 50448 1 1551 . 1 . 1 137 137 SER HB2 H 1 3.770 0.020 . 2 . . . . . 137 SER HB2 . 50448 1 1552 . 1 . 1 137 137 SER HB3 H 1 3.714 0.020 . 2 . . . . . 137 SER HB3 . 50448 1 1553 . 1 . 1 137 137 SER C C 13 174.222 0.3 . 1 . . . . . 137 SER C . 50448 1 1554 . 1 . 1 137 137 SER CA C 13 57.823 0.3 . 1 . . . . . 137 SER CA . 50448 1 1555 . 1 . 1 137 137 SER CB C 13 64.048 0.3 . 1 . . . . . 137 SER CB . 50448 1 1556 . 1 . 1 137 137 SER N N 15 121.204 0.3 . 1 . . . . . 137 SER N . 50448 1 1557 . 1 . 1 138 138 ASN H H 1 8.647 0.020 . 1 . . . . . 138 ASN H . 50448 1 1558 . 1 . 1 138 138 ASN HA H 1 4.697 0.020 . 1 . . . . . 138 ASN HA . 50448 1 1559 . 1 . 1 138 138 ASN HB2 H 1 2.694 0.020 . 2 . . . . . 138 ASN HB2 . 50448 1 1560 . 1 . 1 138 138 ASN HB3 H 1 2.779 0.020 . 2 . . . . . 138 ASN HB3 . 50448 1 1561 . 1 . 1 138 138 ASN C C 13 174.996 0.3 . 1 . . . . . 138 ASN C . 50448 1 1562 . 1 . 1 138 138 ASN CA C 13 53.059 0.3 . 1 . . . . . 138 ASN CA . 50448 1 1563 . 1 . 1 138 138 ASN CB C 13 38.778 0.3 . 1 . . . . . 138 ASN CB . 50448 1 1564 . 1 . 1 138 138 ASN N N 15 122.217 0.3 . 1 . . . . . 138 ASN N . 50448 1 1565 . 1 . 1 139 139 GLU H H 1 8.394 0.020 . 1 . . . . . 139 GLU H . 50448 1 1566 . 1 . 1 139 139 GLU HA H 1 4.179 0.020 . 1 . . . . . 139 GLU HA . 50448 1 1567 . 1 . 1 139 139 GLU HB2 H 1 1.942 0.020 . 2 . . . . . 139 GLU HB2 . 50448 1 1568 . 1 . 1 139 139 GLU HB3 H 1 1.816 0.020 . 2 . . . . . 139 GLU HB3 . 50448 1 1569 . 1 . 1 139 139 GLU HG2 H 1 2.160 0.020 . 2 . . . . . 139 GLU HG2 . 50448 1 1570 . 1 . 1 139 139 GLU HG3 H 1 2.113 0.020 . 2 . . . . . 139 GLU HG3 . 50448 1 1571 . 1 . 1 139 139 GLU C C 13 176.197 0.3 . 1 . . . . . 139 GLU C . 50448 1 1572 . 1 . 1 139 139 GLU CA C 13 56.547 0.3 . 1 . . . . . 139 GLU CA . 50448 1 1573 . 1 . 1 139 139 GLU CB C 13 30.322 0.3 . 1 . . . . . 139 GLU CB . 50448 1 1574 . 1 . 1 139 139 GLU CG C 13 36.077 0.3 . 1 . . . . . 139 GLU CG . 50448 1 1575 . 1 . 1 139 139 GLU N N 15 121.446 0.3 . 1 . . . . . 139 GLU N . 50448 1 1576 . 1 . 1 140 140 LYS H H 1 8.347 0.020 . 1 . . . . . 140 LYS H . 50448 1 1577 . 1 . 1 140 140 LYS HA H 1 4.214 0.020 . 1 . . . . . 140 LYS HA . 50448 1 1578 . 1 . 1 140 140 LYS HB2 H 1 1.653 0.020 . 2 . . . . . 140 LYS HB2 . 50448 1 1579 . 1 . 1 140 140 LYS HB3 H 1 1.732 0.020 . 2 . . . . . 140 LYS HB3 . 50448 1 1580 . 1 . 1 140 140 LYS HG2 H 1 1.301 0.020 . 1 . . . . . 140 LYS HG2 . 50448 1 1581 . 1 . 1 140 140 LYS HG3 H 1 1.301 0.020 . 1 . . . . . 140 LYS HG3 . 50448 1 1582 . 1 . 1 140 140 LYS HD2 H 1 1.561 0.020 . 1 . . . . . 140 LYS HD2 . 50448 1 1583 . 1 . 1 140 140 LYS HD3 H 1 1.561 0.020 . 1 . . . . . 140 LYS HD3 . 50448 1 1584 . 1 . 1 140 140 LYS HE2 H 1 2.881 0.020 . 1 . . . . . 140 LYS HE2 . 50448 1 1585 . 1 . 1 140 140 LYS HE3 H 1 2.881 0.020 . 1 . . . . . 140 LYS HE3 . 50448 1 1586 . 1 . 1 140 140 LYS C C 13 176.114 0.3 . 1 . . . . . 140 LYS C . 50448 1 1587 . 1 . 1 140 140 LYS CA C 13 56.326 0.3 . 1 . . . . . 140 LYS CA . 50448 1 1588 . 1 . 1 140 140 LYS CB C 13 33.111 0.3 . 1 . . . . . 140 LYS CB . 50448 1 1589 . 1 . 1 140 140 LYS CG C 13 24.561 0.3 . 1 . . . . . 140 LYS CG . 50448 1 1590 . 1 . 1 140 140 LYS CD C 13 28.916 0.3 . 1 . . . . . 140 LYS CD . 50448 1 1591 . 1 . 1 140 140 LYS CE C 13 41.981 0.3 . 1 . . . . . 140 LYS CE . 50448 1 1592 . 1 . 1 140 140 LYS N N 15 122.312 0.3 . 1 . . . . . 140 LYS N . 50448 1 1593 . 1 . 1 141 141 GLN H H 1 8.486 0.020 . 1 . . . . . 141 GLN H . 50448 1 1594 . 1 . 1 141 141 GLN HA H 1 4.249 0.020 . 1 . . . . . 141 GLN HA . 50448 1 1595 . 1 . 1 141 141 GLN HB2 H 1 2.027 0.020 . 2 . . . . . 141 GLN HB2 . 50448 1 1596 . 1 . 1 141 141 GLN HB3 H 1 1.870 0.020 . 2 . . . . . 141 GLN HB3 . 50448 1 1597 . 1 . 1 141 141 GLN C C 13 174.917 0.3 . 1 . . . . . 141 GLN C . 50448 1 1598 . 1 . 1 141 141 GLN CA C 13 55.783 0.3 . 1 . . . . . 141 GLN CA . 50448 1 1599 . 1 . 1 141 141 GLN CB C 13 29.550 0.3 . 1 . . . . . 141 GLN CB . 50448 1 1600 . 1 . 1 141 141 GLN N N 15 123.311 0.3 . 1 . . . . . 141 GLN N . 50448 1 1601 . 1 . 1 142 142 GLU H H 1 8.052 0.020 . 1 . . . . . 142 GLU H . 50448 1 1602 . 1 . 1 142 142 GLU HA H 1 4.025 0.020 . 1 . . . . . 142 GLU HA . 50448 1 1603 . 1 . 1 142 142 GLU HB2 H 1 1.937 0.020 . 2 . . . . . 142 GLU HB2 . 50448 1 1604 . 1 . 1 142 142 GLU HB3 H 1 1.777 0.020 . 2 . . . . . 142 GLU HB3 . 50448 1 1605 . 1 . 1 142 142 GLU HG2 H 1 2.069 0.020 . 1 . . . . . 142 GLU HG2 . 50448 1 1606 . 1 . 1 142 142 GLU HG3 H 1 2.069 0.020 . 1 . . . . . 142 GLU HG3 . 50448 1 1607 . 1 . 1 142 142 GLU C C 13 180.934 0.3 . 1 . . . . . 142 GLU C . 50448 1 1608 . 1 . 1 142 142 GLU CA C 13 57.910 0.3 . 1 . . . . . 142 GLU CA . 50448 1 1609 . 1 . 1 142 142 GLU CB C 13 31.132 0.3 . 1 . . . . . 142 GLU CB . 50448 1 1610 . 1 . 1 142 142 GLU CG C 13 36.480 0.3 . 1 . . . . . 142 GLU CG . 50448 1 1611 . 1 . 1 142 142 GLU N N 15 127.799 0.3 . 1 . . . . . 142 GLU N . 50448 1 stop_ save_