data_50507 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50507 _Entry.Title ; 1H, 15N and 13C NMR assignments of the N-terminal domain of HKU1-bCoV nucleoprotein. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-10-10 _Entry.Accession_date 2020-10-10 _Entry.Last_release_date 2020-10-12 _Entry.Original_release_date 2020-10-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.13.1 _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, 15N and 13C NMR assignments of the N-terminal domain of HKU1-bCoV nucleoprotein.' _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 Icaro Caruso . P. . 0000-0003-4464-0520 50507 2 Aline Marques . L. . 0000-0001-9730-5764 50507 3 Marcos Santana-Silva . C. . 0000-0001-6744-1669 50507 4 Gabriela Araujo . R. . . 50507 5 Peter Bezerra . R. . . 50507 6 Fabio Almeida . C.L. . 0000-0001-6046-7006 50507 7 Gisele Amorim . C. . 0000-0003-4348-9515 50507 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Rio-NMR Network' . 50507 2 . 'National Center of Nuclear Magnetic Resonance Jiri Jonas' . 50507 3 . 'Bio-NMR laboratory' . 50507 4 . NUMPEX-BIO . 50507 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50507 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 561 50507 '15N chemical shifts' 135 50507 '1H chemical shifts' 875 50507 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-10-01 . original BMRB . 50507 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50507 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33389548 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H,15N and 13C resonance assignments of the N-terminal domain of the nucleocapsid protein from the endemic human coronavirus HKU1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 153 _Citation.Page_last 157 _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 Aline 'de Luna Marques' A. . . . 50507 1 2 'Icaro Putinhon' Caruso I. P. . . 50507 1 3 'Marcos Caique' Santana-Silva M. C. . . 50507 1 4 'Peter Reis' Bezerra P. R. . . 50507 1 5 'Gabriela Rocha' Araujo G. R. . . 50507 1 6 'Fabio Ceneviva Lacerda' Almeida . . . . 50507 1 7 'Gisele Cardoso' Amorim G. C. . . 50507 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HKU1-CoV 50507 1 'N-terminal domain' 50507 1 'endemic coronavirus' 50507 1 nucleoprotein 50507 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50507 _Assembly.ID 1 _Assembly.Name N-NTD _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-NTD 1 $entity_1 . . yes native no no . . . 50507 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA binding protein' 50507 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50507 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HKU1-CoV nucleoprotein N-terminal domain' _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 ; GNTIPHYSWFSGITQFQKGR DFKFSDGQGVPIAFGVPPSE AKGYWYRHSRRSFKTADGQQ KQLLPRWYFYYLGTGPYANA SYGESLEGVFWVANHQADTS TPSDVSSRDPTTQEAIPTRF PPGTILPQGYYVEGSGRS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA binding protein' 50507 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 . 50507 1 2 . ASN . 50507 1 3 . THR . 50507 1 4 . ILE . 50507 1 5 . PRO . 50507 1 6 . HIS . 50507 1 7 . TYR . 50507 1 8 . SER . 50507 1 9 . TRP . 50507 1 10 . PHE . 50507 1 11 . SER . 50507 1 12 . GLY . 50507 1 13 . ILE . 50507 1 14 . THR . 50507 1 15 . GLN . 50507 1 16 . PHE . 50507 1 17 . GLN . 50507 1 18 . LYS . 50507 1 19 . GLY . 50507 1 20 . ARG . 50507 1 21 . ASP . 50507 1 22 . PHE . 50507 1 23 . LYS . 50507 1 24 . PHE . 50507 1 25 . SER . 50507 1 26 . ASP . 50507 1 27 . GLY . 50507 1 28 . GLN . 50507 1 29 . GLY . 50507 1 30 . VAL . 50507 1 31 . PRO . 50507 1 32 . ILE . 50507 1 33 . ALA . 50507 1 34 . PHE . 50507 1 35 . GLY . 50507 1 36 . VAL . 50507 1 37 . PRO . 50507 1 38 . PRO . 50507 1 39 . SER . 50507 1 40 . GLU . 50507 1 41 . ALA . 50507 1 42 . LYS . 50507 1 43 . GLY . 50507 1 44 . TYR . 50507 1 45 . TRP . 50507 1 46 . TYR . 50507 1 47 . ARG . 50507 1 48 . HIS . 50507 1 49 . SER . 50507 1 50 . ARG . 50507 1 51 . ARG . 50507 1 52 . SER . 50507 1 53 . PHE . 50507 1 54 . LYS . 50507 1 55 . THR . 50507 1 56 . ALA . 50507 1 57 . ASP . 50507 1 58 . GLY . 50507 1 59 . GLN . 50507 1 60 . GLN . 50507 1 61 . LYS . 50507 1 62 . GLN . 50507 1 63 . LEU . 50507 1 64 . LEU . 50507 1 65 . PRO . 50507 1 66 . ARG . 50507 1 67 . TRP . 50507 1 68 . TYR . 50507 1 69 . PHE . 50507 1 70 . TYR . 50507 1 71 . TYR . 50507 1 72 . LEU . 50507 1 73 . GLY . 50507 1 74 . THR . 50507 1 75 . GLY . 50507 1 76 . PRO . 50507 1 77 . TYR . 50507 1 78 . ALA . 50507 1 79 . ASN . 50507 1 80 . ALA . 50507 1 81 . SER . 50507 1 82 . TYR . 50507 1 83 . GLY . 50507 1 84 . GLU . 50507 1 85 . SER . 50507 1 86 . LEU . 50507 1 87 . GLU . 50507 1 88 . GLY . 50507 1 89 . VAL . 50507 1 90 . PHE . 50507 1 91 . TRP . 50507 1 92 . VAL . 50507 1 93 . ALA . 50507 1 94 . ASN . 50507 1 95 . HIS . 50507 1 96 . GLN . 50507 1 97 . ALA . 50507 1 98 . ASP . 50507 1 99 . THR . 50507 1 100 . SER . 50507 1 101 . THR . 50507 1 102 . PRO . 50507 1 103 . SER . 50507 1 104 . ASP . 50507 1 105 . VAL . 50507 1 106 . SER . 50507 1 107 . SER . 50507 1 108 . ARG . 50507 1 109 . ASP . 50507 1 110 . PRO . 50507 1 111 . THR . 50507 1 112 . THR . 50507 1 113 . GLN . 50507 1 114 . GLU . 50507 1 115 . ALA . 50507 1 116 . ILE . 50507 1 117 . PRO . 50507 1 118 . THR . 50507 1 119 . ARG . 50507 1 120 . PHE . 50507 1 121 . PRO . 50507 1 122 . PRO . 50507 1 123 . GLY . 50507 1 124 . THR . 50507 1 125 . ILE . 50507 1 126 . LEU . 50507 1 127 . PRO . 50507 1 128 . GLN . 50507 1 129 . GLY . 50507 1 130 . TYR . 50507 1 131 . TYR . 50507 1 132 . VAL . 50507 1 133 . GLU . 50507 1 134 . GLY . 50507 1 135 . SER . 50507 1 136 . GLY . 50507 1 137 . ARG . 50507 1 138 . SER . 50507 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 50507 1 . ASN 2 2 50507 1 . THR 3 3 50507 1 . ILE 4 4 50507 1 . PRO 5 5 50507 1 . HIS 6 6 50507 1 . TYR 7 7 50507 1 . SER 8 8 50507 1 . TRP 9 9 50507 1 . PHE 10 10 50507 1 . SER 11 11 50507 1 . GLY 12 12 50507 1 . ILE 13 13 50507 1 . THR 14 14 50507 1 . GLN 15 15 50507 1 . PHE 16 16 50507 1 . GLN 17 17 50507 1 . LYS 18 18 50507 1 . GLY 19 19 50507 1 . ARG 20 20 50507 1 . ASP 21 21 50507 1 . PHE 22 22 50507 1 . LYS 23 23 50507 1 . PHE 24 24 50507 1 . SER 25 25 50507 1 . ASP 26 26 50507 1 . GLY 27 27 50507 1 . GLN 28 28 50507 1 . GLY 29 29 50507 1 . VAL 30 30 50507 1 . PRO 31 31 50507 1 . ILE 32 32 50507 1 . ALA 33 33 50507 1 . PHE 34 34 50507 1 . GLY 35 35 50507 1 . VAL 36 36 50507 1 . PRO 37 37 50507 1 . PRO 38 38 50507 1 . SER 39 39 50507 1 . GLU 40 40 50507 1 . ALA 41 41 50507 1 . LYS 42 42 50507 1 . GLY 43 43 50507 1 . TYR 44 44 50507 1 . TRP 45 45 50507 1 . TYR 46 46 50507 1 . ARG 47 47 50507 1 . HIS 48 48 50507 1 . SER 49 49 50507 1 . ARG 50 50 50507 1 . ARG 51 51 50507 1 . SER 52 52 50507 1 . PHE 53 53 50507 1 . LYS 54 54 50507 1 . THR 55 55 50507 1 . ALA 56 56 50507 1 . ASP 57 57 50507 1 . GLY 58 58 50507 1 . GLN 59 59 50507 1 . GLN 60 60 50507 1 . LYS 61 61 50507 1 . GLN 62 62 50507 1 . LEU 63 63 50507 1 . LEU 64 64 50507 1 . PRO 65 65 50507 1 . ARG 66 66 50507 1 . TRP 67 67 50507 1 . TYR 68 68 50507 1 . PHE 69 69 50507 1 . TYR 70 70 50507 1 . TYR 71 71 50507 1 . LEU 72 72 50507 1 . GLY 73 73 50507 1 . THR 74 74 50507 1 . GLY 75 75 50507 1 . PRO 76 76 50507 1 . TYR 77 77 50507 1 . ALA 78 78 50507 1 . ASN 79 79 50507 1 . ALA 80 80 50507 1 . SER 81 81 50507 1 . TYR 82 82 50507 1 . GLY 83 83 50507 1 . GLU 84 84 50507 1 . SER 85 85 50507 1 . LEU 86 86 50507 1 . GLU 87 87 50507 1 . GLY 88 88 50507 1 . VAL 89 89 50507 1 . PHE 90 90 50507 1 . TRP 91 91 50507 1 . VAL 92 92 50507 1 . ALA 93 93 50507 1 . ASN 94 94 50507 1 . HIS 95 95 50507 1 . GLN 96 96 50507 1 . ALA 97 97 50507 1 . ASP 98 98 50507 1 . THR 99 99 50507 1 . SER 100 100 50507 1 . THR 101 101 50507 1 . PRO 102 102 50507 1 . SER 103 103 50507 1 . ASP 104 104 50507 1 . VAL 105 105 50507 1 . SER 106 106 50507 1 . SER 107 107 50507 1 . ARG 108 108 50507 1 . ASP 109 109 50507 1 . PRO 110 110 50507 1 . THR 111 111 50507 1 . THR 112 112 50507 1 . GLN 113 113 50507 1 . GLU 114 114 50507 1 . ALA 115 115 50507 1 . ILE 116 116 50507 1 . PRO 117 117 50507 1 . THR 118 118 50507 1 . ARG 119 119 50507 1 . PHE 120 120 50507 1 . PRO 121 121 50507 1 . PRO 122 122 50507 1 . GLY 123 123 50507 1 . THR 124 124 50507 1 . ILE 125 125 50507 1 . LEU 126 126 50507 1 . PRO 127 127 50507 1 . GLN 128 128 50507 1 . GLY 129 129 50507 1 . TYR 130 130 50507 1 . TYR 131 131 50507 1 . VAL 132 132 50507 1 . GLU 133 133 50507 1 . GLY 134 134 50507 1 . SER 135 135 50507 1 . GLY 136 136 50507 1 . ARG 137 137 50507 1 . SER 138 138 50507 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 50507 _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 . 694002 organism . 'HKU1 betacoronavirus' 'HKU1 betacoronavirus' . . Viruses . Betacoronavirus 'HKU1 betacoronavirus' . . . . . . . . . . . . . 50507 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 50507 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . . . BL21(DE3) . . plasmid . . pET28a . . . 50507 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50507 _Sample.ID 1 _Sample.Name '15N 13C HKU1 N-NTD' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N-NTD '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 250 . . uM . . . . 50507 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50507 1 3 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 50507 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50507 1 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 50507 1 6 EDTA 'natural abundance' . . . . . . 3 . . mM . . . . 50507 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 50507 _Sample_condition_list.ID 1 _Sample_condition_list.Name 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' 50 . mM 50507 1 pH 6.5 . pH 50507 1 pressure 1 . atm 50507 1 temperature 298 . K 50507 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50507 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50507 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50507 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 2020.084.12.02 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50507 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50507 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version '10.8 Rev 2020.072.12.11' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50507 3 processing . 50507 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50507 _Software.ID 4 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.5.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50507 4 'data analysis' . 50507 4 'peak picking' . 50507 4 'structure solution' . 50507 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 50507 _Software.ID 5 _Software.Type . _Software.Name ARIA2 _Software.Version 2.3.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 50507 5 'structure solution' . 50507 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 50507 _Software.ID 6 _Software.Type . _Software.Name NMRbox _Software.Version '7.14 Rev 11801' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50507 6 'data analysis' . 50507 6 'peak picking' . 50507 6 processing . 50507 6 refinement . 50507 6 'structure solution' . 50507 6 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 50507 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'BRUKER AVANCE III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50507 _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 . . . . . . . . . . . . . . . . . 50507 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 1 4 '2D HBCBCGCDHD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 1 5 '2D HBCBCGCDCEHE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 1 8 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 1 9 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 1 11 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50507 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 50507 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name REF _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 water protons . . . . ppm 117.083 na indirect . . . . . . 50507 1 H 1 water protons . . . . ppm 4.772 internal direct 1 . . . . . 50507 1 N 15 water protons . . . . ppm 45.734 na indirect . . . . . . 50507 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 50507 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Shifts _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Based on the observed differences during assignments' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50507 1 2 '2D 1H-13C HSQC aliphatic' . . . 50507 1 3 '2D 1H-13C HSQC aromatic' . . . 50507 1 4 '2D HBCBCGCDHD' . . . 50507 1 5 '2D HBCBCGCDCEHE' . . . 50507 1 6 '3D CBCA(CO)NH' . . . 50507 1 7 '3D HNCO' . . . 50507 1 8 '3D HNCACB' . . . 50507 1 9 '3D HNCA' . . . 50507 1 10 '3D HBHA(CO)NH' . . . 50507 1 11 '3D (H)CCH-TOCSY' . . . 50507 1 12 '3D HCCH-TOCSY' . . . 50507 1 13 '3D 1H-15N NOESY' . . . 50507 1 14 '3D 1H-13C NOESY aliphatic' . . . 50507 1 15 '3D 1H-13C NOESY aromatic' . . . 50507 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 4 $software_4 . . 50507 1 6 $software_6 . . 50507 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 4.840 0.000 . 1 . . . . . 1 GLY HA2 . 50507 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.840 0.000 . 1 . . . . . 1 GLY HA3 . 50507 1 3 . 1 . 1 1 1 GLY CA C 13 46.486 0.000 . 1 . . . . . 1 GLY CA . 50507 1 4 . 1 . 1 2 2 ASN H H 1 7.603 0.017 . 1 . . . . . 2 ASN H . 50507 1 5 . 1 . 1 2 2 ASN HA H 1 4.805 0.013 . 1 . . . . . 2 ASN HA . 50507 1 6 . 1 . 1 2 2 ASN HB2 H 1 2.810 0.005 . 2 . . . . . 2 ASN HB2 . 50507 1 7 . 1 . 1 2 2 ASN HB3 H 1 2.727 0.008 . 2 . . . . . 2 ASN HB3 . 50507 1 8 . 1 . 1 2 2 ASN C C 13 175.254 0.000 . 1 . . . . . 2 ASN C . 50507 1 9 . 1 . 1 2 2 ASN CA C 13 53.133 0.057 . 1 . . . . . 2 ASN CA . 50507 1 10 . 1 . 1 2 2 ASN CB C 13 39.089 0.064 . 1 . . . . . 2 ASN CB . 50507 1 11 . 1 . 1 2 2 ASN N N 15 112.969 0.076 . 1 . . . . . 2 ASN N . 50507 1 12 . 1 . 1 3 3 THR H H 1 8.243 0.008 . 1 . . . . . 3 THR H . 50507 1 13 . 1 . 1 3 3 THR HA H 1 4.302 0.006 . 1 . . . . . 3 THR HA . 50507 1 14 . 1 . 1 3 3 THR HB H 1 4.134 0.010 . 1 . . . . . 3 THR HB . 50507 1 15 . 1 . 1 3 3 THR HG21 H 1 1.121 0.016 . 1 . . . . . 3 THR HG21 . 50507 1 16 . 1 . 1 3 3 THR HG22 H 1 1.121 0.016 . 1 . . . . . 3 THR HG22 . 50507 1 17 . 1 . 1 3 3 THR HG23 H 1 1.121 0.016 . 1 . . . . . 3 THR HG23 . 50507 1 18 . 1 . 1 3 3 THR C C 13 174.081 0.000 . 1 . . . . . 3 THR C . 50507 1 19 . 1 . 1 3 3 THR CA C 13 61.767 0.090 . 1 . . . . . 3 THR CA . 50507 1 20 . 1 . 1 3 3 THR CB C 13 69.686 0.057 . 1 . . . . . 3 THR CB . 50507 1 21 . 1 . 1 3 3 THR CG2 C 13 21.719 0.069 . 1 . . . . . 3 THR CG2 . 50507 1 22 . 1 . 1 3 3 THR N N 15 115.084 0.030 . 1 . . . . . 3 THR N . 50507 1 23 . 1 . 1 4 4 ILE H H 1 8.078 0.011 . 1 . . . . . 4 ILE H . 50507 1 24 . 1 . 1 4 4 ILE HA H 1 4.357 0.013 . 1 . . . . . 4 ILE HA . 50507 1 25 . 1 . 1 4 4 ILE HB H 1 1.717 0.007 . 1 . . . . . 4 ILE HB . 50507 1 26 . 1 . 1 4 4 ILE HG12 H 1 1.343 0.009 . 2 . . . . . 4 ILE HG12 . 50507 1 27 . 1 . 1 4 4 ILE HG13 H 1 1.046 0.008 . 2 . . . . . 4 ILE HG13 . 50507 1 28 . 1 . 1 4 4 ILE HG21 H 1 0.745 0.015 . 1 . . . . . 4 ILE HG21 . 50507 1 29 . 1 . 1 4 4 ILE HG22 H 1 0.745 0.015 . 1 . . . . . 4 ILE HG22 . 50507 1 30 . 1 . 1 4 4 ILE HG23 H 1 0.745 0.015 . 1 . . . . . 4 ILE HG23 . 50507 1 31 . 1 . 1 4 4 ILE HD11 H 1 0.750 0.011 . 1 . . . . . 4 ILE HD11 . 50507 1 32 . 1 . 1 4 4 ILE HD12 H 1 0.750 0.011 . 1 . . . . . 4 ILE HD12 . 50507 1 33 . 1 . 1 4 4 ILE HD13 H 1 0.750 0.011 . 1 . . . . . 4 ILE HD13 . 50507 1 34 . 1 . 1 4 4 ILE CA C 13 58.643 0.145 . 1 . . . . . 4 ILE CA . 50507 1 35 . 1 . 1 4 4 ILE CB C 13 38.646 0.074 . 1 . . . . . 4 ILE CB . 50507 1 36 . 1 . 1 4 4 ILE CG1 C 13 26.867 0.062 . 1 . . . . . 4 ILE CG1 . 50507 1 37 . 1 . 1 4 4 ILE CG2 C 13 17.131 0.064 . 1 . . . . . 4 ILE CG2 . 50507 1 38 . 1 . 1 4 4 ILE CD1 C 13 12.757 0.019 . 1 . . . . . 4 ILE CD1 . 50507 1 39 . 1 . 1 4 4 ILE N N 15 124.642 0.066 . 1 . . . . . 4 ILE N . 50507 1 40 . 1 . 1 5 5 PRO HA H 1 4.147 0.011 . 1 . . . . . 5 PRO HA . 50507 1 41 . 1 . 1 5 5 PRO HB2 H 1 1.424 0.011 . 2 . . . . . 5 PRO HB2 . 50507 1 42 . 1 . 1 5 5 PRO HB3 H 1 1.901 0.005 . 2 . . . . . 5 PRO HB3 . 50507 1 43 . 1 . 1 5 5 PRO HG2 H 1 1.814 0.010 . 1 . . . . . 5 PRO HG2 . 50507 1 44 . 1 . 1 5 5 PRO HG3 H 1 1.814 0.010 . 1 . . . . . 5 PRO HG3 . 50507 1 45 . 1 . 1 5 5 PRO HD2 H 1 3.700 0.018 . 2 . . . . . 5 PRO HD2 . 50507 1 46 . 1 . 1 5 5 PRO HD3 H 1 3.538 0.008 . 2 . . . . . 5 PRO HD3 . 50507 1 47 . 1 . 1 5 5 PRO C C 13 175.133 0.000 . 1 . . . . . 5 PRO C . 50507 1 48 . 1 . 1 5 5 PRO CA C 13 62.643 0.052 . 1 . . . . . 5 PRO CA . 50507 1 49 . 1 . 1 5 5 PRO CB C 13 31.799 0.131 . 1 . . . . . 5 PRO CB . 50507 1 50 . 1 . 1 5 5 PRO CG C 13 27.058 0.060 . 1 . . . . . 5 PRO CG . 50507 1 51 . 1 . 1 5 5 PRO CD C 13 50.778 0.056 . 1 . . . . . 5 PRO CD . 50507 1 52 . 1 . 1 6 6 HIS H H 1 7.541 0.010 . 1 . . . . . 6 HIS H . 50507 1 53 . 1 . 1 6 6 HIS HA H 1 4.461 0.022 . 1 . . . . . 6 HIS HA . 50507 1 54 . 1 . 1 6 6 HIS HB2 H 1 2.698 0.007 . 2 . . . . . 6 HIS HB2 . 50507 1 55 . 1 . 1 6 6 HIS HB3 H 1 2.529 0.014 . 2 . . . . . 6 HIS HB3 . 50507 1 56 . 1 . 1 6 6 HIS HD2 H 1 6.732 0.012 . 1 . . . . . 6 HIS HD2 . 50507 1 57 . 1 . 1 6 6 HIS CA C 13 55.471 0.170 . 1 . . . . . 6 HIS CA . 50507 1 58 . 1 . 1 6 6 HIS CB C 13 32.495 0.091 . 1 . . . . . 6 HIS CB . 50507 1 59 . 1 . 1 6 6 HIS N N 15 117.425 0.031 . 1 . . . . . 6 HIS N . 50507 1 60 . 1 . 1 7 7 TYR H H 1 8.707 0.004 . 1 . . . . . 7 TYR H . 50507 1 61 . 1 . 1 7 7 TYR HA H 1 4.447 0.000 . 1 . . . . . 7 TYR HA . 50507 1 62 . 1 . 1 7 7 TYR HB2 H 1 2.670 0.011 . 1 . . . . . 7 TYR HB2 . 50507 1 63 . 1 . 1 7 7 TYR HB3 H 1 2.670 0.011 . 1 . . . . . 7 TYR HB3 . 50507 1 64 . 1 . 1 7 7 TYR HD1 H 1 6.994 0.005 . 1 . . . . . 7 TYR HD1 . 50507 1 65 . 1 . 1 7 7 TYR HD2 H 1 6.994 0.005 . 1 . . . . . 7 TYR HD2 . 50507 1 66 . 1 . 1 7 7 TYR CA C 13 57.822 0.000 . 1 . . . . . 7 TYR CA . 50507 1 67 . 1 . 1 7 7 TYR CB C 13 38.605 0.000 . 1 . . . . . 7 TYR CB . 50507 1 68 . 1 . 1 7 7 TYR CD1 C 13 132.484 0.029 . 1 . . . . . 7 TYR CD1 . 50507 1 69 . 1 . 1 7 7 TYR CD2 C 13 132.484 0.029 . 1 . . . . . 7 TYR CD2 . 50507 1 70 . 1 . 1 7 7 TYR N N 15 122.420 0.024 . 1 . . . . . 7 TYR N . 50507 1 71 . 1 . 1 8 8 SER HA H 1 4.270 0.016 . 1 . . . . . 8 SER HA . 50507 1 72 . 1 . 1 8 8 SER HB2 H 1 3.886 0.011 . 2 . . . . . 8 SER HB2 . 50507 1 73 . 1 . 1 8 8 SER HB3 H 1 3.783 0.019 . 2 . . . . . 8 SER HB3 . 50507 1 74 . 1 . 1 8 8 SER C C 13 176.660 0.000 . 1 . . . . . 8 SER C . 50507 1 75 . 1 . 1 8 8 SER CA C 13 57.018 0.187 . 1 . . . . . 8 SER CA . 50507 1 76 . 1 . 1 8 8 SER CB C 13 63.381 0.222 . 1 . . . . . 8 SER CB . 50507 1 77 . 1 . 1 9 9 TRP H H 1 10.206 0.008 . 1 . . . . . 9 TRP H . 50507 1 78 . 1 . 1 9 9 TRP HA H 1 3.933 0.025 . 1 . . . . . 9 TRP HA . 50507 1 79 . 1 . 1 9 9 TRP HB2 H 1 2.304 0.014 . 2 . . . . . 9 TRP HB2 . 50507 1 80 . 1 . 1 9 9 TRP HB3 H 1 2.881 0.009 . 2 . . . . . 9 TRP HB3 . 50507 1 81 . 1 . 1 9 9 TRP HD1 H 1 7.385 0.015 . 1 . . . . . 9 TRP HD1 . 50507 1 82 . 1 . 1 9 9 TRP HE1 H 1 10.431 0.004 . 1 . . . . . 9 TRP HE1 . 50507 1 83 . 1 . 1 9 9 TRP HZ2 H 1 7.431 0.006 . 1 . . . . . 9 TRP HZ2 . 50507 1 84 . 1 . 1 9 9 TRP HH2 H 1 7.074 0.014 . 1 . . . . . 9 TRP HH2 . 50507 1 85 . 1 . 1 9 9 TRP C C 13 174.453 0.000 . 1 . . . . . 9 TRP C . 50507 1 86 . 1 . 1 9 9 TRP CA C 13 61.395 0.165 . 1 . . . . . 9 TRP CA . 50507 1 87 . 1 . 1 9 9 TRP CB C 13 30.991 0.125 . 1 . . . . . 9 TRP CB . 50507 1 88 . 1 . 1 9 9 TRP CD1 C 13 124.416 0.083 . 1 . . . . . 9 TRP CD1 . 50507 1 89 . 1 . 1 9 9 TRP CZ2 C 13 114.137 0.089 . 1 . . . . . 9 TRP CZ2 . 50507 1 90 . 1 . 1 9 9 TRP CH2 C 13 123.466 0.000 . 1 . . . . . 9 TRP CH2 . 50507 1 91 . 1 . 1 9 9 TRP N N 15 128.947 0.024 . 1 . . . . . 9 TRP N . 50507 1 92 . 1 . 1 9 9 TRP NE1 N 15 128.400 0.017 . 1 . . . . . 9 TRP NE1 . 50507 1 93 . 1 . 1 10 10 PHE H H 1 8.053 0.004 . 1 . . . . . 10 PHE H . 50507 1 94 . 1 . 1 10 10 PHE HA H 1 6.045 0.007 . 1 . . . . . 10 PHE HA . 50507 1 95 . 1 . 1 10 10 PHE HB2 H 1 4.199 0.008 . 2 . . . . . 10 PHE HB2 . 50507 1 96 . 1 . 1 10 10 PHE HB3 H 1 2.692 0.017 . 2 . . . . . 10 PHE HB3 . 50507 1 97 . 1 . 1 10 10 PHE HD1 H 1 7.070 0.013 . 1 . . . . . 10 PHE HD1 . 50507 1 98 . 1 . 1 10 10 PHE HD2 H 1 7.070 0.013 . 1 . . . . . 10 PHE HD2 . 50507 1 99 . 1 . 1 10 10 PHE C C 13 177.873 0.000 . 1 . . . . . 10 PHE C . 50507 1 100 . 1 . 1 10 10 PHE CA C 13 56.600 0.037 . 1 . . . . . 10 PHE CA . 50507 1 101 . 1 . 1 10 10 PHE CB C 13 42.966 0.035 . 1 . . . . . 10 PHE CB . 50507 1 102 . 1 . 1 10 10 PHE N N 15 114.057 0.053 . 1 . . . . . 10 PHE N . 50507 1 103 . 1 . 1 11 11 SER H H 1 8.243 0.008 . 1 . . . . . 11 SER H . 50507 1 104 . 1 . 1 11 11 SER HA H 1 4.721 0.137 . 1 . . . . . 11 SER HA . 50507 1 105 . 1 . 1 11 11 SER HB2 H 1 4.015 0.028 . 1 . . . . . 11 SER HB2 . 50507 1 106 . 1 . 1 11 11 SER HB3 H 1 4.012 0.029 . 1 . . . . . 11 SER HB3 . 50507 1 107 . 1 . 1 11 11 SER C C 13 176.375 0.000 . 1 . . . . . 11 SER C . 50507 1 108 . 1 . 1 11 11 SER CA C 13 58.771 0.458 . 1 . . . . . 11 SER CA . 50507 1 109 . 1 . 1 11 11 SER CB C 13 64.204 0.299 . 1 . . . . . 11 SER CB . 50507 1 110 . 1 . 1 11 11 SER N N 15 118.182 0.046 . 1 . . . . . 11 SER N . 50507 1 111 . 1 . 1 12 12 GLY H H 1 9.255 0.011 . 1 . . . . . 12 GLY H . 50507 1 112 . 1 . 1 12 12 GLY HA2 H 1 4.659 0.012 . 1 . . . . . 12 GLY HA2 . 50507 1 113 . 1 . 1 12 12 GLY HA3 H 1 4.659 0.012 . 1 . . . . . 12 GLY HA3 . 50507 1 114 . 1 . 1 12 12 GLY C C 13 171.712 0.000 . 1 . . . . . 12 GLY C . 50507 1 115 . 1 . 1 12 12 GLY CA C 13 45.111 0.111 . 1 . . . . . 12 GLY CA . 50507 1 116 . 1 . 1 12 12 GLY N N 15 110.327 0.039 . 1 . . . . . 12 GLY N . 50507 1 117 . 1 . 1 13 13 ILE H H 1 9.151 0.005 . 1 . . . . . 13 ILE H . 50507 1 118 . 1 . 1 13 13 ILE HA H 1 4.751 0.014 . 1 . . . . . 13 ILE HA . 50507 1 119 . 1 . 1 13 13 ILE HB H 1 1.521 0.011 . 1 . . . . . 13 ILE HB . 50507 1 120 . 1 . 1 13 13 ILE HG12 H 1 1.863 0.016 . 1 . . . . . 13 ILE HG12 . 50507 1 121 . 1 . 1 13 13 ILE HG13 H 1 1.870 0.022 . 1 . . . . . 13 ILE HG13 . 50507 1 122 . 1 . 1 13 13 ILE HG21 H 1 0.764 0.014 . 1 . . . . . 13 ILE HG21 . 50507 1 123 . 1 . 1 13 13 ILE HG22 H 1 0.764 0.014 . 1 . . . . . 13 ILE HG22 . 50507 1 124 . 1 . 1 13 13 ILE HG23 H 1 0.764 0.014 . 1 . . . . . 13 ILE HG23 . 50507 1 125 . 1 . 1 13 13 ILE HD11 H 1 0.209 0.010 . 1 . . . . . 13 ILE HD11 . 50507 1 126 . 1 . 1 13 13 ILE HD12 H 1 0.209 0.010 . 1 . . . . . 13 ILE HD12 . 50507 1 127 . 1 . 1 13 13 ILE HD13 H 1 0.209 0.010 . 1 . . . . . 13 ILE HD13 . 50507 1 128 . 1 . 1 13 13 ILE C C 13 175.394 0.000 . 1 . . . . . 13 ILE C . 50507 1 129 . 1 . 1 13 13 ILE CA C 13 61.466 0.263 . 1 . . . . . 13 ILE CA . 50507 1 130 . 1 . 1 13 13 ILE CB C 13 39.686 0.340 . 1 . . . . . 13 ILE CB . 50507 1 131 . 1 . 1 13 13 ILE CG1 C 13 28.138 0.290 . 1 . . . . . 13 ILE CG1 . 50507 1 132 . 1 . 1 13 13 ILE CG2 C 13 19.135 0.079 . 1 . . . . . 13 ILE CG2 . 50507 1 133 . 1 . 1 13 13 ILE CD1 C 13 13.166 0.024 . 1 . . . . . 13 ILE CD1 . 50507 1 134 . 1 . 1 13 13 ILE N N 15 117.179 0.068 . 1 . . . . . 13 ILE N . 50507 1 135 . 1 . 1 14 14 THR H H 1 9.302 0.007 . 1 . . . . . 14 THR H . 50507 1 136 . 1 . 1 14 14 THR HA H 1 4.667 0.013 . 1 . . . . . 14 THR HA . 50507 1 137 . 1 . 1 14 14 THR HB H 1 3.568 0.007 . 1 . . . . . 14 THR HB . 50507 1 138 . 1 . 1 14 14 THR HG21 H 1 0.813 0.010 . 1 . . . . . 14 THR HG21 . 50507 1 139 . 1 . 1 14 14 THR HG22 H 1 0.813 0.010 . 1 . . . . . 14 THR HG22 . 50507 1 140 . 1 . 1 14 14 THR HG23 H 1 0.813 0.010 . 1 . . . . . 14 THR HG23 . 50507 1 141 . 1 . 1 14 14 THR C C 13 173.740 0.000 . 1 . . . . . 14 THR C . 50507 1 142 . 1 . 1 14 14 THR CA C 13 62.099 0.397 . 1 . . . . . 14 THR CA . 50507 1 143 . 1 . 1 14 14 THR CB C 13 70.301 0.051 . 1 . . . . . 14 THR CB . 50507 1 144 . 1 . 1 14 14 THR CG2 C 13 23.546 0.048 . 1 . . . . . 14 THR CG2 . 50507 1 145 . 1 . 1 14 14 THR N N 15 127.173 0.088 . 1 . . . . . 14 THR N . 50507 1 146 . 1 . 1 15 15 GLN H H 1 8.749 0.010 . 1 . . . . . 15 GLN H . 50507 1 147 . 1 . 1 15 15 GLN HA H 1 3.727 0.016 . 1 . . . . . 15 GLN HA . 50507 1 148 . 1 . 1 15 15 GLN HB2 H 1 2.126 0.000 . 1 . . . . . 15 GLN HB2 . 50507 1 149 . 1 . 1 15 15 GLN HB3 H 1 2.126 0.000 . 1 . . . . . 15 GLN HB3 . 50507 1 150 . 1 . 1 15 15 GLN HG2 H 1 1.431 0.000 . 1 . . . . . 15 GLN HG2 . 50507 1 151 . 1 . 1 15 15 GLN HG3 H 1 1.431 0.000 . 1 . . . . . 15 GLN HG3 . 50507 1 152 . 1 . 1 15 15 GLN HE21 H 1 6.476 0.006 . 1 . . . . . 15 GLN HE21 . 50507 1 153 . 1 . 1 15 15 GLN HE22 H 1 7.493 0.000 . 1 . . . . . 15 GLN HE22 . 50507 1 154 . 1 . 1 15 15 GLN C C 13 174.051 0.000 . 1 . . . . . 15 GLN C . 50507 1 155 . 1 . 1 15 15 GLN CA C 13 56.086 0.027 . 1 . . . . . 15 GLN CA . 50507 1 156 . 1 . 1 15 15 GLN CB C 13 29.021 0.010 . 1 . . . . . 15 GLN CB . 50507 1 157 . 1 . 1 15 15 GLN CG C 13 33.068 0.136 . 1 . . . . . 15 GLN CG . 50507 1 158 . 1 . 1 15 15 GLN N N 15 128.441 0.049 . 1 . . . . . 15 GLN N . 50507 1 159 . 1 . 1 15 15 GLN NE2 N 15 111.884 0.028 . 1 . . . . . 15 GLN NE2 . 50507 1 160 . 1 . 1 16 16 PHE H H 1 8.769 0.007 . 1 . . . . . 16 PHE H . 50507 1 161 . 1 . 1 16 16 PHE HA H 1 5.001 0.007 . 1 . . . . . 16 PHE HA . 50507 1 162 . 1 . 1 16 16 PHE HB2 H 1 2.682 0.020 . 2 . . . . . 16 PHE HB2 . 50507 1 163 . 1 . 1 16 16 PHE HB3 H 1 3.286 0.007 . 2 . . . . . 16 PHE HB3 . 50507 1 164 . 1 . 1 16 16 PHE HE1 H 1 6.560 0.012 . 1 . . . . . 16 PHE HE1 . 50507 1 165 . 1 . 1 16 16 PHE HE2 H 1 6.560 0.012 . 1 . . . . . 16 PHE HE2 . 50507 1 166 . 1 . 1 16 16 PHE C C 13 174.170 0.000 . 1 . . . . . 16 PHE C . 50507 1 167 . 1 . 1 16 16 PHE CA C 13 56.881 0.098 . 1 . . . . . 16 PHE CA . 50507 1 168 . 1 . 1 16 16 PHE CB C 13 40.882 0.152 . 1 . . . . . 16 PHE CB . 50507 1 169 . 1 . 1 16 16 PHE CE1 C 13 133.042 0.019 . 1 . . . . . 16 PHE CE1 . 50507 1 170 . 1 . 1 16 16 PHE CE2 C 13 133.042 0.019 . 1 . . . . . 16 PHE CE2 . 50507 1 171 . 1 . 1 16 16 PHE N N 15 122.540 0.041 . 1 . . . . . 16 PHE N . 50507 1 172 . 1 . 1 17 17 GLN H H 1 6.963 0.012 . 1 . . . . . 17 GLN H . 50507 1 173 . 1 . 1 17 17 GLN HA H 1 4.549 0.010 . 1 . . . . . 17 GLN HA . 50507 1 174 . 1 . 1 17 17 GLN HB2 H 1 1.628 0.020 . 2 . . . . . 17 GLN HB2 . 50507 1 175 . 1 . 1 17 17 GLN HB3 H 1 1.439 0.014 . 2 . . . . . 17 GLN HB3 . 50507 1 176 . 1 . 1 17 17 GLN HG2 H 1 1.855 0.021 . 2 . . . . . 17 GLN HG2 . 50507 1 177 . 1 . 1 17 17 GLN HG3 H 1 2.124 0.018 . 2 . . . . . 17 GLN HG3 . 50507 1 178 . 1 . 1 17 17 GLN HE21 H 1 7.159 0.008 . 1 . . . . . 17 GLN HE21 . 50507 1 179 . 1 . 1 17 17 GLN HE22 H 1 7.519 0.004 . 1 . . . . . 17 GLN HE22 . 50507 1 180 . 1 . 1 17 17 GLN C C 13 174.628 0.000 . 1 . . . . . 17 GLN C . 50507 1 181 . 1 . 1 17 17 GLN CA C 13 54.011 0.240 . 1 . . . . . 17 GLN CA . 50507 1 182 . 1 . 1 17 17 GLN CB C 13 31.142 0.236 . 1 . . . . . 17 GLN CB . 50507 1 183 . 1 . 1 17 17 GLN CG C 13 33.550 0.070 . 1 . . . . . 17 GLN CG . 50507 1 184 . 1 . 1 17 17 GLN N N 15 121.821 0.088 . 1 . . . . . 17 GLN N . 50507 1 185 . 1 . 1 17 17 GLN NE2 N 15 111.210 0.013 . 1 . . . . . 17 GLN NE2 . 50507 1 186 . 1 . 1 18 18 LYS H H 1 8.687 0.013 . 1 . . . . . 18 LYS H . 50507 1 187 . 1 . 1 18 18 LYS HA H 1 3.885 0.015 . 1 . . . . . 18 LYS HA . 50507 1 188 . 1 . 1 18 18 LYS HB2 H 1 1.722 0.007 . 1 . . . . . 18 LYS HB2 . 50507 1 189 . 1 . 1 18 18 LYS HB3 H 1 1.722 0.007 . 1 . . . . . 18 LYS HB3 . 50507 1 190 . 1 . 1 18 18 LYS HG2 H 1 1.455 0.018 . 2 . . . . . 18 LYS HG2 . 50507 1 191 . 1 . 1 18 18 LYS HG3 H 1 1.363 0.013 . 2 . . . . . 18 LYS HG3 . 50507 1 192 . 1 . 1 18 18 LYS HD2 H 1 1.643 0.009 . 1 . . . . . 18 LYS HD2 . 50507 1 193 . 1 . 1 18 18 LYS HD3 H 1 1.647 0.006 . 1 . . . . . 18 LYS HD3 . 50507 1 194 . 1 . 1 18 18 LYS HE2 H 1 2.945 0.006 . 1 . . . . . 18 LYS HE2 . 50507 1 195 . 1 . 1 18 18 LYS HE3 H 1 2.945 0.006 . 1 . . . . . 18 LYS HE3 . 50507 1 196 . 1 . 1 18 18 LYS CA C 13 57.480 0.107 . 1 . . . . . 18 LYS CA . 50507 1 197 . 1 . 1 18 18 LYS CB C 13 32.854 0.085 . 1 . . . . . 18 LYS CB . 50507 1 198 . 1 . 1 18 18 LYS CG C 13 25.023 0.295 . 1 . . . . . 18 LYS CG . 50507 1 199 . 1 . 1 18 18 LYS CD C 13 29.235 0.097 . 1 . . . . . 18 LYS CD . 50507 1 200 . 1 . 1 18 18 LYS CE C 13 42.049 0.049 . 1 . . . . . 18 LYS CE . 50507 1 201 . 1 . 1 18 18 LYS N N 15 125.626 0.099 . 1 . . . . . 18 LYS N . 50507 1 202 . 1 . 1 19 19 GLY HA2 H 1 3.717 0.006 . 2 . . . . . 19 GLY HA2 . 50507 1 203 . 1 . 1 19 19 GLY HA3 H 1 3.996 0.009 . 2 . . . . . 19 GLY HA3 . 50507 1 204 . 1 . 1 19 19 GLY C C 13 174.040 0.000 . 1 . . . . . 19 GLY C . 50507 1 205 . 1 . 1 19 19 GLY CA C 13 45.990 0.185 . 1 . . . . . 19 GLY CA . 50507 1 206 . 1 . 1 20 20 ARG H H 1 6.794 0.013 . 1 . . . . . 20 ARG H . 50507 1 207 . 1 . 1 20 20 ARG HA H 1 4.573 0.014 . 1 . . . . . 20 ARG HA . 50507 1 208 . 1 . 1 20 20 ARG HB2 H 1 2.061 0.008 . 2 . . . . . 20 ARG HB2 . 50507 1 209 . 1 . 1 20 20 ARG HB3 H 1 1.715 0.025 . 2 . . . . . 20 ARG HB3 . 50507 1 210 . 1 . 1 20 20 ARG HG2 H 1 1.426 0.012 . 2 . . . . . 20 ARG HG2 . 50507 1 211 . 1 . 1 20 20 ARG HG3 H 1 1.354 0.007 . 2 . . . . . 20 ARG HG3 . 50507 1 212 . 1 . 1 20 20 ARG HD2 H 1 3.068 0.009 . 2 . . . . . 20 ARG HD2 . 50507 1 213 . 1 . 1 20 20 ARG HD3 H 1 2.867 0.021 . 2 . . . . . 20 ARG HD3 . 50507 1 214 . 1 . 1 20 20 ARG CA C 13 53.238 0.274 . 1 . . . . . 20 ARG CA . 50507 1 215 . 1 . 1 20 20 ARG CB C 13 31.401 0.226 . 1 . . . . . 20 ARG CB . 50507 1 216 . 1 . 1 20 20 ARG CG C 13 26.537 0.252 . 1 . . . . . 20 ARG CG . 50507 1 217 . 1 . 1 20 20 ARG CD C 13 42.458 0.013 . 1 . . . . . 20 ARG CD . 50507 1 218 . 1 . 1 20 20 ARG N N 15 117.344 0.058 . 1 . . . . . 20 ARG N . 50507 1 219 . 1 . 1 21 21 ASP HA H 1 4.602 0.009 . 1 . . . . . 21 ASP HA . 50507 1 220 . 1 . 1 21 21 ASP HB2 H 1 2.371 0.007 . 2 . . . . . 21 ASP HB2 . 50507 1 221 . 1 . 1 21 21 ASP HB3 H 1 2.441 0.018 . 2 . . . . . 21 ASP HB3 . 50507 1 222 . 1 . 1 21 21 ASP C C 13 174.498 0.000 . 1 . . . . . 21 ASP C . 50507 1 223 . 1 . 1 21 21 ASP CA C 13 54.380 0.060 . 1 . . . . . 21 ASP CA . 50507 1 224 . 1 . 1 21 21 ASP CB C 13 41.572 0.168 . 1 . . . . . 21 ASP CB . 50507 1 225 . 1 . 1 22 22 PHE H H 1 8.548 0.013 . 1 . . . . . 22 PHE H . 50507 1 226 . 1 . 1 22 22 PHE HA H 1 2.704 0.009 . 1 . . . . . 22 PHE HA . 50507 1 227 . 1 . 1 22 22 PHE HB2 H 1 1.981 0.014 . 2 . . . . . 22 PHE HB2 . 50507 1 228 . 1 . 1 22 22 PHE HB3 H 1 1.747 0.021 . 2 . . . . . 22 PHE HB3 . 50507 1 229 . 1 . 1 22 22 PHE HD1 H 1 6.411 0.003 . 1 . . . . . 22 PHE HD1 . 50507 1 230 . 1 . 1 22 22 PHE HD2 H 1 6.411 0.003 . 1 . . . . . 22 PHE HD2 . 50507 1 231 . 1 . 1 22 22 PHE HE1 H 1 7.413 0.003 . 1 . . . . . 22 PHE HE1 . 50507 1 232 . 1 . 1 22 22 PHE HE2 H 1 7.413 0.003 . 1 . . . . . 22 PHE HE2 . 50507 1 233 . 1 . 1 22 22 PHE CA C 13 58.440 0.080 . 1 . . . . . 22 PHE CA . 50507 1 234 . 1 . 1 22 22 PHE CB C 13 38.622 0.108 . 1 . . . . . 22 PHE CB . 50507 1 235 . 1 . 1 22 22 PHE CE1 C 13 133.063 0.000 . 1 . . . . . 22 PHE CE1 . 50507 1 236 . 1 . 1 22 22 PHE CE2 C 13 133.063 0.000 . 1 . . . . . 22 PHE CE2 . 50507 1 237 . 1 . 1 22 22 PHE N N 15 125.693 0.069 . 1 . . . . . 22 PHE N . 50507 1 238 . 1 . 1 23 23 LYS HA H 1 2.302 0.008 . 1 . . . . . 23 LYS HA . 50507 1 239 . 1 . 1 23 23 LYS HB2 H 1 1.096 0.015 . 2 . . . . . 23 LYS HB2 . 50507 1 240 . 1 . 1 23 23 LYS HB3 H 1 1.462 0.013 . 2 . . . . . 23 LYS HB3 . 50507 1 241 . 1 . 1 23 23 LYS HG2 H 1 0.642 0.007 . 2 . . . . . 23 LYS HG2 . 50507 1 242 . 1 . 1 23 23 LYS HG3 H 1 0.736 0.008 . 2 . . . . . 23 LYS HG3 . 50507 1 243 . 1 . 1 23 23 LYS HD2 H 1 1.386 0.009 . 1 . . . . . 23 LYS HD2 . 50507 1 244 . 1 . 1 23 23 LYS HD3 H 1 1.382 0.007 . 1 . . . . . 23 LYS HD3 . 50507 1 245 . 1 . 1 23 23 LYS HE2 H 1 2.760 0.006 . 1 . . . . . 23 LYS HE2 . 50507 1 246 . 1 . 1 23 23 LYS HE3 H 1 2.760 0.006 . 1 . . . . . 23 LYS HE3 . 50507 1 247 . 1 . 1 23 23 LYS C C 13 172.341 0.000 . 1 . . . . . 23 LYS C . 50507 1 248 . 1 . 1 23 23 LYS CA C 13 54.305 0.053 . 1 . . . . . 23 LYS CA . 50507 1 249 . 1 . 1 23 23 LYS CB C 13 34.679 0.066 . 1 . . . . . 23 LYS CB . 50507 1 250 . 1 . 1 23 23 LYS CG C 13 22.435 0.134 . 1 . . . . . 23 LYS CG . 50507 1 251 . 1 . 1 23 23 LYS CD C 13 29.387 0.126 . 1 . . . . . 23 LYS CD . 50507 1 252 . 1 . 1 23 23 LYS CE C 13 42.012 0.087 . 1 . . . . . 23 LYS CE . 50507 1 253 . 1 . 1 24 24 PHE H H 1 6.079 0.007 . 1 . . . . . 24 PHE H . 50507 1 254 . 1 . 1 24 24 PHE HA H 1 4.243 0.025 . 1 . . . . . 24 PHE HA . 50507 1 255 . 1 . 1 24 24 PHE HB2 H 1 2.263 0.019 . 2 . . . . . 24 PHE HB2 . 50507 1 256 . 1 . 1 24 24 PHE HB3 H 1 2.913 0.010 . 2 . . . . . 24 PHE HB3 . 50507 1 257 . 1 . 1 24 24 PHE HD1 H 1 6.593 0.017 . 1 . . . . . 24 PHE HD1 . 50507 1 258 . 1 . 1 24 24 PHE HD2 H 1 6.593 0.017 . 1 . . . . . 24 PHE HD2 . 50507 1 259 . 1 . 1 24 24 PHE C C 13 175.420 0.000 . 1 . . . . . 24 PHE C . 50507 1 260 . 1 . 1 24 24 PHE CA C 13 57.176 0.156 . 1 . . . . . 24 PHE CA . 50507 1 261 . 1 . 1 24 24 PHE CB C 13 44.065 0.078 . 1 . . . . . 24 PHE CB . 50507 1 262 . 1 . 1 24 24 PHE CD1 C 13 130.495 0.000 . 1 . . . . . 24 PHE CD1 . 50507 1 263 . 1 . 1 24 24 PHE CD2 C 13 130.495 0.000 . 1 . . . . . 24 PHE CD2 . 50507 1 264 . 1 . 1 24 24 PHE N N 15 116.917 0.043 . 1 . . . . . 24 PHE N . 50507 1 265 . 1 . 1 25 25 SER H H 1 9.407 0.016 . 1 . . . . . 25 SER H . 50507 1 266 . 1 . 1 25 25 SER HA H 1 4.372 0.014 . 1 . . . . . 25 SER HA . 50507 1 267 . 1 . 1 25 25 SER HB2 H 1 3.665 0.015 . 2 . . . . . 25 SER HB2 . 50507 1 268 . 1 . 1 25 25 SER HB3 H 1 3.883 0.013 . 2 . . . . . 25 SER HB3 . 50507 1 269 . 1 . 1 25 25 SER C C 13 172.891 0.000 . 1 . . . . . 25 SER C . 50507 1 270 . 1 . 1 25 25 SER CA C 13 58.700 0.114 . 1 . . . . . 25 SER CA . 50507 1 271 . 1 . 1 25 25 SER CB C 13 63.717 0.166 . 1 . . . . . 25 SER CB . 50507 1 272 . 1 . 1 25 25 SER N N 15 118.883 0.065 . 1 . . . . . 25 SER N . 50507 1 273 . 1 . 1 26 26 ASP H H 1 8.565 0.014 . 1 . . . . . 26 ASP H . 50507 1 274 . 1 . 1 26 26 ASP HA H 1 4.503 0.013 . 1 . . . . . 26 ASP HA . 50507 1 275 . 1 . 1 26 26 ASP HB2 H 1 2.773 0.007 . 1 . . . . . 26 ASP HB2 . 50507 1 276 . 1 . 1 26 26 ASP HB3 H 1 2.773 0.007 . 1 . . . . . 26 ASP HB3 . 50507 1 277 . 1 . 1 26 26 ASP C C 13 177.288 0.000 . 1 . . . . . 26 ASP C . 50507 1 278 . 1 . 1 26 26 ASP CA C 13 56.524 0.273 . 1 . . . . . 26 ASP CA . 50507 1 279 . 1 . 1 26 26 ASP CB C 13 40.677 0.081 . 1 . . . . . 26 ASP CB . 50507 1 280 . 1 . 1 26 26 ASP N N 15 121.573 0.048 . 1 . . . . . 26 ASP N . 50507 1 281 . 1 . 1 27 27 GLY H H 1 9.159 0.006 . 1 . . . . . 27 GLY H . 50507 1 282 . 1 . 1 27 27 GLY HA2 H 1 3.990 0.010 . 2 . . . . . 27 GLY HA2 . 50507 1 283 . 1 . 1 27 27 GLY HA3 H 1 4.011 0.023 . 2 . . . . . 27 GLY HA3 . 50507 1 284 . 1 . 1 27 27 GLY C C 13 174.473 0.000 . 1 . . . . . 27 GLY C . 50507 1 285 . 1 . 1 27 27 GLY CA C 13 44.681 0.048 . 1 . . . . . 27 GLY CA . 50507 1 286 . 1 . 1 27 27 GLY N N 15 115.090 0.044 . 1 . . . . . 27 GLY N . 50507 1 287 . 1 . 1 28 28 GLN H H 1 8.375 0.006 . 1 . . . . . 28 GLN H . 50507 1 288 . 1 . 1 28 28 GLN HA H 1 4.609 0.021 . 1 . . . . . 28 GLN HA . 50507 1 289 . 1 . 1 28 28 GLN HB2 H 1 1.637 0.016 . 2 . . . . . 28 GLN HB2 . 50507 1 290 . 1 . 1 28 28 GLN HB3 H 1 1.444 0.025 . 2 . . . . . 28 GLN HB3 . 50507 1 291 . 1 . 1 28 28 GLN HG2 H 1 2.140 0.012 . 2 . . . . . 28 GLN HG2 . 50507 1 292 . 1 . 1 28 28 GLN HG3 H 1 1.839 0.015 . 2 . . . . . 28 GLN HG3 . 50507 1 293 . 1 . 1 28 28 GLN HE21 H 1 7.395 0.006 . 1 . . . . . 28 GLN HE21 . 50507 1 294 . 1 . 1 28 28 GLN HE22 H 1 6.795 0.006 . 1 . . . . . 28 GLN HE22 . 50507 1 295 . 1 . 1 28 28 GLN C C 13 175.648 0.000 . 1 . . . . . 28 GLN C . 50507 1 296 . 1 . 1 28 28 GLN CA C 13 54.192 0.179 . 1 . . . . . 28 GLN CA . 50507 1 297 . 1 . 1 28 28 GLN CB C 13 30.925 0.165 . 1 . . . . . 28 GLN CB . 50507 1 298 . 1 . 1 28 28 GLN CG C 13 33.495 0.084 . 1 . . . . . 28 GLN CG . 50507 1 299 . 1 . 1 28 28 GLN N N 15 119.417 0.046 . 1 . . . . . 28 GLN N . 50507 1 300 . 1 . 1 28 28 GLN NE2 N 15 111.349 0.117 . 1 . . . . . 28 GLN NE2 . 50507 1 301 . 1 . 1 29 29 GLY H H 1 7.915 0.011 . 1 . . . . . 29 GLY H . 50507 1 302 . 1 . 1 29 29 GLY HA2 H 1 1.470 0.016 . 2 . . . . . 29 GLY HA2 . 50507 1 303 . 1 . 1 29 29 GLY HA3 H 1 3.061 0.015 . 2 . . . . . 29 GLY HA3 . 50507 1 304 . 1 . 1 29 29 GLY C C 13 172.998 0.000 . 1 . . . . . 29 GLY C . 50507 1 305 . 1 . 1 29 29 GLY CA C 13 43.800 0.035 . 1 . . . . . 29 GLY CA . 50507 1 306 . 1 . 1 29 29 GLY N N 15 101.115 0.050 . 1 . . . . . 29 GLY N . 50507 1 307 . 1 . 1 30 30 VAL H H 1 7.521 0.006 . 1 . . . . . 30 VAL H . 50507 1 308 . 1 . 1 30 30 VAL HA H 1 3.890 0.012 . 1 . . . . . 30 VAL HA . 50507 1 309 . 1 . 1 30 30 VAL HB H 1 1.726 0.019 . 1 . . . . . 30 VAL HB . 50507 1 310 . 1 . 1 30 30 VAL HG11 H 1 0.533 0.016 . 2 . . . . . 30 VAL HG11 . 50507 1 311 . 1 . 1 30 30 VAL HG12 H 1 0.533 0.016 . 2 . . . . . 30 VAL HG12 . 50507 1 312 . 1 . 1 30 30 VAL HG13 H 1 0.533 0.016 . 2 . . . . . 30 VAL HG13 . 50507 1 313 . 1 . 1 30 30 VAL HG21 H 1 0.533 0.015 . 2 . . . . . 30 VAL HG21 . 50507 1 314 . 1 . 1 30 30 VAL HG22 H 1 0.533 0.015 . 2 . . . . . 30 VAL HG22 . 50507 1 315 . 1 . 1 30 30 VAL HG23 H 1 0.533 0.015 . 2 . . . . . 30 VAL HG23 . 50507 1 316 . 1 . 1 30 30 VAL CA C 13 58.874 0.091 . 1 . . . . . 30 VAL CA . 50507 1 317 . 1 . 1 30 30 VAL CB C 13 31.870 0.160 . 1 . . . . . 30 VAL CB . 50507 1 318 . 1 . 1 30 30 VAL CG1 C 13 20.693 0.196 . 2 . . . . . 30 VAL CG1 . 50507 1 319 . 1 . 1 30 30 VAL CG2 C 13 20.185 0.382 . 2 . . . . . 30 VAL CG2 . 50507 1 320 . 1 . 1 30 30 VAL N N 15 121.503 0.036 . 1 . . . . . 30 VAL N . 50507 1 321 . 1 . 1 31 31 PRO HA H 1 3.839 0.013 . 1 . . . . . 31 PRO HA . 50507 1 322 . 1 . 1 31 31 PRO HB2 H 1 1.223 0.010 . 2 . . . . . 31 PRO HB2 . 50507 1 323 . 1 . 1 31 31 PRO HB3 H 1 0.118 0.014 . 2 . . . . . 31 PRO HB3 . 50507 1 324 . 1 . 1 31 31 PRO HG2 H 1 0.130 0.024 . 2 . . . . . 31 PRO HG2 . 50507 1 325 . 1 . 1 31 31 PRO HG3 H 1 0.780 0.016 . 2 . . . . . 31 PRO HG3 . 50507 1 326 . 1 . 1 31 31 PRO HD2 H 1 2.937 0.015 . 2 . . . . . 31 PRO HD2 . 50507 1 327 . 1 . 1 31 31 PRO HD3 H 1 1.151 0.017 . 2 . . . . . 31 PRO HD3 . 50507 1 328 . 1 . 1 31 31 PRO C C 13 174.499 0.000 . 1 . . . . . 31 PRO C . 50507 1 329 . 1 . 1 31 31 PRO CA C 13 61.856 0.107 . 1 . . . . . 31 PRO CA . 50507 1 330 . 1 . 1 31 31 PRO CB C 13 31.582 0.097 . 1 . . . . . 31 PRO CB . 50507 1 331 . 1 . 1 31 31 PRO CG C 13 27.462 0.025 . 1 . . . . . 31 PRO CG . 50507 1 332 . 1 . 1 31 31 PRO CD C 13 49.583 0.027 . 1 . . . . . 31 PRO CD . 50507 1 333 . 1 . 1 32 32 ILE H H 1 7.559 0.007 . 1 . . . . . 32 ILE H . 50507 1 334 . 1 . 1 32 32 ILE HA H 1 3.699 0.010 . 1 . . . . . 32 ILE HA . 50507 1 335 . 1 . 1 32 32 ILE HB H 1 1.324 0.014 . 1 . . . . . 32 ILE HB . 50507 1 336 . 1 . 1 32 32 ILE HG12 H 1 0.956 0.008 . 2 . . . . . 32 ILE HG12 . 50507 1 337 . 1 . 1 32 32 ILE HG13 H 1 1.501 0.013 . 2 . . . . . 32 ILE HG13 . 50507 1 338 . 1 . 1 32 32 ILE HG21 H 1 0.704 0.011 . 1 . . . . . 32 ILE HG21 . 50507 1 339 . 1 . 1 32 32 ILE HG22 H 1 0.704 0.011 . 1 . . . . . 32 ILE HG22 . 50507 1 340 . 1 . 1 32 32 ILE HG23 H 1 0.704 0.011 . 1 . . . . . 32 ILE HG23 . 50507 1 341 . 1 . 1 32 32 ILE HD11 H 1 0.578 0.008 . 1 . . . . . 32 ILE HD11 . 50507 1 342 . 1 . 1 32 32 ILE HD12 H 1 0.578 0.008 . 1 . . . . . 32 ILE HD12 . 50507 1 343 . 1 . 1 32 32 ILE HD13 H 1 0.578 0.008 . 1 . . . . . 32 ILE HD13 . 50507 1 344 . 1 . 1 32 32 ILE C C 13 176.163 0.000 . 1 . . . . . 32 ILE C . 50507 1 345 . 1 . 1 32 32 ILE CA C 13 61.863 0.127 . 1 . . . . . 32 ILE CA . 50507 1 346 . 1 . 1 32 32 ILE CB C 13 39.325 0.052 . 1 . . . . . 32 ILE CB . 50507 1 347 . 1 . 1 32 32 ILE CG1 C 13 27.504 0.211 . 1 . . . . . 32 ILE CG1 . 50507 1 348 . 1 . 1 32 32 ILE CG2 C 13 17.116 0.058 . 1 . . . . . 32 ILE CG2 . 50507 1 349 . 1 . 1 32 32 ILE CD1 C 13 13.552 0.038 . 1 . . . . . 32 ILE CD1 . 50507 1 350 . 1 . 1 32 32 ILE N N 15 118.036 0.037 . 1 . . . . . 32 ILE N . 50507 1 351 . 1 . 1 33 33 ALA H H 1 8.260 0.014 . 1 . . . . . 33 ALA H . 50507 1 352 . 1 . 1 33 33 ALA HA H 1 4.694 0.022 . 1 . . . . . 33 ALA HA . 50507 1 353 . 1 . 1 33 33 ALA HB1 H 1 1.366 0.013 . 1 . . . . . 33 ALA HB1 . 50507 1 354 . 1 . 1 33 33 ALA HB2 H 1 1.366 0.013 . 1 . . . . . 33 ALA HB2 . 50507 1 355 . 1 . 1 33 33 ALA HB3 H 1 1.366 0.013 . 1 . . . . . 33 ALA HB3 . 50507 1 356 . 1 . 1 33 33 ALA C C 13 176.517 0.000 . 1 . . . . . 33 ALA C . 50507 1 357 . 1 . 1 33 33 ALA CA C 13 50.958 0.070 . 1 . . . . . 33 ALA CA . 50507 1 358 . 1 . 1 33 33 ALA CB C 13 21.677 0.068 . 1 . . . . . 33 ALA CB . 50507 1 359 . 1 . 1 33 33 ALA N N 15 129.847 0.072 . 1 . . . . . 33 ALA N . 50507 1 360 . 1 . 1 34 34 PHE H H 1 8.800 0.019 . 1 . . . . . 34 PHE H . 50507 1 361 . 1 . 1 34 34 PHE HA H 1 4.221 0.017 . 1 . . . . . 34 PHE HA . 50507 1 362 . 1 . 1 34 34 PHE HB2 H 1 2.897 0.010 . 2 . . . . . 34 PHE HB2 . 50507 1 363 . 1 . 1 34 34 PHE HB3 H 1 3.107 0.011 . 2 . . . . . 34 PHE HB3 . 50507 1 364 . 1 . 1 34 34 PHE HD1 H 1 7.185 0.021 . 1 . . . . . 34 PHE HD1 . 50507 1 365 . 1 . 1 34 34 PHE HD2 H 1 7.185 0.021 . 1 . . . . . 34 PHE HD2 . 50507 1 366 . 1 . 1 34 34 PHE C C 13 176.796 0.000 . 1 . . . . . 34 PHE C . 50507 1 367 . 1 . 1 34 34 PHE CA C 13 59.692 0.075 . 1 . . . . . 34 PHE CA . 50507 1 368 . 1 . 1 34 34 PHE CB C 13 38.696 0.085 . 1 . . . . . 34 PHE CB . 50507 1 369 . 1 . 1 34 34 PHE CD1 C 13 131.787 0.256 . 1 . . . . . 34 PHE CD1 . 50507 1 370 . 1 . 1 34 34 PHE CD2 C 13 131.787 0.256 . 1 . . . . . 34 PHE CD2 . 50507 1 371 . 1 . 1 34 34 PHE N N 15 124.968 0.122 . 1 . . . . . 34 PHE N . 50507 1 372 . 1 . 1 35 35 GLY H H 1 8.382 0.006 . 1 . . . . . 35 GLY H . 50507 1 373 . 1 . 1 35 35 GLY HA2 H 1 3.313 0.013 . 2 . . . . . 35 GLY HA2 . 50507 1 374 . 1 . 1 35 35 GLY HA3 H 1 3.808 0.020 . 2 . . . . . 35 GLY HA3 . 50507 1 375 . 1 . 1 35 35 GLY C C 13 173.535 0.000 . 1 . . . . . 35 GLY C . 50507 1 376 . 1 . 1 35 35 GLY CA C 13 44.886 0.166 . 1 . . . . . 35 GLY CA . 50507 1 377 . 1 . 1 35 35 GLY N N 15 113.273 0.082 . 1 . . . . . 35 GLY N . 50507 1 378 . 1 . 1 36 36 VAL H H 1 7.285 0.007 . 1 . . . . . 36 VAL H . 50507 1 379 . 1 . 1 36 36 VAL HA H 1 4.359 0.014 . 1 . . . . . 36 VAL HA . 50507 1 380 . 1 . 1 36 36 VAL HB H 1 2.019 0.010 . 1 . . . . . 36 VAL HB . 50507 1 381 . 1 . 1 36 36 VAL HG11 H 1 0.811 0.007 . 2 . . . . . 36 VAL HG11 . 50507 1 382 . 1 . 1 36 36 VAL HG12 H 1 0.811 0.007 . 2 . . . . . 36 VAL HG12 . 50507 1 383 . 1 . 1 36 36 VAL HG13 H 1 0.811 0.007 . 2 . . . . . 36 VAL HG13 . 50507 1 384 . 1 . 1 36 36 VAL HG21 H 1 0.668 0.016 . 2 . . . . . 36 VAL HG21 . 50507 1 385 . 1 . 1 36 36 VAL HG22 H 1 0.668 0.016 . 2 . . . . . 36 VAL HG22 . 50507 1 386 . 1 . 1 36 36 VAL HG23 H 1 0.668 0.016 . 2 . . . . . 36 VAL HG23 . 50507 1 387 . 1 . 1 36 36 VAL CA C 13 59.569 0.222 . 1 . . . . . 36 VAL CA . 50507 1 388 . 1 . 1 36 36 VAL CB C 13 32.531 0.032 . 1 . . . . . 36 VAL CB . 50507 1 389 . 1 . 1 36 36 VAL CG1 C 13 20.629 0.048 . 2 . . . . . 36 VAL CG1 . 50507 1 390 . 1 . 1 36 36 VAL CG2 C 13 21.294 0.044 . 2 . . . . . 36 VAL CG2 . 50507 1 391 . 1 . 1 36 36 VAL N N 15 122.457 0.038 . 1 . . . . . 36 VAL N . 50507 1 392 . 1 . 1 37 37 PRO HA H 1 4.739 0.010 . 1 . . . . . 37 PRO HA . 50507 1 393 . 1 . 1 37 37 PRO HB2 H 1 2.371 0.014 . 1 . . . . . 37 PRO HB2 . 50507 1 394 . 1 . 1 37 37 PRO HB3 H 1 2.371 0.014 . 1 . . . . . 37 PRO HB3 . 50507 1 395 . 1 . 1 37 37 PRO HG2 H 1 2.025 0.015 . 1 . . . . . 37 PRO HG2 . 50507 1 396 . 1 . 1 37 37 PRO HG3 H 1 2.026 0.016 . 1 . . . . . 37 PRO HG3 . 50507 1 397 . 1 . 1 37 37 PRO HD2 H 1 3.995 0.011 . 2 . . . . . 37 PRO HD2 . 50507 1 398 . 1 . 1 37 37 PRO HD3 H 1 3.544 0.013 . 2 . . . . . 37 PRO HD3 . 50507 1 399 . 1 . 1 37 37 PRO CA C 13 61.830 0.000 . 1 . . . . . 37 PRO CA . 50507 1 400 . 1 . 1 37 37 PRO CB C 13 31.285 0.216 . 1 . . . . . 37 PRO CB . 50507 1 401 . 1 . 1 37 37 PRO CG C 13 26.939 0.065 . 1 . . . . . 37 PRO CG . 50507 1 402 . 1 . 1 37 37 PRO CD C 13 51.118 0.283 . 1 . . . . . 37 PRO CD . 50507 1 403 . 1 . 1 38 38 PRO HA H 1 4.243 0.014 . 1 . . . . . 38 PRO HA . 50507 1 404 . 1 . 1 38 38 PRO HB2 H 1 2.282 0.007 . 2 . . . . . 38 PRO HB2 . 50507 1 405 . 1 . 1 38 38 PRO HB3 H 1 1.783 0.021 . 2 . . . . . 38 PRO HB3 . 50507 1 406 . 1 . 1 38 38 PRO HG2 H 1 2.096 0.018 . 2 . . . . . 38 PRO HG2 . 50507 1 407 . 1 . 1 38 38 PRO HG3 H 1 2.025 0.009 . 2 . . . . . 38 PRO HG3 . 50507 1 408 . 1 . 1 38 38 PRO HD2 H 1 3.806 0.021 . 1 . . . . . 38 PRO HD2 . 50507 1 409 . 1 . 1 38 38 PRO HD3 H 1 3.808 0.018 . 1 . . . . . 38 PRO HD3 . 50507 1 410 . 1 . 1 38 38 PRO C C 13 177.550 0.000 . 1 . . . . . 38 PRO C . 50507 1 411 . 1 . 1 38 38 PRO CA C 13 65.071 0.101 . 1 . . . . . 38 PRO CA . 50507 1 412 . 1 . 1 38 38 PRO CB C 13 31.858 0.070 . 1 . . . . . 38 PRO CB . 50507 1 413 . 1 . 1 38 38 PRO CG C 13 27.521 0.208 . 1 . . . . . 38 PRO CG . 50507 1 414 . 1 . 1 38 38 PRO CD C 13 50.499 0.201 . 1 . . . . . 38 PRO CD . 50507 1 415 . 1 . 1 39 39 SER H H 1 7.605 0.011 . 1 . . . . . 39 SER H . 50507 1 416 . 1 . 1 39 39 SER HA H 1 3.897 0.015 . 1 . . . . . 39 SER HA . 50507 1 417 . 1 . 1 39 39 SER HB2 H 1 3.833 0.017 . 2 . . . . . 39 SER HB2 . 50507 1 418 . 1 . 1 39 39 SER HB3 H 1 3.867 0.029 . 2 . . . . . 39 SER HB3 . 50507 1 419 . 1 . 1 39 39 SER C C 13 176.018 0.000 . 1 . . . . . 39 SER C . 50507 1 420 . 1 . 1 39 39 SER CA C 13 60.442 0.108 . 1 . . . . . 39 SER CA . 50507 1 421 . 1 . 1 39 39 SER CB C 13 62.082 0.224 . 1 . . . . . 39 SER CB . 50507 1 422 . 1 . 1 39 39 SER N N 15 107.927 0.045 . 1 . . . . . 39 SER N . 50507 1 423 . 1 . 1 40 40 GLU H H 1 7.980 0.005 . 1 . . . . . 40 GLU H . 50507 1 424 . 1 . 1 40 40 GLU HA H 1 4.658 0.016 . 1 . . . . . 40 GLU HA . 50507 1 425 . 1 . 1 40 40 GLU HB2 H 1 1.684 0.018 . 2 . . . . . 40 GLU HB2 . 50507 1 426 . 1 . 1 40 40 GLU HB3 H 1 2.275 0.024 . 2 . . . . . 40 GLU HB3 . 50507 1 427 . 1 . 1 40 40 GLU C C 13 176.201 0.000 . 1 . . . . . 40 GLU C . 50507 1 428 . 1 . 1 40 40 GLU CA C 13 54.130 0.099 . 1 . . . . . 40 GLU CA . 50507 1 429 . 1 . 1 40 40 GLU CB C 13 28.977 0.061 . 1 . . . . . 40 GLU CB . 50507 1 430 . 1 . 1 40 40 GLU N N 15 118.099 0.051 . 1 . . . . . 40 GLU N . 50507 1 431 . 1 . 1 41 41 ALA H H 1 7.480 0.005 . 1 . . . . . 41 ALA H . 50507 1 432 . 1 . 1 41 41 ALA HA H 1 4.474 0.010 . 1 . . . . . 41 ALA HA . 50507 1 433 . 1 . 1 41 41 ALA HB1 H 1 1.475 0.013 . 1 . . . . . 41 ALA HB1 . 50507 1 434 . 1 . 1 41 41 ALA HB2 H 1 1.475 0.013 . 1 . . . . . 41 ALA HB2 . 50507 1 435 . 1 . 1 41 41 ALA HB3 H 1 1.475 0.013 . 1 . . . . . 41 ALA HB3 . 50507 1 436 . 1 . 1 41 41 ALA C C 13 172.849 0.000 . 1 . . . . . 41 ALA C . 50507 1 437 . 1 . 1 41 41 ALA CA C 13 51.780 0.103 . 1 . . . . . 41 ALA CA . 50507 1 438 . 1 . 1 41 41 ALA CB C 13 17.305 0.070 . 1 . . . . . 41 ALA CB . 50507 1 439 . 1 . 1 41 41 ALA N N 15 124.740 0.029 . 1 . . . . . 41 ALA N . 50507 1 440 . 1 . 1 42 42 LYS H H 1 8.220 0.015 . 1 . . . . . 42 LYS H . 50507 1 441 . 1 . 1 42 42 LYS HA H 1 5.288 0.010 . 1 . . . . . 42 LYS HA . 50507 1 442 . 1 . 1 42 42 LYS HB2 H 1 1.648 0.026 . 2 . . . . . 42 LYS HB2 . 50507 1 443 . 1 . 1 42 42 LYS HB3 H 1 1.641 0.020 . 2 . . . . . 42 LYS HB3 . 50507 1 444 . 1 . 1 42 42 LYS HG2 H 1 1.277 0.013 . 1 . . . . . 42 LYS HG2 . 50507 1 445 . 1 . 1 42 42 LYS HG3 H 1 1.277 0.013 . 1 . . . . . 42 LYS HG3 . 50507 1 446 . 1 . 1 42 42 LYS HD2 H 1 1.634 0.013 . 1 . . . . . 42 LYS HD2 . 50507 1 447 . 1 . 1 42 42 LYS HD3 H 1 1.637 0.014 . 1 . . . . . 42 LYS HD3 . 50507 1 448 . 1 . 1 42 42 LYS HE2 H 1 2.923 0.027 . 1 . . . . . 42 LYS HE2 . 50507 1 449 . 1 . 1 42 42 LYS HE3 H 1 2.923 0.027 . 1 . . . . . 42 LYS HE3 . 50507 1 450 . 1 . 1 42 42 LYS C C 13 175.805 0.000 . 1 . . . . . 42 LYS C . 50507 1 451 . 1 . 1 42 42 LYS CA C 13 54.194 0.021 . 1 . . . . . 42 LYS CA . 50507 1 452 . 1 . 1 42 42 LYS CB C 13 33.772 0.149 . 1 . . . . . 42 LYS CB . 50507 1 453 . 1 . 1 42 42 LYS CG C 13 23.504 0.000 . 1 . . . . . 42 LYS CG . 50507 1 454 . 1 . 1 42 42 LYS CD C 13 29.192 0.066 . 1 . . . . . 42 LYS CD . 50507 1 455 . 1 . 1 42 42 LYS CE C 13 42.292 0.217 . 1 . . . . . 42 LYS CE . 50507 1 456 . 1 . 1 42 42 LYS N N 15 119.332 0.047 . 1 . . . . . 42 LYS N . 50507 1 457 . 1 . 1 43 43 GLY H H 1 9.958 0.005 . 1 . . . . . 43 GLY H . 50507 1 458 . 1 . 1 43 43 GLY HA2 H 1 4.041 0.015 . 2 . . . . . 43 GLY HA2 . 50507 1 459 . 1 . 1 43 43 GLY HA3 H 1 4.864 0.021 . 2 . . . . . 43 GLY HA3 . 50507 1 460 . 1 . 1 43 43 GLY C C 13 169.012 0.000 . 1 . . . . . 43 GLY C . 50507 1 461 . 1 . 1 43 43 GLY CA C 13 47.695 0.094 . 1 . . . . . 43 GLY CA . 50507 1 462 . 1 . 1 43 43 GLY N N 15 109.481 0.033 . 1 . . . . . 43 GLY N . 50507 1 463 . 1 . 1 44 44 TYR H H 1 8.512 0.007 . 1 . . . . . 44 TYR H . 50507 1 464 . 1 . 1 44 44 TYR HA H 1 5.572 0.008 . 1 . . . . . 44 TYR HA . 50507 1 465 . 1 . 1 44 44 TYR HB2 H 1 1.960 0.019 . 2 . . . . . 44 TYR HB2 . 50507 1 466 . 1 . 1 44 44 TYR HB3 H 1 2.289 0.012 . 2 . . . . . 44 TYR HB3 . 50507 1 467 . 1 . 1 44 44 TYR HD1 H 1 6.665 0.019 . 1 . . . . . 44 TYR HD1 . 50507 1 468 . 1 . 1 44 44 TYR HD2 H 1 6.665 0.019 . 1 . . . . . 44 TYR HD2 . 50507 1 469 . 1 . 1 44 44 TYR HE1 H 1 6.540 0.019 . 1 . . . . . 44 TYR HE1 . 50507 1 470 . 1 . 1 44 44 TYR HE2 H 1 6.540 0.019 . 1 . . . . . 44 TYR HE2 . 50507 1 471 . 1 . 1 44 44 TYR C C 13 172.219 0.000 . 1 . . . . . 44 TYR C . 50507 1 472 . 1 . 1 44 44 TYR CA C 13 54.934 0.072 . 1 . . . . . 44 TYR CA . 50507 1 473 . 1 . 1 44 44 TYR CB C 13 39.022 0.075 . 1 . . . . . 44 TYR CB . 50507 1 474 . 1 . 1 44 44 TYR CD1 C 13 134.129 0.054 . 1 . . . . . 44 TYR CD1 . 50507 1 475 . 1 . 1 44 44 TYR CD2 C 13 134.129 0.054 . 1 . . . . . 44 TYR CD2 . 50507 1 476 . 1 . 1 44 44 TYR CE1 C 13 117.463 0.080 . 1 . . . . . 44 TYR CE1 . 50507 1 477 . 1 . 1 44 44 TYR CE2 C 13 117.463 0.080 . 1 . . . . . 44 TYR CE2 . 50507 1 478 . 1 . 1 44 44 TYR N N 15 118.309 0.040 . 1 . . . . . 44 TYR N . 50507 1 479 . 1 . 1 45 45 TRP H H 1 9.405 0.006 . 1 . . . . . 45 TRP H . 50507 1 480 . 1 . 1 45 45 TRP HA H 1 5.289 0.011 . 1 . . . . . 45 TRP HA . 50507 1 481 . 1 . 1 45 45 TRP HB2 H 1 3.283 0.015 . 2 . . . . . 45 TRP HB2 . 50507 1 482 . 1 . 1 45 45 TRP HB3 H 1 3.517 0.018 . 2 . . . . . 45 TRP HB3 . 50507 1 483 . 1 . 1 45 45 TRP HD1 H 1 7.114 0.012 . 1 . . . . . 45 TRP HD1 . 50507 1 484 . 1 . 1 45 45 TRP HE1 H 1 10.914 0.010 . 1 . . . . . 45 TRP HE1 . 50507 1 485 . 1 . 1 45 45 TRP HZ2 H 1 7.233 0.013 . 1 . . . . . 45 TRP HZ2 . 50507 1 486 . 1 . 1 45 45 TRP HH2 H 1 7.194 0.019 . 1 . . . . . 45 TRP HH2 . 50507 1 487 . 1 . 1 45 45 TRP C C 13 175.618 0.000 . 1 . . . . . 45 TRP C . 50507 1 488 . 1 . 1 45 45 TRP CA C 13 55.975 0.080 . 1 . . . . . 45 TRP CA . 50507 1 489 . 1 . 1 45 45 TRP CB C 13 32.822 0.031 . 1 . . . . . 45 TRP CB . 50507 1 490 . 1 . 1 45 45 TRP CD1 C 13 126.900 0.087 . 1 . . . . . 45 TRP CD1 . 50507 1 491 . 1 . 1 45 45 TRP CZ2 C 13 114.162 0.026 . 1 . . . . . 45 TRP CZ2 . 50507 1 492 . 1 . 1 45 45 TRP CH2 C 13 124.931 0.094 . 1 . . . . . 45 TRP CH2 . 50507 1 493 . 1 . 1 45 45 TRP N N 15 120.341 0.048 . 1 . . . . . 45 TRP N . 50507 1 494 . 1 . 1 45 45 TRP NE1 N 15 132.547 0.042 . 1 . . . . . 45 TRP NE1 . 50507 1 495 . 1 . 1 46 46 TYR H H 1 10.427 0.008 . 1 . . . . . 46 TYR H . 50507 1 496 . 1 . 1 46 46 TYR HA H 1 5.762 0.011 . 1 . . . . . 46 TYR HA . 50507 1 497 . 1 . 1 46 46 TYR HB2 H 1 3.291 0.014 . 2 . . . . . 46 TYR HB2 . 50507 1 498 . 1 . 1 46 46 TYR HB3 H 1 3.399 0.021 . 2 . . . . . 46 TYR HB3 . 50507 1 499 . 1 . 1 46 46 TYR HD1 H 1 7.162 0.019 . 1 . . . . . 46 TYR HD1 . 50507 1 500 . 1 . 1 46 46 TYR HD2 H 1 7.162 0.019 . 1 . . . . . 46 TYR HD2 . 50507 1 501 . 1 . 1 46 46 TYR HE1 H 1 6.723 0.014 . 1 . . . . . 46 TYR HE1 . 50507 1 502 . 1 . 1 46 46 TYR HE2 H 1 6.723 0.014 . 1 . . . . . 46 TYR HE2 . 50507 1 503 . 1 . 1 46 46 TYR C C 13 173.695 0.000 . 1 . . . . . 46 TYR C . 50507 1 504 . 1 . 1 46 46 TYR CA C 13 55.611 0.095 . 1 . . . . . 46 TYR CA . 50507 1 505 . 1 . 1 46 46 TYR CB C 13 42.642 0.221 . 1 . . . . . 46 TYR CB . 50507 1 506 . 1 . 1 46 46 TYR CD1 C 13 133.080 0.078 . 1 . . . . . 46 TYR CD1 . 50507 1 507 . 1 . 1 46 46 TYR CD2 C 13 133.080 0.078 . 1 . . . . . 46 TYR CD2 . 50507 1 508 . 1 . 1 46 46 TYR CE1 C 13 118.509 0.224 . 1 . . . . . 46 TYR CE1 . 50507 1 509 . 1 . 1 46 46 TYR CE2 C 13 118.509 0.224 . 1 . . . . . 46 TYR CE2 . 50507 1 510 . 1 . 1 46 46 TYR N N 15 125.840 0.059 . 1 . . . . . 46 TYR N . 50507 1 511 . 1 . 1 47 47 ARG H H 1 8.010 0.006 . 1 . . . . . 47 ARG H . 50507 1 512 . 1 . 1 47 47 ARG HA H 1 3.008 0.009 . 1 . . . . . 47 ARG HA . 50507 1 513 . 1 . 1 47 47 ARG HB2 H 1 -1.358 0.011 . 1 . . . . . 47 ARG HB2 . 50507 1 514 . 1 . 1 47 47 ARG HB3 H 1 -1.350 0.016 . 1 . . . . . 47 ARG HB3 . 50507 1 515 . 1 . 1 47 47 ARG HG2 H 1 0.925 0.000 . 2 . . . . . 47 ARG HG2 . 50507 1 516 . 1 . 1 47 47 ARG HG3 H 1 0.660 0.000 . 2 . . . . . 47 ARG HG3 . 50507 1 517 . 1 . 1 47 47 ARG HD2 H 1 0.104 0.006 . 1 . . . . . 47 ARG HD2 . 50507 1 518 . 1 . 1 47 47 ARG HD3 H 1 0.104 0.006 . 1 . . . . . 47 ARG HD3 . 50507 1 519 . 1 . 1 47 47 ARG C C 13 173.759 0.000 . 1 . . . . . 47 ARG C . 50507 1 520 . 1 . 1 47 47 ARG CA C 13 56.085 0.186 . 1 . . . . . 47 ARG CA . 50507 1 521 . 1 . 1 47 47 ARG CB C 13 28.897 0.053 . 1 . . . . . 47 ARG CB . 50507 1 522 . 1 . 1 47 47 ARG CD C 13 42.892 0.000 . 1 . . . . . 47 ARG CD . 50507 1 523 . 1 . 1 47 47 ARG N N 15 131.224 0.032 . 1 . . . . . 47 ARG N . 50507 1 524 . 1 . 1 48 48 HIS H H 1 9.225 0.010 . 1 . . . . . 48 HIS H . 50507 1 525 . 1 . 1 48 48 HIS HA H 1 4.595 0.103 . 1 . . . . . 48 HIS HA . 50507 1 526 . 1 . 1 48 48 HIS HB2 H 1 3.470 0.006 . 2 . . . . . 48 HIS HB2 . 50507 1 527 . 1 . 1 48 48 HIS HB3 H 1 3.259 0.015 . 2 . . . . . 48 HIS HB3 . 50507 1 528 . 1 . 1 48 48 HIS HD2 H 1 7.212 0.010 . 1 . . . . . 48 HIS HD2 . 50507 1 529 . 1 . 1 48 48 HIS C C 13 174.837 0.000 . 1 . . . . . 48 HIS C . 50507 1 530 . 1 . 1 48 48 HIS CA C 13 55.510 0.102 . 1 . . . . . 48 HIS CA . 50507 1 531 . 1 . 1 48 48 HIS CB C 13 31.435 0.079 . 1 . . . . . 48 HIS CB . 50507 1 532 . 1 . 1 48 48 HIS CD2 C 13 120.849 0.000 . 1 . . . . . 48 HIS CD2 . 50507 1 533 . 1 . 1 48 48 HIS N N 15 129.514 0.045 . 1 . . . . . 48 HIS N . 50507 1 534 . 1 . 1 49 49 SER H H 1 8.267 0.021 . 1 . . . . . 49 SER H . 50507 1 535 . 1 . 1 49 49 SER HA H 1 4.295 0.012 . 1 . . . . . 49 SER HA . 50507 1 536 . 1 . 1 49 49 SER HB2 H 1 3.748 0.012 . 1 . . . . . 49 SER HB2 . 50507 1 537 . 1 . 1 49 49 SER HB3 H 1 3.746 0.013 . 1 . . . . . 49 SER HB3 . 50507 1 538 . 1 . 1 49 49 SER C C 13 174.117 0.000 . 1 . . . . . 49 SER C . 50507 1 539 . 1 . 1 49 49 SER CA C 13 58.494 0.038 . 1 . . . . . 49 SER CA . 50507 1 540 . 1 . 1 49 49 SER CB C 13 63.593 0.058 . 1 . . . . . 49 SER CB . 50507 1 541 . 1 . 1 49 49 SER N N 15 120.093 0.154 . 1 . . . . . 49 SER N . 50507 1 542 . 1 . 1 50 50 ARG H H 1 8.638 0.026 . 1 . . . . . 50 ARG H . 50507 1 543 . 1 . 1 50 50 ARG HA H 1 4.415 0.018 . 1 . . . . . 50 ARG HA . 50507 1 544 . 1 . 1 50 50 ARG HB2 H 1 1.838 0.015 . 2 . . . . . 50 ARG HB2 . 50507 1 545 . 1 . 1 50 50 ARG HB3 H 1 1.833 0.034 . 2 . . . . . 50 ARG HB3 . 50507 1 546 . 1 . 1 50 50 ARG HG2 H 1 1.598 0.019 . 1 . . . . . 50 ARG HG2 . 50507 1 547 . 1 . 1 50 50 ARG HG3 H 1 1.599 0.019 . 1 . . . . . 50 ARG HG3 . 50507 1 548 . 1 . 1 50 50 ARG HD2 H 1 3.133 0.034 . 1 . . . . . 50 ARG HD2 . 50507 1 549 . 1 . 1 50 50 ARG HD3 H 1 3.139 0.038 . 1 . . . . . 50 ARG HD3 . 50507 1 550 . 1 . 1 50 50 ARG C C 13 175.613 0.000 . 1 . . . . . 50 ARG C . 50507 1 551 . 1 . 1 50 50 ARG CA C 13 55.775 0.200 . 1 . . . . . 50 ARG CA . 50507 1 552 . 1 . 1 50 50 ARG CB C 13 32.030 0.166 . 1 . . . . . 50 ARG CB . 50507 1 553 . 1 . 1 50 50 ARG CG C 13 27.262 0.227 . 1 . . . . . 50 ARG CG . 50507 1 554 . 1 . 1 50 50 ARG CD C 13 43.337 0.153 . 1 . . . . . 50 ARG CD . 50507 1 555 . 1 . 1 50 50 ARG N N 15 123.192 0.137 . 1 . . . . . 50 ARG N . 50507 1 556 . 1 . 1 51 51 ARG H H 1 8.378 0.014 . 1 . . . . . 51 ARG H . 50507 1 557 . 1 . 1 51 51 ARG HA H 1 4.421 0.008 . 1 . . . . . 51 ARG HA . 50507 1 558 . 1 . 1 51 51 ARG HB2 H 1 1.728 0.021 . 2 . . . . . 51 ARG HB2 . 50507 1 559 . 1 . 1 51 51 ARG HB3 H 1 1.822 0.009 . 2 . . . . . 51 ARG HB3 . 50507 1 560 . 1 . 1 51 51 ARG HG2 H 1 1.591 0.016 . 1 . . . . . 51 ARG HG2 . 50507 1 561 . 1 . 1 51 51 ARG HG3 H 1 1.591 0.017 . 1 . . . . . 51 ARG HG3 . 50507 1 562 . 1 . 1 51 51 ARG HD2 H 1 3.116 0.008 . 2 . . . . . 51 ARG HD2 . 50507 1 563 . 1 . 1 51 51 ARG HD3 H 1 3.194 0.004 . 2 . . . . . 51 ARG HD3 . 50507 1 564 . 1 . 1 51 51 ARG C C 13 175.619 0.000 . 1 . . . . . 51 ARG C . 50507 1 565 . 1 . 1 51 51 ARG CA C 13 55.913 0.141 . 1 . . . . . 51 ARG CA . 50507 1 566 . 1 . 1 51 51 ARG CB C 13 31.680 0.152 . 1 . . . . . 51 ARG CB . 50507 1 567 . 1 . 1 51 51 ARG CG C 13 27.000 0.132 . 1 . . . . . 51 ARG CG . 50507 1 568 . 1 . 1 51 51 ARG CD C 13 43.442 0.039 . 1 . . . . . 51 ARG CD . 50507 1 569 . 1 . 1 51 51 ARG N N 15 121.580 0.051 . 1 . . . . . 51 ARG N . 50507 1 570 . 1 . 1 52 52 SER H H 1 8.373 0.013 . 1 . . . . . 52 SER H . 50507 1 571 . 1 . 1 52 52 SER HA H 1 4.728 0.010 . 1 . . . . . 52 SER HA . 50507 1 572 . 1 . 1 52 52 SER HB2 H 1 3.780 0.012 . 1 . . . . . 52 SER HB2 . 50507 1 573 . 1 . 1 52 52 SER HB3 H 1 3.779 0.014 . 1 . . . . . 52 SER HB3 . 50507 1 574 . 1 . 1 52 52 SER C C 13 173.584 0.000 . 1 . . . . . 52 SER C . 50507 1 575 . 1 . 1 52 52 SER CA C 13 57.665 0.088 . 1 . . . . . 52 SER CA . 50507 1 576 . 1 . 1 52 52 SER CB C 13 64.471 0.139 . 1 . . . . . 52 SER CB . 50507 1 577 . 1 . 1 52 52 SER N N 15 116.344 0.029 . 1 . . . . . 52 SER N . 50507 1 578 . 1 . 1 53 53 PHE H H 1 8.474 0.014 . 1 . . . . . 53 PHE H . 50507 1 579 . 1 . 1 53 53 PHE HA H 1 4.786 0.013 . 1 . . . . . 53 PHE HA . 50507 1 580 . 1 . 1 53 53 PHE HB2 H 1 3.040 0.012 . 2 . . . . . 53 PHE HB2 . 50507 1 581 . 1 . 1 53 53 PHE HB3 H 1 3.102 0.017 . 2 . . . . . 53 PHE HB3 . 50507 1 582 . 1 . 1 53 53 PHE HD1 H 1 7.161 0.004 . 1 . . . . . 53 PHE HD1 . 50507 1 583 . 1 . 1 53 53 PHE HD2 H 1 7.161 0.004 . 1 . . . . . 53 PHE HD2 . 50507 1 584 . 1 . 1 53 53 PHE C C 13 173.989 0.000 . 1 . . . . . 53 PHE C . 50507 1 585 . 1 . 1 53 53 PHE CA C 13 56.966 0.058 . 1 . . . . . 53 PHE CA . 50507 1 586 . 1 . 1 53 53 PHE CB C 13 40.612 0.048 . 1 . . . . . 53 PHE CB . 50507 1 587 . 1 . 1 53 53 PHE CD1 C 13 132.165 0.043 . 1 . . . . . 53 PHE CD1 . 50507 1 588 . 1 . 1 53 53 PHE CD2 C 13 132.165 0.043 . 1 . . . . . 53 PHE CD2 . 50507 1 589 . 1 . 1 53 53 PHE N N 15 121.237 0.161 . 1 . . . . . 53 PHE N . 50507 1 590 . 1 . 1 54 54 LYS H H 1 8.351 0.010 . 1 . . . . . 54 LYS H . 50507 1 591 . 1 . 1 54 54 LYS HA H 1 4.748 0.016 . 1 . . . . . 54 LYS HA . 50507 1 592 . 1 . 1 54 54 LYS HB2 H 1 1.646 0.017 . 2 . . . . . 54 LYS HB2 . 50507 1 593 . 1 . 1 54 54 LYS HB3 H 1 1.745 0.012 . 2 . . . . . 54 LYS HB3 . 50507 1 594 . 1 . 1 54 54 LYS HG2 H 1 1.343 0.017 . 1 . . . . . 54 LYS HG2 . 50507 1 595 . 1 . 1 54 54 LYS HG3 H 1 1.342 0.016 . 1 . . . . . 54 LYS HG3 . 50507 1 596 . 1 . 1 54 54 LYS HD2 H 1 1.635 0.013 . 1 . . . . . 54 LYS HD2 . 50507 1 597 . 1 . 1 54 54 LYS HD3 H 1 1.636 0.012 . 1 . . . . . 54 LYS HD3 . 50507 1 598 . 1 . 1 54 54 LYS HE2 H 1 2.942 0.008 . 1 . . . . . 54 LYS HE2 . 50507 1 599 . 1 . 1 54 54 LYS HE3 H 1 2.941 0.011 . 1 . . . . . 54 LYS HE3 . 50507 1 600 . 1 . 1 54 54 LYS C C 13 176.858 0.000 . 1 . . . . . 54 LYS C . 50507 1 601 . 1 . 1 54 54 LYS CA C 13 55.511 0.054 . 1 . . . . . 54 LYS CA . 50507 1 602 . 1 . 1 54 54 LYS CB C 13 33.666 0.137 . 1 . . . . . 54 LYS CB . 50507 1 603 . 1 . 1 54 54 LYS CG C 13 25.206 0.219 . 1 . . . . . 54 LYS CG . 50507 1 604 . 1 . 1 54 54 LYS CD C 13 29.623 0.258 . 1 . . . . . 54 LYS CD . 50507 1 605 . 1 . 1 54 54 LYS CE C 13 42.098 0.146 . 1 . . . . . 54 LYS CE . 50507 1 606 . 1 . 1 54 54 LYS N N 15 122.472 0.035 . 1 . . . . . 54 LYS N . 50507 1 607 . 1 . 1 55 55 THR H H 1 8.472 0.016 . 1 . . . . . 55 THR H . 50507 1 608 . 1 . 1 55 55 THR HA H 1 4.454 0.016 . 1 . . . . . 55 THR HA . 50507 1 609 . 1 . 1 55 55 THR HB H 1 4.503 0.016 . 1 . . . . . 55 THR HB . 50507 1 610 . 1 . 1 55 55 THR HG21 H 1 1.217 0.009 . 1 . . . . . 55 THR HG21 . 50507 1 611 . 1 . 1 55 55 THR HG22 H 1 1.217 0.009 . 1 . . . . . 55 THR HG22 . 50507 1 612 . 1 . 1 55 55 THR HG23 H 1 1.217 0.009 . 1 . . . . . 55 THR HG23 . 50507 1 613 . 1 . 1 55 55 THR C C 13 176.026 0.000 . 1 . . . . . 55 THR C . 50507 1 614 . 1 . 1 55 55 THR CA C 13 61.194 0.071 . 1 . . . . . 55 THR CA . 50507 1 615 . 1 . 1 55 55 THR CB C 13 70.431 0.095 . 1 . . . . . 55 THR CB . 50507 1 616 . 1 . 1 55 55 THR CG2 C 13 22.430 0.091 . 1 . . . . . 55 THR CG2 . 50507 1 617 . 1 . 1 55 55 THR N N 15 115.136 0.078 . 1 . . . . . 55 THR N . 50507 1 618 . 1 . 1 56 56 ALA H H 1 8.798 0.024 . 1 . . . . . 56 ALA H . 50507 1 619 . 1 . 1 56 56 ALA HA H 1 4.216 0.007 . 1 . . . . . 56 ALA HA . 50507 1 620 . 1 . 1 56 56 ALA HB1 H 1 1.440 0.017 . 1 . . . . . 56 ALA HB1 . 50507 1 621 . 1 . 1 56 56 ALA HB2 H 1 1.440 0.017 . 1 . . . . . 56 ALA HB2 . 50507 1 622 . 1 . 1 56 56 ALA HB3 H 1 1.440 0.017 . 1 . . . . . 56 ALA HB3 . 50507 1 623 . 1 . 1 56 56 ALA C C 13 177.911 0.000 . 1 . . . . . 56 ALA C . 50507 1 624 . 1 . 1 56 56 ALA CA C 13 54.139 0.087 . 1 . . . . . 56 ALA CA . 50507 1 625 . 1 . 1 56 56 ALA CB C 13 18.650 0.090 . 1 . . . . . 56 ALA CB . 50507 1 626 . 1 . 1 56 56 ALA N N 15 124.511 0.112 . 1 . . . . . 56 ALA N . 50507 1 627 . 1 . 1 57 57 ASP H H 1 8.087 0.011 . 1 . . . . . 57 ASP H . 50507 1 628 . 1 . 1 57 57 ASP HA H 1 4.575 0.006 . 1 . . . . . 57 ASP HA . 50507 1 629 . 1 . 1 57 57 ASP HB2 H 1 2.662 0.007 . 2 . . . . . 57 ASP HB2 . 50507 1 630 . 1 . 1 57 57 ASP HB3 H 1 2.804 0.012 . 2 . . . . . 57 ASP HB3 . 50507 1 631 . 1 . 1 57 57 ASP C C 13 176.726 0.000 . 1 . . . . . 57 ASP C . 50507 1 632 . 1 . 1 57 57 ASP CA C 13 53.604 0.132 . 1 . . . . . 57 ASP CA . 50507 1 633 . 1 . 1 57 57 ASP CB C 13 40.472 0.205 . 1 . . . . . 57 ASP CB . 50507 1 634 . 1 . 1 57 57 ASP N N 15 115.170 0.130 . 1 . . . . . 57 ASP N . 50507 1 635 . 1 . 1 58 58 GLY H H 1 8.124 0.005 . 1 . . . . . 58 GLY H . 50507 1 636 . 1 . 1 58 58 GLY HA2 H 1 4.117 0.016 . 2 . . . . . 58 GLY HA2 . 50507 1 637 . 1 . 1 58 58 GLY HA3 H 1 3.687 0.016 . 2 . . . . . 58 GLY HA3 . 50507 1 638 . 1 . 1 58 58 GLY C C 13 174.385 0.000 . 1 . . . . . 58 GLY C . 50507 1 639 . 1 . 1 58 58 GLY CA C 13 45.721 0.077 . 1 . . . . . 58 GLY CA . 50507 1 640 . 1 . 1 58 58 GLY N N 15 108.228 0.029 . 1 . . . . . 58 GLY N . 50507 1 641 . 1 . 1 59 59 GLN H H 1 7.859 0.013 . 1 . . . . . 59 GLN H . 50507 1 642 . 1 . 1 59 59 GLN HA H 1 4.341 0.008 . 1 . . . . . 59 GLN HA . 50507 1 643 . 1 . 1 59 59 GLN HB2 H 1 1.955 0.014 . 2 . . . . . 59 GLN HB2 . 50507 1 644 . 1 . 1 59 59 GLN HB3 H 1 2.061 0.018 . 2 . . . . . 59 GLN HB3 . 50507 1 645 . 1 . 1 59 59 GLN HG2 H 1 2.177 0.015 . 2 . . . . . 59 GLN HG2 . 50507 1 646 . 1 . 1 59 59 GLN HG3 H 1 2.312 0.014 . 2 . . . . . 59 GLN HG3 . 50507 1 647 . 1 . 1 59 59 GLN HE21 H 1 6.832 0.013 . 1 . . . . . 59 GLN HE21 . 50507 1 648 . 1 . 1 59 59 GLN HE22 H 1 7.682 0.002 . 1 . . . . . 59 GLN HE22 . 50507 1 649 . 1 . 1 59 59 GLN C C 13 175.339 0.000 . 1 . . . . . 59 GLN C . 50507 1 650 . 1 . 1 59 59 GLN CA C 13 55.499 0.085 . 1 . . . . . 59 GLN CA . 50507 1 651 . 1 . 1 59 59 GLN CB C 13 29.581 0.135 . 1 . . . . . 59 GLN CB . 50507 1 652 . 1 . 1 59 59 GLN CG C 13 33.874 0.107 . 1 . . . . . 59 GLN CG . 50507 1 653 . 1 . 1 59 59 GLN N N 15 119.337 0.021 . 1 . . . . . 59 GLN N . 50507 1 654 . 1 . 1 59 59 GLN NE2 N 15 113.243 0.026 . 1 . . . . . 59 GLN NE2 . 50507 1 655 . 1 . 1 60 60 GLN H H 1 8.506 0.014 . 1 . . . . . 60 GLN H . 50507 1 656 . 1 . 1 60 60 GLN HA H 1 4.499 0.012 . 1 . . . . . 60 GLN HA . 50507 1 657 . 1 . 1 60 60 GLN HB2 H 1 1.900 0.017 . 2 . . . . . 60 GLN HB2 . 50507 1 658 . 1 . 1 60 60 GLN HB3 H 1 2.000 0.018 . 2 . . . . . 60 GLN HB3 . 50507 1 659 . 1 . 1 60 60 GLN HG2 H 1 2.238 0.009 . 1 . . . . . 60 GLN HG2 . 50507 1 660 . 1 . 1 60 60 GLN HG3 H 1 2.238 0.009 . 1 . . . . . 60 GLN HG3 . 50507 1 661 . 1 . 1 60 60 GLN HE21 H 1 7.483 0.006 . 1 . . . . . 60 GLN HE21 . 50507 1 662 . 1 . 1 60 60 GLN HE22 H 1 6.812 0.003 . 1 . . . . . 60 GLN HE22 . 50507 1 663 . 1 . 1 60 60 GLN C C 13 175.549 0.000 . 1 . . . . . 60 GLN C . 50507 1 664 . 1 . 1 60 60 GLN CA C 13 55.591 0.077 . 1 . . . . . 60 GLN CA . 50507 1 665 . 1 . 1 60 60 GLN CB C 13 29.632 0.089 . 1 . . . . . 60 GLN CB . 50507 1 666 . 1 . 1 60 60 GLN CG C 13 33.829 0.056 . 1 . . . . . 60 GLN CG . 50507 1 667 . 1 . 1 60 60 GLN N N 15 121.064 0.031 . 1 . . . . . 60 GLN N . 50507 1 668 . 1 . 1 60 60 GLN NE2 N 15 111.873 0.036 . 1 . . . . . 60 GLN NE2 . 50507 1 669 . 1 . 1 61 61 LYS H H 1 8.625 0.017 . 1 . . . . . 61 LYS H . 50507 1 670 . 1 . 1 61 61 LYS HA H 1 4.393 0.019 . 1 . . . . . 61 LYS HA . 50507 1 671 . 1 . 1 61 61 LYS HB2 H 1 1.408 0.020 . 2 . . . . . 61 LYS HB2 . 50507 1 672 . 1 . 1 61 61 LYS HB3 H 1 1.606 0.012 . 2 . . . . . 61 LYS HB3 . 50507 1 673 . 1 . 1 61 61 LYS HG2 H 1 1.285 0.020 . 2 . . . . . 61 LYS HG2 . 50507 1 674 . 1 . 1 61 61 LYS HG3 H 1 1.347 0.021 . 2 . . . . . 61 LYS HG3 . 50507 1 675 . 1 . 1 61 61 LYS HD2 H 1 1.631 0.013 . 1 . . . . . 61 LYS HD2 . 50507 1 676 . 1 . 1 61 61 LYS HD3 H 1 1.631 0.013 . 1 . . . . . 61 LYS HD3 . 50507 1 677 . 1 . 1 61 61 LYS HE2 H 1 2.939 0.012 . 1 . . . . . 61 LYS HE2 . 50507 1 678 . 1 . 1 61 61 LYS HE3 H 1 2.939 0.009 . 1 . . . . . 61 LYS HE3 . 50507 1 679 . 1 . 1 61 61 LYS C C 13 175.364 0.000 . 1 . . . . . 61 LYS C . 50507 1 680 . 1 . 1 61 61 LYS CA C 13 55.455 0.176 . 1 . . . . . 61 LYS CA . 50507 1 681 . 1 . 1 61 61 LYS CB C 13 34.006 0.111 . 1 . . . . . 61 LYS CB . 50507 1 682 . 1 . 1 61 61 LYS CG C 13 24.742 0.186 . 1 . . . . . 61 LYS CG . 50507 1 683 . 1 . 1 61 61 LYS CD C 13 29.164 0.172 . 1 . . . . . 61 LYS CD . 50507 1 684 . 1 . 1 61 61 LYS CE C 13 42.158 0.175 . 1 . . . . . 61 LYS CE . 50507 1 685 . 1 . 1 61 61 LYS N N 15 124.676 0.112 . 1 . . . . . 61 LYS N . 50507 1 686 . 1 . 1 62 62 GLN H H 1 8.470 0.014 . 1 . . . . . 62 GLN H . 50507 1 687 . 1 . 1 62 62 GLN HA H 1 4.401 0.020 . 1 . . . . . 62 GLN HA . 50507 1 688 . 1 . 1 62 62 GLN HB2 H 1 1.930 0.012 . 2 . . . . . 62 GLN HB2 . 50507 1 689 . 1 . 1 62 62 GLN HB3 H 1 2.028 0.008 . 2 . . . . . 62 GLN HB3 . 50507 1 690 . 1 . 1 62 62 GLN HG2 H 1 2.319 0.012 . 1 . . . . . 62 GLN HG2 . 50507 1 691 . 1 . 1 62 62 GLN HG3 H 1 2.318 0.013 . 1 . . . . . 62 GLN HG3 . 50507 1 692 . 1 . 1 62 62 GLN HE21 H 1 7.563 0.016 . 1 . . . . . 62 GLN HE21 . 50507 1 693 . 1 . 1 62 62 GLN HE22 H 1 6.852 0.010 . 1 . . . . . 62 GLN HE22 . 50507 1 694 . 1 . 1 62 62 GLN C C 13 175.559 0.000 . 1 . . . . . 62 GLN C . 50507 1 695 . 1 . 1 62 62 GLN CA C 13 55.638 0.133 . 1 . . . . . 62 GLN CA . 50507 1 696 . 1 . 1 62 62 GLN CB C 13 29.595 0.049 . 1 . . . . . 62 GLN CB . 50507 1 697 . 1 . 1 62 62 GLN CG C 13 33.840 0.070 . 1 . . . . . 62 GLN CG . 50507 1 698 . 1 . 1 62 62 GLN N N 15 121.917 0.096 . 1 . . . . . 62 GLN N . 50507 1 699 . 1 . 1 62 62 GLN NE2 N 15 112.538 0.179 . 1 . . . . . 62 GLN NE2 . 50507 1 700 . 1 . 1 63 63 LEU H H 1 8.342 0.008 . 1 . . . . . 63 LEU H . 50507 1 701 . 1 . 1 63 63 LEU HA H 1 4.546 0.016 . 1 . . . . . 63 LEU HA . 50507 1 702 . 1 . 1 63 63 LEU HB2 H 1 1.601 0.013 . 2 . . . . . 63 LEU HB2 . 50507 1 703 . 1 . 1 63 63 LEU HB3 H 1 1.526 0.041 . 2 . . . . . 63 LEU HB3 . 50507 1 704 . 1 . 1 63 63 LEU HG H 1 1.632 0.012 . 1 . . . . . 63 LEU HG . 50507 1 705 . 1 . 1 63 63 LEU HD11 H 1 0.863 0.017 . 2 . . . . . 63 LEU HD11 . 50507 1 706 . 1 . 1 63 63 LEU HD12 H 1 0.863 0.017 . 2 . . . . . 63 LEU HD12 . 50507 1 707 . 1 . 1 63 63 LEU HD13 H 1 0.863 0.017 . 2 . . . . . 63 LEU HD13 . 50507 1 708 . 1 . 1 63 63 LEU HD21 H 1 0.862 0.012 . 2 . . . . . 63 LEU HD21 . 50507 1 709 . 1 . 1 63 63 LEU HD22 H 1 0.862 0.012 . 2 . . . . . 63 LEU HD22 . 50507 1 710 . 1 . 1 63 63 LEU HD23 H 1 0.862 0.012 . 2 . . . . . 63 LEU HD23 . 50507 1 711 . 1 . 1 63 63 LEU C C 13 176.899 0.000 . 1 . . . . . 63 LEU C . 50507 1 712 . 1 . 1 63 63 LEU CA C 13 53.725 0.334 . 1 . . . . . 63 LEU CA . 50507 1 713 . 1 . 1 63 63 LEU CB C 13 43.274 0.048 . 1 . . . . . 63 LEU CB . 50507 1 714 . 1 . 1 63 63 LEU CG C 13 26.986 0.018 . 1 . . . . . 63 LEU CG . 50507 1 715 . 1 . 1 63 63 LEU CD1 C 13 25.629 0.000 . 2 . . . . . 63 LEU CD1 . 50507 1 716 . 1 . 1 63 63 LEU CD2 C 13 23.044 0.000 . 2 . . . . . 63 LEU CD2 . 50507 1 717 . 1 . 1 63 63 LEU N N 15 124.993 0.047 . 1 . . . . . 63 LEU N . 50507 1 718 . 1 . 1 64 64 LEU H H 1 8.403 0.018 . 1 . . . . . 64 LEU H . 50507 1 719 . 1 . 1 64 64 LEU HA H 1 4.542 0.018 . 1 . . . . . 64 LEU HA . 50507 1 720 . 1 . 1 64 64 LEU HB2 H 1 1.733 0.016 . 2 . . . . . 64 LEU HB2 . 50507 1 721 . 1 . 1 64 64 LEU HB3 H 1 1.487 0.018 . 2 . . . . . 64 LEU HB3 . 50507 1 722 . 1 . 1 64 64 LEU HG H 1 1.728 0.009 . 1 . . . . . 64 LEU HG . 50507 1 723 . 1 . 1 64 64 LEU HD11 H 1 0.848 0.023 . 2 . . . . . 64 LEU HD11 . 50507 1 724 . 1 . 1 64 64 LEU HD12 H 1 0.848 0.023 . 2 . . . . . 64 LEU HD12 . 50507 1 725 . 1 . 1 64 64 LEU HD13 H 1 0.848 0.023 . 2 . . . . . 64 LEU HD13 . 50507 1 726 . 1 . 1 64 64 LEU HD21 H 1 0.668 0.015 . 2 . . . . . 64 LEU HD21 . 50507 1 727 . 1 . 1 64 64 LEU HD22 H 1 0.668 0.015 . 2 . . . . . 64 LEU HD22 . 50507 1 728 . 1 . 1 64 64 LEU HD23 H 1 0.668 0.015 . 2 . . . . . 64 LEU HD23 . 50507 1 729 . 1 . 1 64 64 LEU CA C 13 53.654 0.250 . 1 . . . . . 64 LEU CA . 50507 1 730 . 1 . 1 64 64 LEU CB C 13 40.210 0.188 . 1 . . . . . 64 LEU CB . 50507 1 731 . 1 . 1 64 64 LEU CG C 13 27.158 0.090 . 1 . . . . . 64 LEU CG . 50507 1 732 . 1 . 1 64 64 LEU CD1 C 13 22.535 0.000 . 2 . . . . . 64 LEU CD1 . 50507 1 733 . 1 . 1 64 64 LEU CD2 C 13 25.540 0.000 . 2 . . . . . 64 LEU CD2 . 50507 1 734 . 1 . 1 64 64 LEU N N 15 123.594 0.029 . 1 . . . . . 64 LEU N . 50507 1 735 . 1 . 1 65 65 PRO HA H 1 4.523 0.012 . 1 . . . . . 65 PRO HA . 50507 1 736 . 1 . 1 65 65 PRO HB2 H 1 2.069 0.006 . 2 . . . . . 65 PRO HB2 . 50507 1 737 . 1 . 1 65 65 PRO HB3 H 1 1.701 0.018 . 2 . . . . . 65 PRO HB3 . 50507 1 738 . 1 . 1 65 65 PRO HG2 H 1 2.116 0.011 . 1 . . . . . 65 PRO HG2 . 50507 1 739 . 1 . 1 65 65 PRO HG3 H 1 2.114 0.011 . 1 . . . . . 65 PRO HG3 . 50507 1 740 . 1 . 1 65 65 PRO HD2 H 1 3.872 0.020 . 1 . . . . . 65 PRO HD2 . 50507 1 741 . 1 . 1 65 65 PRO HD3 H 1 3.872 0.020 . 1 . . . . . 65 PRO HD3 . 50507 1 742 . 1 . 1 65 65 PRO C C 13 173.912 0.000 . 1 . . . . . 65 PRO C . 50507 1 743 . 1 . 1 65 65 PRO CA C 13 63.871 0.090 . 1 . . . . . 65 PRO CA . 50507 1 744 . 1 . 1 65 65 PRO CB C 13 33.576 0.072 . 1 . . . . . 65 PRO CB . 50507 1 745 . 1 . 1 65 65 PRO CG C 13 27.685 0.203 . 1 . . . . . 65 PRO CG . 50507 1 746 . 1 . 1 65 65 PRO CD C 13 50.755 0.092 . 1 . . . . . 65 PRO CD . 50507 1 747 . 1 . 1 66 66 ARG H H 1 7.924 0.005 . 1 . . . . . 66 ARG H . 50507 1 748 . 1 . 1 66 66 ARG HA H 1 5.305 0.010 . 1 . . . . . 66 ARG HA . 50507 1 749 . 1 . 1 66 66 ARG HB2 H 1 1.598 0.012 . 2 . . . . . 66 ARG HB2 . 50507 1 750 . 1 . 1 66 66 ARG HB3 H 1 1.768 0.020 . 2 . . . . . 66 ARG HB3 . 50507 1 751 . 1 . 1 66 66 ARG HG2 H 1 1.345 0.016 . 2 . . . . . 66 ARG HG2 . 50507 1 752 . 1 . 1 66 66 ARG HG3 H 1 1.527 0.021 . 2 . . . . . 66 ARG HG3 . 50507 1 753 . 1 . 1 66 66 ARG HD2 H 1 3.272 0.018 . 2 . . . . . 66 ARG HD2 . 50507 1 754 . 1 . 1 66 66 ARG HD3 H 1 3.058 0.014 . 2 . . . . . 66 ARG HD3 . 50507 1 755 . 1 . 1 66 66 ARG C C 13 173.617 0.000 . 1 . . . . . 66 ARG C . 50507 1 756 . 1 . 1 66 66 ARG CA C 13 54.322 0.073 . 1 . . . . . 66 ARG CA . 50507 1 757 . 1 . 1 66 66 ARG CB C 13 35.357 0.059 . 1 . . . . . 66 ARG CB . 50507 1 758 . 1 . 1 66 66 ARG CG C 13 26.859 0.404 . 1 . . . . . 66 ARG CG . 50507 1 759 . 1 . 1 66 66 ARG CD C 13 44.475 0.246 . 1 . . . . . 66 ARG CD . 50507 1 760 . 1 . 1 66 66 ARG N N 15 118.417 0.038 . 1 . . . . . 66 ARG N . 50507 1 761 . 1 . 1 67 67 TRP H H 1 9.701 0.007 . 1 . . . . . 67 TRP H . 50507 1 762 . 1 . 1 67 67 TRP HA H 1 5.593 0.013 . 1 . . . . . 67 TRP HA . 50507 1 763 . 1 . 1 67 67 TRP HB2 H 1 2.672 0.015 . 2 . . . . . 67 TRP HB2 . 50507 1 764 . 1 . 1 67 67 TRP HB3 H 1 2.909 0.027 . 2 . . . . . 67 TRP HB3 . 50507 1 765 . 1 . 1 67 67 TRP HD1 H 1 6.789 0.013 . 1 . . . . . 67 TRP HD1 . 50507 1 766 . 1 . 1 67 67 TRP HE1 H 1 10.321 0.007 . 1 . . . . . 67 TRP HE1 . 50507 1 767 . 1 . 1 67 67 TRP HZ2 H 1 7.233 0.005 . 1 . . . . . 67 TRP HZ2 . 50507 1 768 . 1 . 1 67 67 TRP HH2 H 1 7.130 0.001 . 1 . . . . . 67 TRP HH2 . 50507 1 769 . 1 . 1 67 67 TRP C C 13 175.897 0.000 . 1 . . . . . 67 TRP C . 50507 1 770 . 1 . 1 67 67 TRP CA C 13 55.617 0.210 . 1 . . . . . 67 TRP CA . 50507 1 771 . 1 . 1 67 67 TRP CB C 13 31.134 0.154 . 1 . . . . . 67 TRP CB . 50507 1 772 . 1 . 1 67 67 TRP CD1 C 13 123.655 0.000 . 1 . . . . . 67 TRP CD1 . 50507 1 773 . 1 . 1 67 67 TRP CZ2 C 13 114.660 0.018 . 1 . . . . . 67 TRP CZ2 . 50507 1 774 . 1 . 1 67 67 TRP CH2 C 13 125.115 0.075 . 1 . . . . . 67 TRP CH2 . 50507 1 775 . 1 . 1 67 67 TRP N N 15 125.901 0.091 . 1 . . . . . 67 TRP N . 50507 1 776 . 1 . 1 67 67 TRP NE1 N 15 128.112 0.055 . 1 . . . . . 67 TRP NE1 . 50507 1 777 . 1 . 1 68 68 TYR H H 1 9.487 0.006 . 1 . . . . . 68 TYR H . 50507 1 778 . 1 . 1 68 68 TYR HA H 1 5.684 0.004 . 1 . . . . . 68 TYR HA . 50507 1 779 . 1 . 1 68 68 TYR HB2 H 1 2.816 0.015 . 2 . . . . . 68 TYR HB2 . 50507 1 780 . 1 . 1 68 68 TYR HB3 H 1 2.933 0.009 . 2 . . . . . 68 TYR HB3 . 50507 1 781 . 1 . 1 68 68 TYR HD1 H 1 6.484 0.011 . 1 . . . . . 68 TYR HD1 . 50507 1 782 . 1 . 1 68 68 TYR HD2 H 1 6.484 0.011 . 1 . . . . . 68 TYR HD2 . 50507 1 783 . 1 . 1 68 68 TYR HE1 H 1 6.772 0.006 . 1 . . . . . 68 TYR HE1 . 50507 1 784 . 1 . 1 68 68 TYR HE2 H 1 6.772 0.006 . 1 . . . . . 68 TYR HE2 . 50507 1 785 . 1 . 1 68 68 TYR C C 13 175.010 0.000 . 1 . . . . . 68 TYR C . 50507 1 786 . 1 . 1 68 68 TYR CA C 13 56.818 0.075 . 1 . . . . . 68 TYR CA . 50507 1 787 . 1 . 1 68 68 TYR CB C 13 43.807 0.059 . 1 . . . . . 68 TYR CB . 50507 1 788 . 1 . 1 68 68 TYR CD1 C 13 131.623 0.000 . 1 . . . . . 68 TYR CD1 . 50507 1 789 . 1 . 1 68 68 TYR CD2 C 13 131.623 0.000 . 1 . . . . . 68 TYR CD2 . 50507 1 790 . 1 . 1 68 68 TYR CE1 C 13 117.735 0.004 . 1 . . . . . 68 TYR CE1 . 50507 1 791 . 1 . 1 68 68 TYR CE2 C 13 117.735 0.004 . 1 . . . . . 68 TYR CE2 . 50507 1 792 . 1 . 1 68 68 TYR N N 15 119.102 0.071 . 1 . . . . . 68 TYR N . 50507 1 793 . 1 . 1 69 69 PHE H H 1 9.163 0.007 . 1 . . . . . 69 PHE H . 50507 1 794 . 1 . 1 69 69 PHE HA H 1 4.062 0.017 . 1 . . . . . 69 PHE HA . 50507 1 795 . 1 . 1 69 69 PHE HB2 H 1 3.254 0.000 . 2 . . . . . 69 PHE HB2 . 50507 1 796 . 1 . 1 69 69 PHE HB3 H 1 1.702 0.015 . 2 . . . . . 69 PHE HB3 . 50507 1 797 . 1 . 1 69 69 PHE HD1 H 1 7.388 0.001 . 1 . . . . . 69 PHE HD1 . 50507 1 798 . 1 . 1 69 69 PHE HD2 H 1 7.388 0.001 . 1 . . . . . 69 PHE HD2 . 50507 1 799 . 1 . 1 69 69 PHE C C 13 175.017 0.000 . 1 . . . . . 69 PHE C . 50507 1 800 . 1 . 1 69 69 PHE CA C 13 57.039 0.030 . 1 . . . . . 69 PHE CA . 50507 1 801 . 1 . 1 69 69 PHE CB C 13 38.878 0.075 . 1 . . . . . 69 PHE CB . 50507 1 802 . 1 . 1 69 69 PHE CD1 C 13 130.774 0.000 . 1 . . . . . 69 PHE CD1 . 50507 1 803 . 1 . 1 69 69 PHE CD2 C 13 130.774 0.000 . 1 . . . . . 69 PHE CD2 . 50507 1 804 . 1 . 1 69 69 PHE N N 15 123.234 0.043 . 1 . . . . . 69 PHE N . 50507 1 805 . 1 . 1 70 70 TYR H H 1 8.059 0.005 . 1 . . . . . 70 TYR H . 50507 1 806 . 1 . 1 70 70 TYR HA H 1 3.722 0.014 . 1 . . . . . 70 TYR HA . 50507 1 807 . 1 . 1 70 70 TYR HB2 H 1 2.497 0.012 . 2 . . . . . 70 TYR HB2 . 50507 1 808 . 1 . 1 70 70 TYR HB3 H 1 1.000 0.004 . 2 . . . . . 70 TYR HB3 . 50507 1 809 . 1 . 1 70 70 TYR HD1 H 1 6.763 0.016 . 1 . . . . . 70 TYR HD1 . 50507 1 810 . 1 . 1 70 70 TYR HD2 H 1 6.763 0.016 . 1 . . . . . 70 TYR HD2 . 50507 1 811 . 1 . 1 70 70 TYR HE1 H 1 6.522 0.023 . 1 . . . . . 70 TYR HE1 . 50507 1 812 . 1 . 1 70 70 TYR HE2 H 1 6.522 0.023 . 1 . . . . . 70 TYR HE2 . 50507 1 813 . 1 . 1 70 70 TYR C C 13 172.125 0.000 . 1 . . . . . 70 TYR C . 50507 1 814 . 1 . 1 70 70 TYR CA C 13 57.268 0.059 . 1 . . . . . 70 TYR CA . 50507 1 815 . 1 . 1 70 70 TYR CB C 13 40.091 0.003 . 1 . . . . . 70 TYR CB . 50507 1 816 . 1 . 1 70 70 TYR CD1 C 13 134.057 0.016 . 1 . . . . . 70 TYR CD1 . 50507 1 817 . 1 . 1 70 70 TYR CD2 C 13 134.057 0.016 . 1 . . . . . 70 TYR CD2 . 50507 1 818 . 1 . 1 70 70 TYR CE1 C 13 117.346 0.029 . 1 . . . . . 70 TYR CE1 . 50507 1 819 . 1 . 1 70 70 TYR CE2 C 13 117.346 0.029 . 1 . . . . . 70 TYR CE2 . 50507 1 820 . 1 . 1 70 70 TYR N N 15 128.377 0.077 . 1 . . . . . 70 TYR N . 50507 1 821 . 1 . 1 71 71 TYR H H 1 6.869 0.010 . 1 . . . . . 71 TYR H . 50507 1 822 . 1 . 1 71 71 TYR HA H 1 4.565 0.010 . 1 . . . . . 71 TYR HA . 50507 1 823 . 1 . 1 71 71 TYR HB2 H 1 2.703 0.018 . 2 . . . . . 71 TYR HB2 . 50507 1 824 . 1 . 1 71 71 TYR HB3 H 1 3.514 0.014 . 2 . . . . . 71 TYR HB3 . 50507 1 825 . 1 . 1 71 71 TYR HD1 H 1 7.734 0.013 . 1 . . . . . 71 TYR HD1 . 50507 1 826 . 1 . 1 71 71 TYR HD2 H 1 7.734 0.013 . 1 . . . . . 71 TYR HD2 . 50507 1 827 . 1 . 1 71 71 TYR HE1 H 1 6.826 0.017 . 1 . . . . . 71 TYR HE1 . 50507 1 828 . 1 . 1 71 71 TYR HE2 H 1 6.826 0.017 . 1 . . . . . 71 TYR HE2 . 50507 1 829 . 1 . 1 71 71 TYR C C 13 177.167 0.000 . 1 . . . . . 71 TYR C . 50507 1 830 . 1 . 1 71 71 TYR CA C 13 59.702 0.081 . 1 . . . . . 71 TYR CA . 50507 1 831 . 1 . 1 71 71 TYR CB C 13 39.011 0.080 . 1 . . . . . 71 TYR CB . 50507 1 832 . 1 . 1 71 71 TYR CD1 C 13 133.635 0.084 . 1 . . . . . 71 TYR CD1 . 50507 1 833 . 1 . 1 71 71 TYR CD2 C 13 133.635 0.084 . 1 . . . . . 71 TYR CD2 . 50507 1 834 . 1 . 1 71 71 TYR CE1 C 13 118.326 0.144 . 1 . . . . . 71 TYR CE1 . 50507 1 835 . 1 . 1 71 71 TYR CE2 C 13 118.326 0.144 . 1 . . . . . 71 TYR CE2 . 50507 1 836 . 1 . 1 71 71 TYR N N 15 117.556 0.047 . 1 . . . . . 71 TYR N . 50507 1 837 . 1 . 1 72 72 LEU H H 1 8.934 0.007 . 1 . . . . . 72 LEU H . 50507 1 838 . 1 . 1 72 72 LEU HA H 1 4.500 0.015 . 1 . . . . . 72 LEU HA . 50507 1 839 . 1 . 1 72 72 LEU HB2 H 1 2.192 0.015 . 1 . . . . . 72 LEU HB2 . 50507 1 840 . 1 . 1 72 72 LEU HB3 H 1 2.183 0.010 . 1 . . . . . 72 LEU HB3 . 50507 1 841 . 1 . 1 72 72 LEU HG H 1 1.495 0.016 . 1 . . . . . 72 LEU HG . 50507 1 842 . 1 . 1 72 72 LEU HD11 H 1 1.452 0.011 . 1 . . . . . 72 LEU HD11 . 50507 1 843 . 1 . 1 72 72 LEU HD12 H 1 1.452 0.011 . 1 . . . . . 72 LEU HD12 . 50507 1 844 . 1 . 1 72 72 LEU HD13 H 1 1.452 0.011 . 1 . . . . . 72 LEU HD13 . 50507 1 845 . 1 . 1 72 72 LEU HD21 H 1 1.448 0.017 . 1 . . . . . 72 LEU HD21 . 50507 1 846 . 1 . 1 72 72 LEU HD22 H 1 1.448 0.017 . 1 . . . . . 72 LEU HD22 . 50507 1 847 . 1 . 1 72 72 LEU HD23 H 1 1.448 0.017 . 1 . . . . . 72 LEU HD23 . 50507 1 848 . 1 . 1 72 72 LEU C C 13 177.365 0.000 . 1 . . . . . 72 LEU C . 50507 1 849 . 1 . 1 72 72 LEU CA C 13 57.101 0.239 . 1 . . . . . 72 LEU CA . 50507 1 850 . 1 . 1 72 72 LEU CB C 13 43.980 0.047 . 1 . . . . . 72 LEU CB . 50507 1 851 . 1 . 1 72 72 LEU CG C 13 27.306 0.253 . 1 . . . . . 72 LEU CG . 50507 1 852 . 1 . 1 72 72 LEU CD1 C 13 25.713 0.000 . 1 . . . . . 72 LEU CD1 . 50507 1 853 . 1 . 1 72 72 LEU CD2 C 13 25.713 0.000 . 1 . . . . . 72 LEU CD2 . 50507 1 854 . 1 . 1 72 72 LEU N N 15 125.259 0.035 . 1 . . . . . 72 LEU N . 50507 1 855 . 1 . 1 73 73 GLY H H 1 9.909 0.007 . 1 . . . . . 73 GLY H . 50507 1 856 . 1 . 1 73 73 GLY HA2 H 1 4.539 0.018 . 2 . . . . . 73 GLY HA2 . 50507 1 857 . 1 . 1 73 73 GLY HA3 H 1 4.648 0.013 . 2 . . . . . 73 GLY HA3 . 50507 1 858 . 1 . 1 73 73 GLY C C 13 173.878 0.000 . 1 . . . . . 73 GLY C . 50507 1 859 . 1 . 1 73 73 GLY CA C 13 45.213 0.049 . 1 . . . . . 73 GLY CA . 50507 1 860 . 1 . 1 73 73 GLY N N 15 115.552 0.042 . 1 . . . . . 73 GLY N . 50507 1 861 . 1 . 1 74 74 THR H H 1 8.331 0.007 . 1 . . . . . 74 THR H . 50507 1 862 . 1 . 1 74 74 THR HA H 1 5.079 0.010 . 1 . . . . . 74 THR HA . 50507 1 863 . 1 . 1 74 74 THR HB H 1 4.411 0.018 . 1 . . . . . 74 THR HB . 50507 1 864 . 1 . 1 74 74 THR HG21 H 1 1.281 0.007 . 1 . . . . . 74 THR HG21 . 50507 1 865 . 1 . 1 74 74 THR HG22 H 1 1.281 0.007 . 1 . . . . . 74 THR HG22 . 50507 1 866 . 1 . 1 74 74 THR HG23 H 1 1.281 0.007 . 1 . . . . . 74 THR HG23 . 50507 1 867 . 1 . 1 74 74 THR C C 13 174.683 0.000 . 1 . . . . . 74 THR C . 50507 1 868 . 1 . 1 74 74 THR CA C 13 59.942 0.071 . 1 . . . . . 74 THR CA . 50507 1 869 . 1 . 1 74 74 THR CB C 13 73.458 0.125 . 1 . . . . . 74 THR CB . 50507 1 870 . 1 . 1 74 74 THR CG2 C 13 20.500 0.000 . 1 . . . . . 74 THR CG2 . 50507 1 871 . 1 . 1 74 74 THR N N 15 110.360 0.031 . 1 . . . . . 74 THR N . 50507 1 872 . 1 . 1 75 75 GLY H H 1 8.985 0.011 . 1 . . . . . 75 GLY H . 50507 1 873 . 1 . 1 75 75 GLY HA2 H 1 3.354 0.011 . 2 . . . . . 75 GLY HA2 . 50507 1 874 . 1 . 1 75 75 GLY HA3 H 1 2.945 0.009 . 2 . . . . . 75 GLY HA3 . 50507 1 875 . 1 . 1 75 75 GLY CA C 13 45.748 0.108 . 1 . . . . . 75 GLY CA . 50507 1 876 . 1 . 1 75 75 GLY N N 15 106.880 0.052 . 1 . . . . . 75 GLY N . 50507 1 877 . 1 . 1 76 76 PRO HA H 1 3.342 0.011 . 1 . . . . . 76 PRO HA . 50507 1 878 . 1 . 1 76 76 PRO HB2 H 1 0.712 0.011 . 2 . . . . . 76 PRO HB2 . 50507 1 879 . 1 . 1 76 76 PRO HB3 H 1 1.511 0.008 . 2 . . . . . 76 PRO HB3 . 50507 1 880 . 1 . 1 76 76 PRO HG2 H 1 0.590 0.008 . 2 . . . . . 76 PRO HG2 . 50507 1 881 . 1 . 1 76 76 PRO HG3 H 1 0.673 0.010 . 2 . . . . . 76 PRO HG3 . 50507 1 882 . 1 . 1 76 76 PRO HD2 H 1 2.134 0.015 . 2 . . . . . 76 PRO HD2 . 50507 1 883 . 1 . 1 76 76 PRO HD3 H 1 1.741 0.015 . 2 . . . . . 76 PRO HD3 . 50507 1 884 . 1 . 1 76 76 PRO C C 13 176.659 0.000 . 1 . . . . . 76 PRO C . 50507 1 885 . 1 . 1 76 76 PRO CA C 13 64.056 0.049 . 1 . . . . . 76 PRO CA . 50507 1 886 . 1 . 1 76 76 PRO CB C 13 31.464 0.049 . 1 . . . . . 76 PRO CB . 50507 1 887 . 1 . 1 76 76 PRO CG C 13 25.791 0.168 . 1 . . . . . 76 PRO CG . 50507 1 888 . 1 . 1 76 76 PRO CD C 13 47.671 0.079 . 1 . . . . . 76 PRO CD . 50507 1 889 . 1 . 1 77 77 TYR H H 1 7.721 0.005 . 1 . . . . . 77 TYR H . 50507 1 890 . 1 . 1 77 77 TYR HA H 1 4.860 0.014 . 1 . . . . . 77 TYR HA . 50507 1 891 . 1 . 1 77 77 TYR HB2 H 1 2.967 0.017 . 2 . . . . . 77 TYR HB2 . 50507 1 892 . 1 . 1 77 77 TYR HB3 H 1 1.559 0.019 . 2 . . . . . 77 TYR HB3 . 50507 1 893 . 1 . 1 77 77 TYR HD1 H 1 6.728 0.016 . 1 . . . . . 77 TYR HD1 . 50507 1 894 . 1 . 1 77 77 TYR HD2 H 1 6.728 0.016 . 1 . . . . . 77 TYR HD2 . 50507 1 895 . 1 . 1 77 77 TYR C C 13 176.359 0.000 . 1 . . . . . 77 TYR C . 50507 1 896 . 1 . 1 77 77 TYR CA C 13 56.053 0.051 . 1 . . . . . 77 TYR CA . 50507 1 897 . 1 . 1 77 77 TYR CB C 13 36.058 0.103 . 1 . . . . . 77 TYR CB . 50507 1 898 . 1 . 1 77 77 TYR N N 15 115.775 0.042 . 1 . . . . . 77 TYR N . 50507 1 899 . 1 . 1 78 78 ALA H H 1 6.764 0.009 . 1 . . . . . 78 ALA H . 50507 1 900 . 1 . 1 78 78 ALA HA H 1 3.704 0.007 . 1 . . . . . 78 ALA HA . 50507 1 901 . 1 . 1 78 78 ALA HB1 H 1 1.271 0.009 . 1 . . . . . 78 ALA HB1 . 50507 1 902 . 1 . 1 78 78 ALA HB2 H 1 1.271 0.009 . 1 . . . . . 78 ALA HB2 . 50507 1 903 . 1 . 1 78 78 ALA HB3 H 1 1.271 0.009 . 1 . . . . . 78 ALA HB3 . 50507 1 904 . 1 . 1 78 78 ALA C C 13 176.673 0.000 . 1 . . . . . 78 ALA C . 50507 1 905 . 1 . 1 78 78 ALA CA C 13 55.479 0.074 . 1 . . . . . 78 ALA CA . 50507 1 906 . 1 . 1 78 78 ALA CB C 13 18.877 0.074 . 1 . . . . . 78 ALA CB . 50507 1 907 . 1 . 1 78 78 ALA N N 15 122.728 0.025 . 1 . . . . . 78 ALA N . 50507 1 908 . 1 . 1 79 79 ASN H H 1 8.234 0.006 . 1 . . . . . 79 ASN H . 50507 1 909 . 1 . 1 79 79 ASN HA H 1 4.752 0.008 . 1 . . . . . 79 ASN HA . 50507 1 910 . 1 . 1 79 79 ASN HB2 H 1 2.710 0.013 . 2 . . . . . 79 ASN HB2 . 50507 1 911 . 1 . 1 79 79 ASN HB3 H 1 2.867 0.012 . 2 . . . . . 79 ASN HB3 . 50507 1 912 . 1 . 1 79 79 ASN HD21 H 1 7.571 0.014 . 1 . . . . . 79 ASN HD21 . 50507 1 913 . 1 . 1 79 79 ASN HD22 H 1 6.886 0.017 . 1 . . . . . 79 ASN HD22 . 50507 1 914 . 1 . 1 79 79 ASN C C 13 175.036 0.000 . 1 . . . . . 79 ASN C . 50507 1 915 . 1 . 1 79 79 ASN CA C 13 52.656 0.114 . 1 . . . . . 79 ASN CA . 50507 1 916 . 1 . 1 79 79 ASN CB C 13 38.604 0.157 . 1 . . . . . 79 ASN CB . 50507 1 917 . 1 . 1 79 79 ASN N N 15 109.720 0.033 . 1 . . . . . 79 ASN N . 50507 1 918 . 1 . 1 79 79 ASN ND2 N 15 112.685 0.225 . 1 . . . . . 79 ASN ND2 . 50507 1 919 . 1 . 1 80 80 ALA H H 1 7.453 0.005 . 1 . . . . . 80 ALA H . 50507 1 920 . 1 . 1 80 80 ALA HA H 1 4.454 0.013 . 1 . . . . . 80 ALA HA . 50507 1 921 . 1 . 1 80 80 ALA HB1 H 1 1.503 0.015 . 1 . . . . . 80 ALA HB1 . 50507 1 922 . 1 . 1 80 80 ALA HB2 H 1 1.503 0.015 . 1 . . . . . 80 ALA HB2 . 50507 1 923 . 1 . 1 80 80 ALA HB3 H 1 1.503 0.015 . 1 . . . . . 80 ALA HB3 . 50507 1 924 . 1 . 1 80 80 ALA C C 13 177.102 0.000 . 1 . . . . . 80 ALA C . 50507 1 925 . 1 . 1 80 80 ALA CA C 13 51.819 0.068 . 1 . . . . . 80 ALA CA . 50507 1 926 . 1 . 1 80 80 ALA CB C 13 20.241 0.061 . 1 . . . . . 80 ALA CB . 50507 1 927 . 1 . 1 80 80 ALA N N 15 123.509 0.038 . 1 . . . . . 80 ALA N . 50507 1 928 . 1 . 1 81 81 SER H H 1 8.759 0.012 . 1 . . . . . 81 SER H . 50507 1 929 . 1 . 1 81 81 SER HA H 1 4.254 0.016 . 1 . . . . . 81 SER HA . 50507 1 930 . 1 . 1 81 81 SER HB2 H 1 3.615 0.008 . 2 . . . . . 81 SER HB2 . 50507 1 931 . 1 . 1 81 81 SER HB3 H 1 3.747 0.010 . 2 . . . . . 81 SER HB3 . 50507 1 932 . 1 . 1 81 81 SER C C 13 171.568 0.000 . 1 . . . . . 81 SER C . 50507 1 933 . 1 . 1 81 81 SER CA C 13 57.499 0.081 . 1 . . . . . 81 SER CA . 50507 1 934 . 1 . 1 81 81 SER CB C 13 64.084 0.058 . 1 . . . . . 81 SER CB . 50507 1 935 . 1 . 1 81 81 SER N N 15 118.439 0.032 . 1 . . . . . 81 SER N . 50507 1 936 . 1 . 1 82 82 TYR H H 1 8.493 0.006 . 1 . . . . . 82 TYR H . 50507 1 937 . 1 . 1 82 82 TYR HA H 1 1.776 0.008 . 1 . . . . . 82 TYR HA . 50507 1 938 . 1 . 1 82 82 TYR HB2 H 1 2.509 0.011 . 2 . . . . . 82 TYR HB2 . 50507 1 939 . 1 . 1 82 82 TYR HB3 H 1 2.801 0.011 . 2 . . . . . 82 TYR HB3 . 50507 1 940 . 1 . 1 82 82 TYR CA C 13 59.784 0.029 . 1 . . . . . 82 TYR CA . 50507 1 941 . 1 . 1 82 82 TYR CB C 13 38.712 0.116 . 1 . . . . . 82 TYR CB . 50507 1 942 . 1 . 1 82 82 TYR N N 15 122.087 0.030 . 1 . . . . . 82 TYR N . 50507 1 943 . 1 . 1 83 83 GLY H H 1 3.044 0.007 . 1 . . . . . 83 GLY H . 50507 1 944 . 1 . 1 83 83 GLY HA2 H 1 3.717 0.006 . 2 . . . . . 83 GLY HA2 . 50507 1 945 . 1 . 1 83 83 GLY HA3 H 1 2.572 0.006 . 2 . . . . . 83 GLY HA3 . 50507 1 946 . 1 . 1 83 83 GLY C C 13 174.182 0.000 . 1 . . . . . 83 GLY C . 50507 1 947 . 1 . 1 83 83 GLY CA C 13 44.713 0.057 . 1 . . . . . 83 GLY CA . 50507 1 948 . 1 . 1 83 83 GLY N N 15 112.449 0.019 . 1 . . . . . 83 GLY N . 50507 1 949 . 1 . 1 84 84 GLU H H 1 7.107 0.007 . 1 . . . . . 84 GLU H . 50507 1 950 . 1 . 1 84 84 GLU HA H 1 3.885 0.009 . 1 . . . . . 84 GLU HA . 50507 1 951 . 1 . 1 84 84 GLU HB2 H 1 2.118 0.012 . 2 . . . . . 84 GLU HB2 . 50507 1 952 . 1 . 1 84 84 GLU HB3 H 1 1.896 0.010 . 2 . . . . . 84 GLU HB3 . 50507 1 953 . 1 . 1 84 84 GLU HG2 H 1 2.291 0.009 . 2 . . . . . 84 GLU HG2 . 50507 1 954 . 1 . 1 84 84 GLU HG3 H 1 2.391 0.005 . 2 . . . . . 84 GLU HG3 . 50507 1 955 . 1 . 1 84 84 GLU C C 13 177.227 0.000 . 1 . . . . . 84 GLU C . 50507 1 956 . 1 . 1 84 84 GLU CA C 13 57.923 0.156 . 1 . . . . . 84 GLU CA . 50507 1 957 . 1 . 1 84 84 GLU CB C 13 30.726 0.097 . 1 . . . . . 84 GLU CB . 50507 1 958 . 1 . 1 84 84 GLU CG C 13 36.575 0.076 . 1 . . . . . 84 GLU CG . 50507 1 959 . 1 . 1 84 84 GLU N N 15 122.179 0.035 . 1 . . . . . 84 GLU N . 50507 1 960 . 1 . 1 85 85 SER H H 1 8.665 0.009 . 1 . . . . . 85 SER H . 50507 1 961 . 1 . 1 85 85 SER HA H 1 4.433 0.013 . 1 . . . . . 85 SER HA . 50507 1 962 . 1 . 1 85 85 SER HB2 H 1 3.867 0.014 . 2 . . . . . 85 SER HB2 . 50507 1 963 . 1 . 1 85 85 SER HB3 H 1 3.909 0.033 . 2 . . . . . 85 SER HB3 . 50507 1 964 . 1 . 1 85 85 SER C C 13 173.817 0.000 . 1 . . . . . 85 SER C . 50507 1 965 . 1 . 1 85 85 SER CA C 13 58.558 0.113 . 1 . . . . . 85 SER CA . 50507 1 966 . 1 . 1 85 85 SER CB C 13 62.224 0.194 . 1 . . . . . 85 SER CB . 50507 1 967 . 1 . 1 85 85 SER N N 15 120.482 0.030 . 1 . . . . . 85 SER N . 50507 1 968 . 1 . 1 86 86 LEU H H 1 8.348 0.015 . 1 . . . . . 86 LEU H . 50507 1 969 . 1 . 1 86 86 LEU HA H 1 4.565 0.010 . 1 . . . . . 86 LEU HA . 50507 1 970 . 1 . 1 86 86 LEU HB2 H 1 0.883 0.011 . 2 . . . . . 86 LEU HB2 . 50507 1 971 . 1 . 1 86 86 LEU HB3 H 1 1.106 0.015 . 2 . . . . . 86 LEU HB3 . 50507 1 972 . 1 . 1 86 86 LEU HG H 1 1.219 0.010 . 1 . . . . . 86 LEU HG . 50507 1 973 . 1 . 1 86 86 LEU HD11 H 1 0.149 0.010 . 2 . . . . . 86 LEU HD11 . 50507 1 974 . 1 . 1 86 86 LEU HD12 H 1 0.149 0.010 . 2 . . . . . 86 LEU HD12 . 50507 1 975 . 1 . 1 86 86 LEU HD13 H 1 0.149 0.010 . 2 . . . . . 86 LEU HD13 . 50507 1 976 . 1 . 1 86 86 LEU HD21 H 1 0.716 0.016 . 2 . . . . . 86 LEU HD21 . 50507 1 977 . 1 . 1 86 86 LEU HD22 H 1 0.716 0.016 . 2 . . . . . 86 LEU HD22 . 50507 1 978 . 1 . 1 86 86 LEU HD23 H 1 0.716 0.016 . 2 . . . . . 86 LEU HD23 . 50507 1 979 . 1 . 1 86 86 LEU C C 13 175.879 0.000 . 1 . . . . . 86 LEU C . 50507 1 980 . 1 . 1 86 86 LEU CA C 13 53.259 0.211 . 1 . . . . . 86 LEU CA . 50507 1 981 . 1 . 1 86 86 LEU CB C 13 46.030 0.060 . 1 . . . . . 86 LEU CB . 50507 1 982 . 1 . 1 86 86 LEU CG C 13 26.296 0.000 . 1 . . . . . 86 LEU CG . 50507 1 983 . 1 . 1 86 86 LEU CD1 C 13 25.395 0.000 . 2 . . . . . 86 LEU CD1 . 50507 1 984 . 1 . 1 86 86 LEU CD2 C 13 22.640 0.000 . 2 . . . . . 86 LEU CD2 . 50507 1 985 . 1 . 1 86 86 LEU N N 15 131.451 0.060 . 1 . . . . . 86 LEU N . 50507 1 986 . 1 . 1 87 87 GLU H H 1 8.537 0.008 . 1 . . . . . 87 GLU H . 50507 1 987 . 1 . 1 87 87 GLU HA H 1 4.167 0.006 . 1 . . . . . 87 GLU HA . 50507 1 988 . 1 . 1 87 87 GLU HB2 H 1 2.029 0.013 . 2 . . . . . 87 GLU HB2 . 50507 1 989 . 1 . 1 87 87 GLU HB3 H 1 1.910 0.011 . 2 . . . . . 87 GLU HB3 . 50507 1 990 . 1 . 1 87 87 GLU HG2 H 1 2.263 0.015 . 1 . . . . . 87 GLU HG2 . 50507 1 991 . 1 . 1 87 87 GLU HG3 H 1 2.264 0.015 . 1 . . . . . 87 GLU HG3 . 50507 1 992 . 1 . 1 87 87 GLU C C 13 177.838 0.000 . 1 . . . . . 87 GLU C . 50507 1 993 . 1 . 1 87 87 GLU CA C 13 57.222 0.069 . 1 . . . . . 87 GLU CA . 50507 1 994 . 1 . 1 87 87 GLU CB C 13 29.496 0.068 . 1 . . . . . 87 GLU CB . 50507 1 995 . 1 . 1 87 87 GLU CG C 13 36.087 0.082 . 1 . . . . . 87 GLU CG . 50507 1 996 . 1 . 1 87 87 GLU N N 15 123.711 0.025 . 1 . . . . . 87 GLU N . 50507 1 997 . 1 . 1 88 88 GLY H H 1 9.235 0.014 . 1 . . . . . 88 GLY H . 50507 1 998 . 1 . 1 88 88 GLY HA2 H 1 3.856 0.015 . 2 . . . . . 88 GLY HA2 . 50507 1 999 . 1 . 1 88 88 GLY HA3 H 1 3.299 0.007 . 2 . . . . . 88 GLY HA3 . 50507 1 1000 . 1 . 1 88 88 GLY C C 13 171.627 0.000 . 1 . . . . . 88 GLY C . 50507 1 1001 . 1 . 1 88 88 GLY CA C 13 46.329 0.050 . 1 . . . . . 88 GLY CA . 50507 1 1002 . 1 . 1 88 88 GLY N N 15 113.758 0.040 . 1 . . . . . 88 GLY N . 50507 1 1003 . 1 . 1 89 89 VAL H H 1 7.245 0.008 . 1 . . . . . 89 VAL H . 50507 1 1004 . 1 . 1 89 89 VAL HA H 1 5.425 0.012 . 1 . . . . . 89 VAL HA . 50507 1 1005 . 1 . 1 89 89 VAL HB H 1 1.654 0.013 . 1 . . . . . 89 VAL HB . 50507 1 1006 . 1 . 1 89 89 VAL HG11 H 1 0.501 0.016 . 2 . . . . . 89 VAL HG11 . 50507 1 1007 . 1 . 1 89 89 VAL HG12 H 1 0.501 0.016 . 2 . . . . . 89 VAL HG12 . 50507 1 1008 . 1 . 1 89 89 VAL HG13 H 1 0.501 0.016 . 2 . . . . . 89 VAL HG13 . 50507 1 1009 . 1 . 1 89 89 VAL HG21 H 1 -0.130 0.014 . 2 . . . . . 89 VAL HG21 . 50507 1 1010 . 1 . 1 89 89 VAL HG22 H 1 -0.130 0.014 . 2 . . . . . 89 VAL HG22 . 50507 1 1011 . 1 . 1 89 89 VAL HG23 H 1 -0.130 0.014 . 2 . . . . . 89 VAL HG23 . 50507 1 1012 . 1 . 1 89 89 VAL C C 13 175.735 0.000 . 1 . . . . . 89 VAL C . 50507 1 1013 . 1 . 1 89 89 VAL CA C 13 60.690 0.059 . 1 . . . . . 89 VAL CA . 50507 1 1014 . 1 . 1 89 89 VAL CB C 13 35.053 0.101 . 1 . . . . . 89 VAL CB . 50507 1 1015 . 1 . 1 89 89 VAL CG1 C 13 23.767 0.038 . 2 . . . . . 89 VAL CG1 . 50507 1 1016 . 1 . 1 89 89 VAL CG2 C 13 20.273 0.041 . 2 . . . . . 89 VAL CG2 . 50507 1 1017 . 1 . 1 89 89 VAL N N 15 116.095 0.031 . 1 . . . . . 89 VAL N . 50507 1 1018 . 1 . 1 90 90 PHE H H 1 9.654 0.006 . 1 . . . . . 90 PHE H . 50507 1 1019 . 1 . 1 90 90 PHE HA H 1 4.962 0.011 . 1 . . . . . 90 PHE HA . 50507 1 1020 . 1 . 1 90 90 PHE HB2 H 1 2.956 0.015 . 2 . . . . . 90 PHE HB2 . 50507 1 1021 . 1 . 1 90 90 PHE HB3 H 1 3.390 0.006 . 2 . . . . . 90 PHE HB3 . 50507 1 1022 . 1 . 1 90 90 PHE HD1 H 1 7.462 0.016 . 1 . . . . . 90 PHE HD1 . 50507 1 1023 . 1 . 1 90 90 PHE HD2 H 1 7.462 0.016 . 1 . . . . . 90 PHE HD2 . 50507 1 1024 . 1 . 1 90 90 PHE HE1 H 1 7.641 0.013 . 1 . . . . . 90 PHE HE1 . 50507 1 1025 . 1 . 1 90 90 PHE HE2 H 1 7.641 0.013 . 1 . . . . . 90 PHE HE2 . 50507 1 1026 . 1 . 1 90 90 PHE HZ H 1 7.202 0.000 . 1 . . . . . 90 PHE HZ . 50507 1 1027 . 1 . 1 90 90 PHE C C 13 174.770 0.000 . 1 . . . . . 90 PHE C . 50507 1 1028 . 1 . 1 90 90 PHE CA C 13 58.163 0.080 . 1 . . . . . 90 PHE CA . 50507 1 1029 . 1 . 1 90 90 PHE CB C 13 43.321 0.088 . 1 . . . . . 90 PHE CB . 50507 1 1030 . 1 . 1 90 90 PHE CD1 C 13 132.523 0.068 . 1 . . . . . 90 PHE CD1 . 50507 1 1031 . 1 . 1 90 90 PHE CD2 C 13 132.523 0.068 . 1 . . . . . 90 PHE CD2 . 50507 1 1032 . 1 . 1 90 90 PHE CE1 C 13 132.405 0.024 . 1 . . . . . 90 PHE CE1 . 50507 1 1033 . 1 . 1 90 90 PHE CE2 C 13 132.405 0.024 . 1 . . . . . 90 PHE CE2 . 50507 1 1034 . 1 . 1 90 90 PHE CZ C 13 130.696 0.000 . 1 . . . . . 90 PHE CZ . 50507 1 1035 . 1 . 1 90 90 PHE N N 15 129.703 0.046 . 1 . . . . . 90 PHE N . 50507 1 1036 . 1 . 1 91 91 TRP H H 1 7.743 0.004 . 1 . . . . . 91 TRP H . 50507 1 1037 . 1 . 1 91 91 TRP HA H 1 4.842 0.009 . 1 . . . . . 91 TRP HA . 50507 1 1038 . 1 . 1 91 91 TRP HB2 H 1 2.477 0.011 . 2 . . . . . 91 TRP HB2 . 50507 1 1039 . 1 . 1 91 91 TRP HB3 H 1 2.759 0.009 . 2 . . . . . 91 TRP HB3 . 50507 1 1040 . 1 . 1 91 91 TRP HD1 H 1 7.472 0.010 . 1 . . . . . 91 TRP HD1 . 50507 1 1041 . 1 . 1 91 91 TRP HE1 H 1 10.920 0.005 . 1 . . . . . 91 TRP HE1 . 50507 1 1042 . 1 . 1 91 91 TRP HE3 H 1 6.881 0.026 . 1 . . . . . 91 TRP HE3 . 50507 1 1043 . 1 . 1 91 91 TRP HZ2 H 1 6.896 0.018 . 1 . . . . . 91 TRP HZ2 . 50507 1 1044 . 1 . 1 91 91 TRP HZ3 H 1 7.034 0.014 . 1 . . . . . 91 TRP HZ3 . 50507 1 1045 . 1 . 1 91 91 TRP HH2 H 1 6.667 0.024 . 1 . . . . . 91 TRP HH2 . 50507 1 1046 . 1 . 1 91 91 TRP C C 13 175.527 0.000 . 1 . . . . . 91 TRP C . 50507 1 1047 . 1 . 1 91 91 TRP CA C 13 58.172 0.064 . 1 . . . . . 91 TRP CA . 50507 1 1048 . 1 . 1 91 91 TRP CB C 13 28.705 0.053 . 1 . . . . . 91 TRP CB . 50507 1 1049 . 1 . 1 91 91 TRP CD1 C 13 126.048 0.119 . 1 . . . . . 91 TRP CD1 . 50507 1 1050 . 1 . 1 91 91 TRP CE3 C 13 120.484 0.000 . 1 . . . . . 91 TRP CE3 . 50507 1 1051 . 1 . 1 91 91 TRP CZ2 C 13 115.086 0.029 . 1 . . . . . 91 TRP CZ2 . 50507 1 1052 . 1 . 1 91 91 TRP CZ3 C 13 122.041 0.027 . 1 . . . . . 91 TRP CZ3 . 50507 1 1053 . 1 . 1 91 91 TRP CH2 C 13 125.197 0.059 . 1 . . . . . 91 TRP CH2 . 50507 1 1054 . 1 . 1 91 91 TRP N N 15 131.537 0.042 . 1 . . . . . 91 TRP N . 50507 1 1055 . 1 . 1 91 91 TRP NE1 N 15 131.267 0.032 . 1 . . . . . 91 TRP NE1 . 50507 1 1056 . 1 . 1 92 92 VAL H H 1 9.362 0.008 . 1 . . . . . 92 VAL H . 50507 1 1057 . 1 . 1 92 92 VAL HA H 1 5.058 0.013 . 1 . . . . . 92 VAL HA . 50507 1 1058 . 1 . 1 92 92 VAL HB H 1 2.183 0.016 . 1 . . . . . 92 VAL HB . 50507 1 1059 . 1 . 1 92 92 VAL HG11 H 1 1.481 0.009 . 2 . . . . . 92 VAL HG11 . 50507 1 1060 . 1 . 1 92 92 VAL HG12 H 1 1.481 0.009 . 2 . . . . . 92 VAL HG12 . 50507 1 1061 . 1 . 1 92 92 VAL HG13 H 1 1.481 0.009 . 2 . . . . . 92 VAL HG13 . 50507 1 1062 . 1 . 1 92 92 VAL HG21 H 1 1.134 0.016 . 2 . . . . . 92 VAL HG21 . 50507 1 1063 . 1 . 1 92 92 VAL HG22 H 1 1.134 0.016 . 2 . . . . . 92 VAL HG22 . 50507 1 1064 . 1 . 1 92 92 VAL HG23 H 1 1.134 0.016 . 2 . . . . . 92 VAL HG23 . 50507 1 1065 . 1 . 1 92 92 VAL C C 13 174.343 0.000 . 1 . . . . . 92 VAL C . 50507 1 1066 . 1 . 1 92 92 VAL CA C 13 59.888 0.075 . 1 . . . . . 92 VAL CA . 50507 1 1067 . 1 . 1 92 92 VAL CB C 13 36.497 0.083 . 1 . . . . . 92 VAL CB . 50507 1 1068 . 1 . 1 92 92 VAL CG1 C 13 24.567 0.061 . 2 . . . . . 92 VAL CG1 . 50507 1 1069 . 1 . 1 92 92 VAL CG2 C 13 20.317 0.000 . 2 . . . . . 92 VAL CG2 . 50507 1 1070 . 1 . 1 92 92 VAL N N 15 115.565 0.045 . 1 . . . . . 92 VAL N . 50507 1 1071 . 1 . 1 93 93 ALA H H 1 8.813 0.007 . 1 . . . . . 93 ALA H . 50507 1 1072 . 1 . 1 93 93 ALA HA H 1 4.616 0.022 . 1 . . . . . 93 ALA HA . 50507 1 1073 . 1 . 1 93 93 ALA HB1 H 1 1.333 0.020 . 1 . . . . . 93 ALA HB1 . 50507 1 1074 . 1 . 1 93 93 ALA HB2 H 1 1.333 0.020 . 1 . . . . . 93 ALA HB2 . 50507 1 1075 . 1 . 1 93 93 ALA HB3 H 1 1.333 0.020 . 1 . . . . . 93 ALA HB3 . 50507 1 1076 . 1 . 1 93 93 ALA C C 13 176.581 0.000 . 1 . . . . . 93 ALA C . 50507 1 1077 . 1 . 1 93 93 ALA CA C 13 53.118 0.155 . 1 . . . . . 93 ALA CA . 50507 1 1078 . 1 . 1 93 93 ALA CB C 13 21.596 0.093 . 1 . . . . . 93 ALA CB . 50507 1 1079 . 1 . 1 93 93 ALA N N 15 118.715 0.028 . 1 . . . . . 93 ALA N . 50507 1 1080 . 1 . 1 94 94 ASN H H 1 8.271 0.010 . 1 . . . . . 94 ASN H . 50507 1 1081 . 1 . 1 94 94 ASN HA H 1 4.534 0.022 . 1 . . . . . 94 ASN HA . 50507 1 1082 . 1 . 1 94 94 ASN HB2 H 1 2.919 0.012 . 2 . . . . . 94 ASN HB2 . 50507 1 1083 . 1 . 1 94 94 ASN HB3 H 1 2.839 0.017 . 2 . . . . . 94 ASN HB3 . 50507 1 1084 . 1 . 1 94 94 ASN HD21 H 1 7.162 0.013 . 1 . . . . . 94 ASN HD21 . 50507 1 1085 . 1 . 1 94 94 ASN HD22 H 1 7.853 0.007 . 1 . . . . . 94 ASN HD22 . 50507 1 1086 . 1 . 1 94 94 ASN C C 13 177.090 0.000 . 1 . . . . . 94 ASN C . 50507 1 1087 . 1 . 1 94 94 ASN CA C 13 53.231 0.147 . 1 . . . . . 94 ASN CA . 50507 1 1088 . 1 . 1 94 94 ASN CB C 13 40.622 0.060 . 1 . . . . . 94 ASN CB . 50507 1 1089 . 1 . 1 94 94 ASN N N 15 120.154 0.038 . 1 . . . . . 94 ASN N . 50507 1 1090 . 1 . 1 94 94 ASN ND2 N 15 113.365 0.111 . 1 . . . . . 94 ASN ND2 . 50507 1 1091 . 1 . 1 95 95 HIS H H 1 9.205 0.016 . 1 . . . . . 95 HIS H . 50507 1 1092 . 1 . 1 95 95 HIS HA H 1 4.523 0.008 . 1 . . . . . 95 HIS HA . 50507 1 1093 . 1 . 1 95 95 HIS HB2 H 1 3.179 0.011 . 1 . . . . . 95 HIS HB2 . 50507 1 1094 . 1 . 1 95 95 HIS HB3 H 1 3.179 0.011 . 1 . . . . . 95 HIS HB3 . 50507 1 1095 . 1 . 1 95 95 HIS HD2 H 1 7.179 0.010 . 1 . . . . . 95 HIS HD2 . 50507 1 1096 . 1 . 1 95 95 HIS C C 13 176.173 0.000 . 1 . . . . . 95 HIS C . 50507 1 1097 . 1 . 1 95 95 HIS CA C 13 58.794 0.048 . 1 . . . . . 95 HIS CA . 50507 1 1098 . 1 . 1 95 95 HIS CB C 13 30.343 0.057 . 1 . . . . . 95 HIS CB . 50507 1 1099 . 1 . 1 95 95 HIS CD2 C 13 119.656 0.055 . 1 . . . . . 95 HIS CD2 . 50507 1 1100 . 1 . 1 95 95 HIS N N 15 124.493 0.083 . 1 . . . . . 95 HIS N . 50507 1 1101 . 1 . 1 96 96 GLN H H 1 8.918 0.008 . 1 . . . . . 96 GLN H . 50507 1 1102 . 1 . 1 96 96 GLN HA H 1 4.171 0.011 . 1 . . . . . 96 GLN HA . 50507 1 1103 . 1 . 1 96 96 GLN HB2 H 1 2.088 0.021 . 2 . . . . . 96 GLN HB2 . 50507 1 1104 . 1 . 1 96 96 GLN HB3 H 1 1.726 0.008 . 2 . . . . . 96 GLN HB3 . 50507 1 1105 . 1 . 1 96 96 GLN HG2 H 1 2.139 0.015 . 2 . . . . . 96 GLN HG2 . 50507 1 1106 . 1 . 1 96 96 GLN HG3 H 1 2.219 0.010 . 2 . . . . . 96 GLN HG3 . 50507 1 1107 . 1 . 1 96 96 GLN HE21 H 1 7.521 0.024 . 1 . . . . . 96 GLN HE21 . 50507 1 1108 . 1 . 1 96 96 GLN HE22 H 1 6.863 0.007 . 1 . . . . . 96 GLN HE22 . 50507 1 1109 . 1 . 1 96 96 GLN C C 13 175.371 0.000 . 1 . . . . . 96 GLN C . 50507 1 1110 . 1 . 1 96 96 GLN CA C 13 56.269 0.153 . 1 . . . . . 96 GLN CA . 50507 1 1111 . 1 . 1 96 96 GLN CB C 13 29.025 0.165 . 1 . . . . . 96 GLN CB . 50507 1 1112 . 1 . 1 96 96 GLN CG C 13 34.632 0.082 . 1 . . . . . 96 GLN CG . 50507 1 1113 . 1 . 1 96 96 GLN N N 15 115.771 0.028 . 1 . . . . . 96 GLN N . 50507 1 1114 . 1 . 1 96 96 GLN NE2 N 15 112.154 0.223 . 1 . . . . . 96 GLN NE2 . 50507 1 1115 . 1 . 1 97 97 ALA H H 1 7.657 0.008 . 1 . . . . . 97 ALA H . 50507 1 1116 . 1 . 1 97 97 ALA HA H 1 4.239 0.010 . 1 . . . . . 97 ALA HA . 50507 1 1117 . 1 . 1 97 97 ALA HB1 H 1 1.247 0.016 . 1 . . . . . 97 ALA HB1 . 50507 1 1118 . 1 . 1 97 97 ALA HB2 H 1 1.247 0.016 . 1 . . . . . 97 ALA HB2 . 50507 1 1119 . 1 . 1 97 97 ALA HB3 H 1 1.247 0.016 . 1 . . . . . 97 ALA HB3 . 50507 1 1120 . 1 . 1 97 97 ALA C C 13 176.065 0.000 . 1 . . . . . 97 ALA C . 50507 1 1121 . 1 . 1 97 97 ALA CA C 13 52.131 0.089 . 1 . . . . . 97 ALA CA . 50507 1 1122 . 1 . 1 97 97 ALA CB C 13 20.342 0.062 . 1 . . . . . 97 ALA CB . 50507 1 1123 . 1 . 1 97 97 ALA N N 15 122.266 0.030 . 1 . . . . . 97 ALA N . 50507 1 1124 . 1 . 1 98 98 ASP H H 1 9.026 0.009 . 1 . . . . . 98 ASP H . 50507 1 1125 . 1 . 1 98 98 ASP HA H 1 4.771 0.016 . 1 . . . . . 98 ASP HA . 50507 1 1126 . 1 . 1 98 98 ASP HB2 H 1 2.799 0.012 . 2 . . . . . 98 ASP HB2 . 50507 1 1127 . 1 . 1 98 98 ASP HB3 H 1 2.722 0.029 . 2 . . . . . 98 ASP HB3 . 50507 1 1128 . 1 . 1 98 98 ASP C C 13 177.152 0.000 . 1 . . . . . 98 ASP C . 50507 1 1129 . 1 . 1 98 98 ASP CA C 13 52.110 0.054 . 1 . . . . . 98 ASP CA . 50507 1 1130 . 1 . 1 98 98 ASP CB C 13 40.527 0.196 . 1 . . . . . 98 ASP CB . 50507 1 1131 . 1 . 1 98 98 ASP N N 15 121.773 0.041 . 1 . . . . . 98 ASP N . 50507 1 1132 . 1 . 1 99 99 THR H H 1 8.199 0.008 . 1 . . . . . 99 THR H . 50507 1 1133 . 1 . 1 99 99 THR HA H 1 3.625 0.011 . 1 . . . . . 99 THR HA . 50507 1 1134 . 1 . 1 99 99 THR HB H 1 3.812 0.008 . 1 . . . . . 99 THR HB . 50507 1 1135 . 1 . 1 99 99 THR HG21 H 1 0.248 0.008 . 1 . . . . . 99 THR HG21 . 50507 1 1136 . 1 . 1 99 99 THR HG22 H 1 0.248 0.008 . 1 . . . . . 99 THR HG22 . 50507 1 1137 . 1 . 1 99 99 THR HG23 H 1 0.248 0.008 . 1 . . . . . 99 THR HG23 . 50507 1 1138 . 1 . 1 99 99 THR C C 13 172.891 0.000 . 1 . . . . . 99 THR C . 50507 1 1139 . 1 . 1 99 99 THR CA C 13 62.622 0.077 . 1 . . . . . 99 THR CA . 50507 1 1140 . 1 . 1 99 99 THR CB C 13 67.642 0.168 . 1 . . . . . 99 THR CB . 50507 1 1141 . 1 . 1 99 99 THR CG2 C 13 21.035 0.038 . 1 . . . . . 99 THR CG2 . 50507 1 1142 . 1 . 1 99 99 THR N N 15 115.140 0.040 . 1 . . . . . 99 THR N . 50507 1 1143 . 1 . 1 100 100 SER H H 1 8.440 0.008 . 1 . . . . . 100 SER H . 50507 1 1144 . 1 . 1 100 100 SER HA H 1 4.339 0.008 . 1 . . . . . 100 SER HA . 50507 1 1145 . 1 . 1 100 100 SER HB2 H 1 3.842 0.023 . 2 . . . . . 100 SER HB2 . 50507 1 1146 . 1 . 1 100 100 SER HB3 H 1 4.012 0.019 . 2 . . . . . 100 SER HB3 . 50507 1 1147 . 1 . 1 100 100 SER C C 13 173.856 0.000 . 1 . . . . . 100 SER C . 50507 1 1148 . 1 . 1 100 100 SER CA C 13 59.920 0.140 . 1 . . . . . 100 SER CA . 50507 1 1149 . 1 . 1 100 100 SER CB C 13 64.355 0.248 . 1 . . . . . 100 SER CB . 50507 1 1150 . 1 . 1 100 100 SER N N 15 115.396 0.073 . 1 . . . . . 100 SER N . 50507 1 1151 . 1 . 1 101 101 THR H H 1 7.110 0.007 . 1 . . . . . 101 THR H . 50507 1 1152 . 1 . 1 101 101 THR HA H 1 4.900 0.008 . 1 . . . . . 101 THR HA . 50507 1 1153 . 1 . 1 101 101 THR HB H 1 4.074 0.024 . 1 . . . . . 101 THR HB . 50507 1 1154 . 1 . 1 101 101 THR HG21 H 1 1.151 0.013 . 1 . . . . . 101 THR HG21 . 50507 1 1155 . 1 . 1 101 101 THR HG22 H 1 1.151 0.013 . 1 . . . . . 101 THR HG22 . 50507 1 1156 . 1 . 1 101 101 THR HG23 H 1 1.151 0.013 . 1 . . . . . 101 THR HG23 . 50507 1 1157 . 1 . 1 101 101 THR CA C 13 57.625 0.048 . 1 . . . . . 101 THR CA . 50507 1 1158 . 1 . 1 101 101 THR CB C 13 70.480 0.077 . 1 . . . . . 101 THR CB . 50507 1 1159 . 1 . 1 101 101 THR CG2 C 13 21.776 0.000 . 1 . . . . . 101 THR CG2 . 50507 1 1160 . 1 . 1 101 101 THR N N 15 113.137 0.025 . 1 . . . . . 101 THR N . 50507 1 1161 . 1 . 1 102 102 PRO HA H 1 4.210 0.010 . 1 . . . . . 102 PRO HA . 50507 1 1162 . 1 . 1 102 102 PRO HB2 H 1 2.447 0.012 . 2 . . . . . 102 PRO HB2 . 50507 1 1163 . 1 . 1 102 102 PRO HB3 H 1 2.172 0.014 . 2 . . . . . 102 PRO HB3 . 50507 1 1164 . 1 . 1 102 102 PRO HG2 H 1 2.081 0.025 . 1 . . . . . 102 PRO HG2 . 50507 1 1165 . 1 . 1 102 102 PRO HG3 H 1 2.081 0.025 . 1 . . . . . 102 PRO HG3 . 50507 1 1166 . 1 . 1 102 102 PRO HD2 H 1 3.814 0.012 . 2 . . . . . 102 PRO HD2 . 50507 1 1167 . 1 . 1 102 102 PRO HD3 H 1 3.744 0.018 . 2 . . . . . 102 PRO HD3 . 50507 1 1168 . 1 . 1 102 102 PRO C C 13 176.962 0.000 . 1 . . . . . 102 PRO C . 50507 1 1169 . 1 . 1 102 102 PRO CA C 13 62.589 0.046 . 1 . . . . . 102 PRO CA . 50507 1 1170 . 1 . 1 102 102 PRO CB C 13 32.934 0.172 . 1 . . . . . 102 PRO CB . 50507 1 1171 . 1 . 1 102 102 PRO CG C 13 27.414 0.242 . 1 . . . . . 102 PRO CG . 50507 1 1172 . 1 . 1 102 102 PRO CD C 13 50.776 0.065 . 1 . . . . . 102 PRO CD . 50507 1 1173 . 1 . 1 103 103 SER H H 1 8.179 0.014 . 1 . . . . . 103 SER H . 50507 1 1174 . 1 . 1 103 103 SER HA H 1 4.641 0.012 . 1 . . . . . 103 SER HA . 50507 1 1175 . 1 . 1 103 103 SER HB2 H 1 4.041 0.020 . 1 . . . . . 103 SER HB2 . 50507 1 1176 . 1 . 1 103 103 SER HB3 H 1 4.040 0.021 . 1 . . . . . 103 SER HB3 . 50507 1 1177 . 1 . 1 103 103 SER C C 13 174.244 0.000 . 1 . . . . . 103 SER C . 50507 1 1178 . 1 . 1 103 103 SER CA C 13 60.053 0.080 . 1 . . . . . 103 SER CA . 50507 1 1179 . 1 . 1 103 103 SER CB C 13 64.470 0.207 . 1 . . . . . 103 SER CB . 50507 1 1180 . 1 . 1 103 103 SER N N 15 115.973 0.046 . 1 . . . . . 103 SER N . 50507 1 1181 . 1 . 1 104 104 ASP H H 1 9.431 0.012 . 1 . . . . . 104 ASP H . 50507 1 1182 . 1 . 1 104 104 ASP HA H 1 4.780 0.011 . 1 . . . . . 104 ASP HA . 50507 1 1183 . 1 . 1 104 104 ASP HB2 H 1 2.654 0.005 . 2 . . . . . 104 ASP HB2 . 50507 1 1184 . 1 . 1 104 104 ASP HB3 H 1 2.438 0.008 . 2 . . . . . 104 ASP HB3 . 50507 1 1185 . 1 . 1 104 104 ASP C C 13 174.986 0.000 . 1 . . . . . 104 ASP C . 50507 1 1186 . 1 . 1 104 104 ASP CA C 13 53.113 0.064 . 1 . . . . . 104 ASP CA . 50507 1 1187 . 1 . 1 104 104 ASP CB C 13 39.864 0.139 . 1 . . . . . 104 ASP CB . 50507 1 1188 . 1 . 1 104 104 ASP N N 15 127.958 0.037 . 1 . . . . . 104 ASP N . 50507 1 1189 . 1 . 1 105 105 VAL H H 1 7.350 0.004 . 1 . . . . . 105 VAL H . 50507 1 1190 . 1 . 1 105 105 VAL HA H 1 4.174 0.009 . 1 . . . . . 105 VAL HA . 50507 1 1191 . 1 . 1 105 105 VAL HB H 1 1.638 0.022 . 1 . . . . . 105 VAL HB . 50507 1 1192 . 1 . 1 105 105 VAL HG11 H 1 0.436 0.000 . 2 . . . . . 105 VAL HG11 . 50507 1 1193 . 1 . 1 105 105 VAL HG12 H 1 0.436 0.000 . 2 . . . . . 105 VAL HG12 . 50507 1 1194 . 1 . 1 105 105 VAL HG13 H 1 0.436 0.000 . 2 . . . . . 105 VAL HG13 . 50507 1 1195 . 1 . 1 105 105 VAL HG21 H 1 0.426 0.000 . 2 . . . . . 105 VAL HG21 . 50507 1 1196 . 1 . 1 105 105 VAL HG22 H 1 0.426 0.000 . 2 . . . . . 105 VAL HG22 . 50507 1 1197 . 1 . 1 105 105 VAL HG23 H 1 0.426 0.000 . 2 . . . . . 105 VAL HG23 . 50507 1 1198 . 1 . 1 105 105 VAL C C 13 175.818 0.000 . 1 . . . . . 105 VAL C . 50507 1 1199 . 1 . 1 105 105 VAL CA C 13 60.7785 . . 1 . . . . . 105 VAL CA . 50507 1 1200 . 1 . 1 105 105 VAL CB C 13 34.554 0.051 . 1 . . . . . 105 VAL CB . 50507 1 1201 . 1 . 1 105 105 VAL CG1 C 13 19.468 0.000 . 2 . . . . . 105 VAL CG1 . 50507 1 1202 . 1 . 1 105 105 VAL CG2 C 13 20.820 0.000 . 2 . . . . . 105 VAL CG2 . 50507 1 1203 . 1 . 1 105 105 VAL N N 15 117.677 0.032 . 1 . . . . . 105 VAL N . 50507 1 1204 . 1 . 1 106 106 SER H H 1 8.365 0.005 . 1 . . . . . 106 SER H . 50507 1 1205 . 1 . 1 106 106 SER HA H 1 4.654 0.017 . 1 . . . . . 106 SER HA . 50507 1 1206 . 1 . 1 106 106 SER HB2 H 1 4.053 0.008 . 1 . . . . . 106 SER HB2 . 50507 1 1207 . 1 . 1 106 106 SER HB3 H 1 4.053 0.008 . 1 . . . . . 106 SER HB3 . 50507 1 1208 . 1 . 1 106 106 SER C C 13 174.708 0.000 . 1 . . . . . 106 SER C . 50507 1 1209 . 1 . 1 106 106 SER CA C 13 58.485 0.144 . 1 . . . . . 106 SER CA . 50507 1 1210 . 1 . 1 106 106 SER CB C 13 64.340 0.088 . 1 . . . . . 106 SER CB . 50507 1 1211 . 1 . 1 106 106 SER N N 15 120.610 0.066 . 1 . . . . . 106 SER N . 50507 1 1212 . 1 . 1 107 107 SER H H 1 8.758 0.016 . 1 . . . . . 107 SER H . 50507 1 1213 . 1 . 1 107 107 SER HA H 1 3.958 0.016 . 1 . . . . . 107 SER HA . 50507 1 1214 . 1 . 1 107 107 SER HB2 H 1 3.962 0.022 . 1 . . . . . 107 SER HB2 . 50507 1 1215 . 1 . 1 107 107 SER HB3 H 1 3.959 0.022 . 1 . . . . . 107 SER HB3 . 50507 1 1216 . 1 . 1 107 107 SER C C 13 173.537 0.000 . 1 . . . . . 107 SER C . 50507 1 1217 . 1 . 1 107 107 SER CA C 13 58.765 0.108 . 1 . . . . . 107 SER CA . 50507 1 1218 . 1 . 1 107 107 SER CB C 13 64.201 0.163 . 1 . . . . . 107 SER CB . 50507 1 1219 . 1 . 1 107 107 SER N N 15 117.784 0.021 . 1 . . . . . 107 SER N . 50507 1 1220 . 1 . 1 108 108 ARG H H 1 7.930 0.007 . 1 . . . . . 108 ARG H . 50507 1 1221 . 1 . 1 108 108 ARG HA H 1 3.262 0.011 . 1 . . . . . 108 ARG HA . 50507 1 1222 . 1 . 1 108 108 ARG HB2 H 1 0.724 0.006 . 2 . . . . . 108 ARG HB2 . 50507 1 1223 . 1 . 1 108 108 ARG HB3 H 1 -0.836 0.000 . 2 . . . . . 108 ARG HB3 . 50507 1 1224 . 1 . 1 108 108 ARG HG2 H 1 0.418 0.024 . 1 . . . . . 108 ARG HG2 . 50507 1 1225 . 1 . 1 108 108 ARG HG3 H 1 0.417 0.022 . 1 . . . . . 108 ARG HG3 . 50507 1 1226 . 1 . 1 108 108 ARG HD2 H 1 3.253 0.014 . 1 . . . . . 108 ARG HD2 . 50507 1 1227 . 1 . 1 108 108 ARG HD3 H 1 3.255 0.016 . 1 . . . . . 108 ARG HD3 . 50507 1 1228 . 1 . 1 108 108 ARG C C 13 174.634 0.000 . 1 . . . . . 108 ARG C . 50507 1 1229 . 1 . 1 108 108 ARG CA C 13 56.759 0.081 . 1 . . . . . 108 ARG CA . 50507 1 1230 . 1 . 1 108 108 ARG CB C 13 29.994 0.122 . 1 . . . . . 108 ARG CB . 50507 1 1231 . 1 . 1 108 108 ARG CG C 13 28.070 0.079 . 1 . . . . . 108 ARG CG . 50507 1 1232 . 1 . 1 108 108 ARG CD C 13 42.223 0.043 . 1 . . . . . 108 ARG CD . 50507 1 1233 . 1 . 1 108 108 ARG N N 15 125.717 0.070 . 1 . . . . . 108 ARG N . 50507 1 1234 . 1 . 1 109 109 ASP H H 1 8.512 0.007 . 1 . . . . . 109 ASP H . 50507 1 1235 . 1 . 1 109 109 ASP HA H 1 4.879 0.011 . 1 . . . . . 109 ASP HA . 50507 1 1236 . 1 . 1 109 109 ASP HB2 H 1 2.483 0.011 . 2 . . . . . 109 ASP HB2 . 50507 1 1237 . 1 . 1 109 109 ASP HB3 H 1 2.885 0.013 . 2 . . . . . 109 ASP HB3 . 50507 1 1238 . 1 . 1 109 109 ASP CA C 13 49.692 0.086 . 1 . . . . . 109 ASP CA . 50507 1 1239 . 1 . 1 109 109 ASP CB C 13 41.071 0.067 . 1 . . . . . 109 ASP CB . 50507 1 1240 . 1 . 1 109 109 ASP N N 15 126.221 0.058 . 1 . . . . . 109 ASP N . 50507 1 1241 . 1 . 1 110 110 PRO HA H 1 4.228 0.009 . 1 . . . . . 110 PRO HA . 50507 1 1242 . 1 . 1 110 110 PRO HB2 H 1 1.417 0.010 . 2 . . . . . 110 PRO HB2 . 50507 1 1243 . 1 . 1 110 110 PRO HB3 H 1 1.630 0.017 . 2 . . . . . 110 PRO HB3 . 50507 1 1244 . 1 . 1 110 110 PRO HG2 H 1 1.205 0.020 . 2 . . . . . 110 PRO HG2 . 50507 1 1245 . 1 . 1 110 110 PRO HG3 H 1 0.732 0.018 . 2 . . . . . 110 PRO HG3 . 50507 1 1246 . 1 . 1 110 110 PRO HD2 H 1 3.673 0.015 . 2 . . . . . 110 PRO HD2 . 50507 1 1247 . 1 . 1 110 110 PRO HD3 H 1 3.272 0.018 . 2 . . . . . 110 PRO HD3 . 50507 1 1248 . 1 . 1 110 110 PRO C C 13 177.307 0.000 . 1 . . . . . 110 PRO C . 50507 1 1249 . 1 . 1 110 110 PRO CA C 13 63.410 0.088 . 1 . . . . . 110 PRO CA . 50507 1 1250 . 1 . 1 110 110 PRO CB C 13 32.157 0.170 . 1 . . . . . 110 PRO CB . 50507 1 1251 . 1 . 1 110 110 PRO CG C 13 26.234 0.107 . 1 . . . . . 110 PRO CG . 50507 1 1252 . 1 . 1 110 110 PRO CD C 13 50.882 0.120 . 1 . . . . . 110 PRO CD . 50507 1 1253 . 1 . 1 111 111 THR H H 1 7.994 0.006 . 1 . . . . . 111 THR H . 50507 1 1254 . 1 . 1 111 111 THR HA H 1 4.049 0.016 . 1 . . . . . 111 THR HA . 50507 1 1255 . 1 . 1 111 111 THR HB H 1 4.148 0.007 . 1 . . . . . 111 THR HB . 50507 1 1256 . 1 . 1 111 111 THR C C 13 175.745 0.000 . 1 . . . . . 111 THR C . 50507 1 1257 . 1 . 1 111 111 THR CA C 13 64.269 0.093 . 1 . . . . . 111 THR CA . 50507 1 1258 . 1 . 1 111 111 THR CB C 13 68.774 0.092 . 1 . . . . . 111 THR CB . 50507 1 1259 . 1 . 1 111 111 THR N N 15 111.257 0.039 . 1 . . . . . 111 THR N . 50507 1 1260 . 1 . 1 112 112 THR H H 1 7.150 0.009 . 1 . . . . . 112 THR H . 50507 1 1261 . 1 . 1 112 112 THR HA H 1 4.467 0.007 . 1 . . . . . 112 THR HA . 50507 1 1262 . 1 . 1 112 112 THR HB H 1 4.213 0.013 . 1 . . . . . 112 THR HB . 50507 1 1263 . 1 . 1 112 112 THR HG21 H 1 1.104 0.011 . 1 . . . . . 112 THR HG21 . 50507 1 1264 . 1 . 1 112 112 THR HG22 H 1 1.104 0.011 . 1 . . . . . 112 THR HG22 . 50507 1 1265 . 1 . 1 112 112 THR HG23 H 1 1.104 0.011 . 1 . . . . . 112 THR HG23 . 50507 1 1266 . 1 . 1 112 112 THR C C 13 175.742 0.000 . 1 . . . . . 112 THR C . 50507 1 1267 . 1 . 1 112 112 THR CA C 13 61.552 0.097 . 1 . . . . . 112 THR CA . 50507 1 1268 . 1 . 1 112 112 THR CB C 13 70.913 0.085 . 1 . . . . . 112 THR CB . 50507 1 1269 . 1 . 1 112 112 THR CG2 C 13 21.737 0.000 . 1 . . . . . 112 THR CG2 . 50507 1 1270 . 1 . 1 112 112 THR N N 15 108.661 0.064 . 1 . . . . . 112 THR N . 50507 1 1271 . 1 . 1 113 113 GLN H H 1 8.086 0.005 . 1 . . . . . 113 GLN H . 50507 1 1272 . 1 . 1 113 113 GLN HA H 1 4.647 0.012 . 1 . . . . . 113 GLN HA . 50507 1 1273 . 1 . 1 113 113 GLN HB2 H 1 1.794 0.015 . 2 . . . . . 113 GLN HB2 . 50507 1 1274 . 1 . 1 113 113 GLN HB3 H 1 1.961 0.006 . 2 . . . . . 113 GLN HB3 . 50507 1 1275 . 1 . 1 113 113 GLN HG2 H 1 2.474 0.012 . 2 . . . . . 113 GLN HG2 . 50507 1 1276 . 1 . 1 113 113 GLN HG3 H 1 2.361 0.016 . 2 . . . . . 113 GLN HG3 . 50507 1 1277 . 1 . 1 113 113 GLN HE21 H 1 6.917 0.010 . 1 . . . . . 113 GLN HE21 . 50507 1 1278 . 1 . 1 113 113 GLN HE22 H 1 7.741 0.012 . 1 . . . . . 113 GLN HE22 . 50507 1 1279 . 1 . 1 113 113 GLN C C 13 174.820 0.000 . 1 . . . . . 113 GLN C . 50507 1 1280 . 1 . 1 113 113 GLN CA C 13 54.968 0.226 . 1 . . . . . 113 GLN CA . 50507 1 1281 . 1 . 1 113 113 GLN CB C 13 31.540 0.146 . 1 . . . . . 113 GLN CB . 50507 1 1282 . 1 . 1 113 113 GLN CG C 13 33.799 0.046 . 1 . . . . . 113 GLN CG . 50507 1 1283 . 1 . 1 113 113 GLN N N 15 122.206 0.031 . 1 . . . . . 113 GLN N . 50507 1 1284 . 1 . 1 113 113 GLN NE2 N 15 112.248 0.165 . 1 . . . . . 113 GLN NE2 . 50507 1 1285 . 1 . 1 114 114 GLU H H 1 8.536 0.011 . 1 . . . . . 114 GLU H . 50507 1 1286 . 1 . 1 114 114 GLU HA H 1 4.207 0.008 . 1 . . . . . 114 GLU HA . 50507 1 1287 . 1 . 1 114 114 GLU HB2 H 1 2.110 0.012 . 2 . . . . . 114 GLU HB2 . 50507 1 1288 . 1 . 1 114 114 GLU HB3 H 1 1.888 0.017 . 2 . . . . . 114 GLU HB3 . 50507 1 1289 . 1 . 1 114 114 GLU HG2 H 1 2.290 0.008 . 2 . . . . . 114 GLU HG2 . 50507 1 1290 . 1 . 1 114 114 GLU HG3 H 1 2.393 0.007 . 2 . . . . . 114 GLU HG3 . 50507 1 1291 . 1 . 1 114 114 GLU C C 13 175.844 0.000 . 1 . . . . . 114 GLU C . 50507 1 1292 . 1 . 1 114 114 GLU CA C 13 55.592 0.072 . 1 . . . . . 114 GLU CA . 50507 1 1293 . 1 . 1 114 114 GLU CB C 13 30.908 0.121 . 1 . . . . . 114 GLU CB . 50507 1 1294 . 1 . 1 114 114 GLU CG C 13 36.276 0.083 . 1 . . . . . 114 GLU CG . 50507 1 1295 . 1 . 1 114 114 GLU N N 15 124.853 0.034 . 1 . . . . . 114 GLU N . 50507 1 1296 . 1 . 1 115 115 ALA H H 1 8.441 0.012 . 1 . . . . . 115 ALA H . 50507 1 1297 . 1 . 1 115 115 ALA HA H 1 3.971 0.015 . 1 . . . . . 115 ALA HA . 50507 1 1298 . 1 . 1 115 115 ALA HB1 H 1 1.077 0.007 . 1 . . . . . 115 ALA HB1 . 50507 1 1299 . 1 . 1 115 115 ALA HB2 H 1 1.077 0.007 . 1 . . . . . 115 ALA HB2 . 50507 1 1300 . 1 . 1 115 115 ALA HB3 H 1 1.077 0.007 . 1 . . . . . 115 ALA HB3 . 50507 1 1301 . 1 . 1 115 115 ALA C C 13 177.495 0.000 . 1 . . . . . 115 ALA C . 50507 1 1302 . 1 . 1 115 115 ALA CA C 13 52.118 0.110 . 1 . . . . . 115 ALA CA . 50507 1 1303 . 1 . 1 115 115 ALA CB C 13 18.497 0.038 . 1 . . . . . 115 ALA CB . 50507 1 1304 . 1 . 1 115 115 ALA N N 15 122.544 0.091 . 1 . . . . . 115 ALA N . 50507 1 1305 . 1 . 1 116 116 ILE H H 1 9.614 0.012 . 1 . . . . . 116 ILE H . 50507 1 1306 . 1 . 1 116 116 ILE HA H 1 4.352 0.018 . 1 . . . . . 116 ILE HA . 50507 1 1307 . 1 . 1 116 116 ILE HB H 1 2.012 0.008 . 1 . . . . . 116 ILE HB . 50507 1 1308 . 1 . 1 116 116 ILE HG12 H 1 1.899 0.011 . 1 . . . . . 116 ILE HG12 . 50507 1 1309 . 1 . 1 116 116 ILE HG13 H 1 1.900 0.011 . 1 . . . . . 116 ILE HG13 . 50507 1 1310 . 1 . 1 116 116 ILE HG21 H 1 1.163 0.014 . 1 . . . . . 116 ILE HG21 . 50507 1 1311 . 1 . 1 116 116 ILE HG22 H 1 1.163 0.014 . 1 . . . . . 116 ILE HG22 . 50507 1 1312 . 1 . 1 116 116 ILE HG23 H 1 1.163 0.014 . 1 . . . . . 116 ILE HG23 . 50507 1 1313 . 1 . 1 116 116 ILE HD11 H 1 0.768 0.011 . 1 . . . . . 116 ILE HD11 . 50507 1 1314 . 1 . 1 116 116 ILE HD12 H 1 0.768 0.011 . 1 . . . . . 116 ILE HD12 . 50507 1 1315 . 1 . 1 116 116 ILE HD13 H 1 0.768 0.011 . 1 . . . . . 116 ILE HD13 . 50507 1 1316 . 1 . 1 116 116 ILE CA C 13 59.054 0.318 . 1 . . . . . 116 ILE CA . 50507 1 1317 . 1 . 1 116 116 ILE CB C 13 39.670 0.049 . 1 . . . . . 116 ILE CB . 50507 1 1318 . 1 . 1 116 116 ILE CG1 C 13 27.977 0.179 . 1 . . . . . 116 ILE CG1 . 50507 1 1319 . 1 . 1 116 116 ILE CG2 C 13 17.036 0.062 . 1 . . . . . 116 ILE CG2 . 50507 1 1320 . 1 . 1 116 116 ILE CD1 C 13 14.279 0.021 . 1 . . . . . 116 ILE CD1 . 50507 1 1321 . 1 . 1 116 116 ILE N N 15 126.656 0.048 . 1 . . . . . 116 ILE N . 50507 1 1322 . 1 . 1 117 117 PRO HA H 1 4.389 0.011 . 1 . . . . . 117 PRO HA . 50507 1 1323 . 1 . 1 117 117 PRO HB2 H 1 1.866 0.013 . 2 . . . . . 117 PRO HB2 . 50507 1 1324 . 1 . 1 117 117 PRO HB3 H 1 2.378 0.011 . 2 . . . . . 117 PRO HB3 . 50507 1 1325 . 1 . 1 117 117 PRO HG2 H 1 2.181 0.014 . 2 . . . . . 117 PRO HG2 . 50507 1 1326 . 1 . 1 117 117 PRO HG3 H 1 2.013 0.009 . 2 . . . . . 117 PRO HG3 . 50507 1 1327 . 1 . 1 117 117 PRO HD2 H 1 4.122 0.007 . 2 . . . . . 117 PRO HD2 . 50507 1 1328 . 1 . 1 117 117 PRO HD3 H 1 3.727 0.012 . 2 . . . . . 117 PRO HD3 . 50507 1 1329 . 1 . 1 117 117 PRO C C 13 178.495 0.000 . 1 . . . . . 117 PRO C . 50507 1 1330 . 1 . 1 117 117 PRO CA C 13 63.249 0.057 . 1 . . . . . 117 PRO CA . 50507 1 1331 . 1 . 1 117 117 PRO CB C 13 31.886 0.189 . 1 . . . . . 117 PRO CB . 50507 1 1332 . 1 . 1 117 117 PRO CG C 13 28.059 0.108 . 1 . . . . . 117 PRO CG . 50507 1 1333 . 1 . 1 117 117 PRO CD C 13 50.876 0.103 . 1 . . . . . 117 PRO CD . 50507 1 1334 . 1 . 1 118 118 THR H H 1 8.624 0.009 . 1 . . . . . 118 THR H . 50507 1 1335 . 1 . 1 118 118 THR HA H 1 3.784 0.010 . 1 . . . . . 118 THR HA . 50507 1 1336 . 1 . 1 118 118 THR HB H 1 3.791 0.011 . 1 . . . . . 118 THR HB . 50507 1 1337 . 1 . 1 118 118 THR HG21 H 1 0.584 0.016 . 1 . . . . . 118 THR HG21 . 50507 1 1338 . 1 . 1 118 118 THR HG22 H 1 0.584 0.016 . 1 . . . . . 118 THR HG22 . 50507 1 1339 . 1 . 1 118 118 THR HG23 H 1 0.584 0.016 . 1 . . . . . 118 THR HG23 . 50507 1 1340 . 1 . 1 118 118 THR C C 13 173.594 0.000 . 1 . . . . . 118 THR C . 50507 1 1341 . 1 . 1 118 118 THR CA C 13 65.763 0.054 . 1 . . . . . 118 THR CA . 50507 1 1342 . 1 . 1 118 118 THR CB C 13 67.946 0.086 . 1 . . . . . 118 THR CB . 50507 1 1343 . 1 . 1 118 118 THR CG2 C 13 24.581 0.036 . 1 . . . . . 118 THR CG2 . 50507 1 1344 . 1 . 1 118 118 THR N N 15 126.956 0.069 . 1 . . . . . 118 THR N . 50507 1 1345 . 1 . 1 119 119 ARG H H 1 8.934 0.009 . 1 . . . . . 119 ARG H . 50507 1 1346 . 1 . 1 119 119 ARG HA H 1 4.263 0.009 . 1 . . . . . 119 ARG HA . 50507 1 1347 . 1 . 1 119 119 ARG HB2 H 1 1.722 0.008 . 2 . . . . . 119 ARG HB2 . 50507 1 1348 . 1 . 1 119 119 ARG HB3 H 1 1.614 0.020 . 2 . . . . . 119 ARG HB3 . 50507 1 1349 . 1 . 1 119 119 ARG HG2 H 1 1.552 0.024 . 2 . . . . . 119 ARG HG2 . 50507 1 1350 . 1 . 1 119 119 ARG HG3 H 1 1.501 0.015 . 2 . . . . . 119 ARG HG3 . 50507 1 1351 . 1 . 1 119 119 ARG HD2 H 1 3.176 0.013 . 1 . . . . . 119 ARG HD2 . 50507 1 1352 . 1 . 1 119 119 ARG HD3 H 1 3.175 0.012 . 1 . . . . . 119 ARG HD3 . 50507 1 1353 . 1 . 1 119 119 ARG C C 13 172.821 0.000 . 1 . . . . . 119 ARG C . 50507 1 1354 . 1 . 1 119 119 ARG CA C 13 54.309 0.111 . 1 . . . . . 119 ARG CA . 50507 1 1355 . 1 . 1 119 119 ARG CB C 13 33.648 0.052 . 1 . . . . . 119 ARG CB . 50507 1 1356 . 1 . 1 119 119 ARG CG C 13 27.385 0.135 . 1 . . . . . 119 ARG CG . 50507 1 1357 . 1 . 1 119 119 ARG CD C 13 43.476 0.017 . 1 . . . . . 119 ARG CD . 50507 1 1358 . 1 . 1 119 119 ARG N N 15 130.235 0.058 . 1 . . . . . 119 ARG N . 50507 1 1359 . 1 . 1 120 120 PHE H H 1 8.583 0.009 . 1 . . . . . 120 PHE H . 50507 1 1360 . 1 . 1 120 120 PHE HA H 1 5.079 0.009 . 1 . . . . . 120 PHE HA . 50507 1 1361 . 1 . 1 120 120 PHE HB2 H 1 3.363 0.008 . 2 . . . . . 120 PHE HB2 . 50507 1 1362 . 1 . 1 120 120 PHE HB3 H 1 2.462 0.015 . 2 . . . . . 120 PHE HB3 . 50507 1 1363 . 1 . 1 120 120 PHE HD1 H 1 6.999 0.010 . 1 . . . . . 120 PHE HD1 . 50507 1 1364 . 1 . 1 120 120 PHE HD2 H 1 6.999 0.010 . 1 . . . . . 120 PHE HD2 . 50507 1 1365 . 1 . 1 120 120 PHE HE1 H 1 7.244 0.010 . 1 . . . . . 120 PHE HE1 . 50507 1 1366 . 1 . 1 120 120 PHE HE2 H 1 7.244 0.010 . 1 . . . . . 120 PHE HE2 . 50507 1 1367 . 1 . 1 120 120 PHE CA C 13 54.922 0.018 . 1 . . . . . 120 PHE CA . 50507 1 1368 . 1 . 1 120 120 PHE CB C 13 40.379 0.022 . 1 . . . . . 120 PHE CB . 50507 1 1369 . 1 . 1 120 120 PHE CD1 C 13 131.851 0.102 . 1 . . . . . 120 PHE CD1 . 50507 1 1370 . 1 . 1 120 120 PHE CD2 C 13 131.851 0.102 . 1 . . . . . 120 PHE CD2 . 50507 1 1371 . 1 . 1 120 120 PHE CE1 C 13 132.885 0.002 . 1 . . . . . 120 PHE CE1 . 50507 1 1372 . 1 . 1 120 120 PHE CE2 C 13 132.885 0.002 . 1 . . . . . 120 PHE CE2 . 50507 1 1373 . 1 . 1 120 120 PHE N N 15 117.414 0.038 . 1 . . . . . 120 PHE N . 50507 1 1374 . 1 . 1 121 121 PRO HA H 1 4.676 0.013 . 1 . . . . . 121 PRO HA . 50507 1 1375 . 1 . 1 121 121 PRO HB2 H 1 2.496 0.014 . 2 . . . . . 121 PRO HB2 . 50507 1 1376 . 1 . 1 121 121 PRO HB3 H 1 1.824 0.013 . 2 . . . . . 121 PRO HB3 . 50507 1 1377 . 1 . 1 121 121 PRO HG2 H 1 2.110 0.009 . 1 . . . . . 121 PRO HG2 . 50507 1 1378 . 1 . 1 121 121 PRO HG3 H 1 2.110 0.009 . 1 . . . . . 121 PRO HG3 . 50507 1 1379 . 1 . 1 121 121 PRO HD2 H 1 3.830 0.012 . 1 . . . . . 121 PRO HD2 . 50507 1 1380 . 1 . 1 121 121 PRO HD3 H 1 3.831 0.012 . 1 . . . . . 121 PRO HD3 . 50507 1 1381 . 1 . 1 121 121 PRO CA C 13 61.682 0.000 . 1 . . . . . 121 PRO CA . 50507 1 1382 . 1 . 1 121 121 PRO CB C 13 30.667 0.027 . 1 . . . . . 121 PRO CB . 50507 1 1383 . 1 . 1 121 121 PRO CG C 13 27.791 0.167 . 1 . . . . . 121 PRO CG . 50507 1 1384 . 1 . 1 121 121 PRO CD C 13 50.832 0.093 . 1 . . . . . 121 PRO CD . 50507 1 1385 . 1 . 1 122 122 PRO HA H 1 4.412 0.007 . 1 . . . . . 122 PRO HA . 50507 1 1386 . 1 . 1 122 122 PRO HB2 H 1 1.899 0.008 . 2 . . . . . 122 PRO HB2 . 50507 1 1387 . 1 . 1 122 122 PRO HB3 H 1 2.373 0.000 . 2 . . . . . 122 PRO HB3 . 50507 1 1388 . 1 . 1 122 122 PRO HG2 H 1 2.153 0.000 . 2 . . . . . 122 PRO HG2 . 50507 1 1389 . 1 . 1 122 122 PRO HG3 H 1 2.247 0.000 . 2 . . . . . 122 PRO HG3 . 50507 1 1390 . 1 . 1 122 122 PRO HD2 H 1 3.901 0.000 . 2 . . . . . 122 PRO HD2 . 50507 1 1391 . 1 . 1 122 122 PRO HD3 H 1 3.663 0.000 . 2 . . . . . 122 PRO HD3 . 50507 1 1392 . 1 . 1 122 122 PRO CA C 13 63.926 0.077 . 1 . . . . . 122 PRO CA . 50507 1 1393 . 1 . 1 122 122 PRO CB C 13 31.945 0.000 . 1 . . . . . 122 PRO CB . 50507 1 1394 . 1 . 1 122 122 PRO CG C 13 27.522 0.000 . 1 . . . . . 122 PRO CG . 50507 1 1395 . 1 . 1 122 122 PRO CD C 13 50.790 0.003 . 1 . . . . . 122 PRO CD . 50507 1 1396 . 1 . 1 123 123 GLY HA2 H 1 4.209 0.005 . 2 . . . . . 123 GLY HA2 . 50507 1 1397 . 1 . 1 123 123 GLY HA3 H 1 3.582 0.008 . 2 . . . . . 123 GLY HA3 . 50507 1 1398 . 1 . 1 123 123 GLY C C 13 174.596 0.000 . 1 . . . . . 123 GLY C . 50507 1 1399 . 1 . 1 123 123 GLY CA C 13 44.623 0.034 . 1 . . . . . 123 GLY CA . 50507 1 1400 . 1 . 1 124 124 THR H H 1 7.477 0.008 . 1 . . . . . 124 THR H . 50507 1 1401 . 1 . 1 124 124 THR HA H 1 3.845 0.018 . 1 . . . . . 124 THR HA . 50507 1 1402 . 1 . 1 124 124 THR HB H 1 3.849 0.017 . 1 . . . . . 124 THR HB . 50507 1 1403 . 1 . 1 124 124 THR HG21 H 1 0.619 0.007 . 1 . . . . . 124 THR HG21 . 50507 1 1404 . 1 . 1 124 124 THR HG22 H 1 0.619 0.007 . 1 . . . . . 124 THR HG22 . 50507 1 1405 . 1 . 1 124 124 THR HG23 H 1 0.619 0.007 . 1 . . . . . 124 THR HG23 . 50507 1 1406 . 1 . 1 124 124 THR C C 13 173.804 0.000 . 1 . . . . . 124 THR C . 50507 1 1407 . 1 . 1 124 124 THR CA C 13 64.221 0.200 . 1 . . . . . 124 THR CA . 50507 1 1408 . 1 . 1 124 124 THR CB C 13 68.869 0.110 . 1 . . . . . 124 THR CB . 50507 1 1409 . 1 . 1 124 124 THR CG2 C 13 19.946 0.000 . 1 . . . . . 124 THR CG2 . 50507 1 1410 . 1 . 1 124 124 THR N N 15 117.241 0.032 . 1 . . . . . 124 THR N . 50507 1 1411 . 1 . 1 125 125 ILE H H 1 8.171 0.005 . 1 . . . . . 125 ILE H . 50507 1 1412 . 1 . 1 125 125 ILE HA H 1 4.074 0.009 . 1 . . . . . 125 ILE HA . 50507 1 1413 . 1 . 1 125 125 ILE HB H 1 1.805 0.009 . 1 . . . . . 125 ILE HB . 50507 1 1414 . 1 . 1 125 125 ILE HG12 H 1 1.500 0.015 . 2 . . . . . 125 ILE HG12 . 50507 1 1415 . 1 . 1 125 125 ILE HG13 H 1 1.172 0.015 . 2 . . . . . 125 ILE HG13 . 50507 1 1416 . 1 . 1 125 125 ILE HG21 H 1 0.703 0.014 . 1 . . . . . 125 ILE HG21 . 50507 1 1417 . 1 . 1 125 125 ILE HG22 H 1 0.703 0.014 . 1 . . . . . 125 ILE HG22 . 50507 1 1418 . 1 . 1 125 125 ILE HG23 H 1 0.703 0.014 . 1 . . . . . 125 ILE HG23 . 50507 1 1419 . 1 . 1 125 125 ILE HD11 H 1 0.762 0.009 . 1 . . . . . 125 ILE HD11 . 50507 1 1420 . 1 . 1 125 125 ILE HD12 H 1 0.762 0.009 . 1 . . . . . 125 ILE HD12 . 50507 1 1421 . 1 . 1 125 125 ILE HD13 H 1 0.762 0.009 . 1 . . . . . 125 ILE HD13 . 50507 1 1422 . 1 . 1 125 125 ILE C C 13 175.729 0.000 . 1 . . . . . 125 ILE C . 50507 1 1423 . 1 . 1 125 125 ILE CA C 13 59.619 0.077 . 1 . . . . . 125 ILE CA . 50507 1 1424 . 1 . 1 125 125 ILE CB C 13 37.418 0.084 . 1 . . . . . 125 ILE CB . 50507 1 1425 . 1 . 1 125 125 ILE CG1 C 13 26.937 0.321 . 1 . . . . . 125 ILE CG1 . 50507 1 1426 . 1 . 1 125 125 ILE CG2 C 13 17.116 0.055 . 1 . . . . . 125 ILE CG2 . 50507 1 1427 . 1 . 1 125 125 ILE CD1 C 13 11.792 0.071 . 1 . . . . . 125 ILE CD1 . 50507 1 1428 . 1 . 1 125 125 ILE N N 15 129.486 0.028 . 1 . . . . . 125 ILE N . 50507 1 1429 . 1 . 1 126 126 LEU H H 1 8.584 0.014 . 1 . . . . . 126 LEU H . 50507 1 1430 . 1 . 1 126 126 LEU HA H 1 3.828 0.015 . 1 . . . . . 126 LEU HA . 50507 1 1431 . 1 . 1 126 126 LEU HB2 H 1 1.475 0.008 . 2 . . . . . 126 LEU HB2 . 50507 1 1432 . 1 . 1 126 126 LEU HB3 H 1 1.219 0.012 . 2 . . . . . 126 LEU HB3 . 50507 1 1433 . 1 . 1 126 126 LEU HG H 1 1.481 0.011 . 1 . . . . . 126 LEU HG . 50507 1 1434 . 1 . 1 126 126 LEU HD11 H 1 0.682 0.008 . 2 . . . . . 126 LEU HD11 . 50507 1 1435 . 1 . 1 126 126 LEU HD12 H 1 0.682 0.008 . 2 . . . . . 126 LEU HD12 . 50507 1 1436 . 1 . 1 126 126 LEU HD13 H 1 0.682 0.008 . 2 . . . . . 126 LEU HD13 . 50507 1 1437 . 1 . 1 126 126 LEU HD21 H 1 0.852 0.014 . 2 . . . . . 126 LEU HD21 . 50507 1 1438 . 1 . 1 126 126 LEU HD22 H 1 0.852 0.014 . 2 . . . . . 126 LEU HD22 . 50507 1 1439 . 1 . 1 126 126 LEU HD23 H 1 0.852 0.014 . 2 . . . . . 126 LEU HD23 . 50507 1 1440 . 1 . 1 126 126 LEU CA C 13 52.724 0.047 . 1 . . . . . 126 LEU CA . 50507 1 1441 . 1 . 1 126 126 LEU CB C 13 41.325 0.004 . 1 . . . . . 126 LEU CB . 50507 1 1442 . 1 . 1 126 126 LEU CG C 13 27.563 0.225 . 1 . . . . . 126 LEU CG . 50507 1 1443 . 1 . 1 126 126 LEU CD1 C 13 24.599 0.000 . 2 . . . . . 126 LEU CD1 . 50507 1 1444 . 1 . 1 126 126 LEU CD2 C 13 25.464 0.080 . 2 . . . . . 126 LEU CD2 . 50507 1 1445 . 1 . 1 126 126 LEU N N 15 132.302 0.107 . 1 . . . . . 126 LEU N . 50507 1 1446 . 1 . 1 127 127 PRO HA H 1 3.970 0.019 . 1 . . . . . 127 PRO HA . 50507 1 1447 . 1 . 1 127 127 PRO HB2 H 1 1.444 0.017 . 1 . . . . . 127 PRO HB2 . 50507 1 1448 . 1 . 1 127 127 PRO HB3 H 1 1.443 0.016 . 1 . . . . . 127 PRO HB3 . 50507 1 1449 . 1 . 1 127 127 PRO HG2 H 1 0.757 0.016 . 2 . . . . . 127 PRO HG2 . 50507 1 1450 . 1 . 1 127 127 PRO HG3 H 1 -0.088 0.013 . 2 . . . . . 127 PRO HG3 . 50507 1 1451 . 1 . 1 127 127 PRO HD2 H 1 2.417 0.012 . 2 . . . . . 127 PRO HD2 . 50507 1 1452 . 1 . 1 127 127 PRO HD3 H 1 1.974 0.015 . 2 . . . . . 127 PRO HD3 . 50507 1 1453 . 1 . 1 127 127 PRO C C 13 176.293 0.000 . 1 . . . . . 127 PRO C . 50507 1 1454 . 1 . 1 127 127 PRO CA C 13 61.725 0.135 . 1 . . . . . 127 PRO CA . 50507 1 1455 . 1 . 1 127 127 PRO CB C 13 29.808 0.062 . 1 . . . . . 127 PRO CB . 50507 1 1456 . 1 . 1 127 127 PRO CG C 13 26.204 0.062 . 1 . . . . . 127 PRO CG . 50507 1 1457 . 1 . 1 127 127 PRO CD C 13 48.612 0.010 . 1 . . . . . 127 PRO CD . 50507 1 1458 . 1 . 1 128 128 GLN H H 1 8.214 0.013 . 1 . . . . . 128 GLN H . 50507 1 1459 . 1 . 1 128 128 GLN HA H 1 4.073 0.009 . 1 . . . . . 128 GLN HA . 50507 1 1460 . 1 . 1 128 128 GLN HB2 H 1 1.878 0.016 . 2 . . . . . 128 GLN HB2 . 50507 1 1461 . 1 . 1 128 128 GLN HB3 H 1 1.886 0.019 . 2 . . . . . 128 GLN HB3 . 50507 1 1462 . 1 . 1 128 128 GLN HG2 H 1 2.331 0.024 . 2 . . . . . 128 GLN HG2 . 50507 1 1463 . 1 . 1 128 128 GLN HG3 H 1 2.383 0.031 . 2 . . . . . 128 GLN HG3 . 50507 1 1464 . 1 . 1 128 128 GLN HE21 H 1 7.606 0.027 . 1 . . . . . 128 GLN HE21 . 50507 1 1465 . 1 . 1 128 128 GLN HE22 H 1 6.905 0.009 . 1 . . . . . 128 GLN HE22 . 50507 1 1466 . 1 . 1 128 128 GLN C C 13 177.321 0.000 . 1 . . . . . 128 GLN C . 50507 1 1467 . 1 . 1 128 128 GLN CA C 13 56.774 0.111 . 1 . . . . . 128 GLN CA . 50507 1 1468 . 1 . 1 128 128 GLN CB C 13 28.566 0.199 . 1 . . . . . 128 GLN CB . 50507 1 1469 . 1 . 1 128 128 GLN CG C 13 33.830 0.059 . 1 . . . . . 128 GLN CG . 50507 1 1470 . 1 . 1 128 128 GLN N N 15 124.251 0.066 . 1 . . . . . 128 GLN N . 50507 1 1471 . 1 . 1 128 128 GLN NE2 N 15 112.543 0.209 . 1 . . . . . 128 GLN NE2 . 50507 1 1472 . 1 . 1 129 129 GLY H H 1 8.970 0.011 . 1 . . . . . 129 GLY H . 50507 1 1473 . 1 . 1 129 129 GLY HA2 H 1 3.732 0.015 . 2 . . . . . 129 GLY HA2 . 50507 1 1474 . 1 . 1 129 129 GLY HA3 H 1 2.696 0.015 . 2 . . . . . 129 GLY HA3 . 50507 1 1475 . 1 . 1 129 129 GLY C C 13 172.373 0.000 . 1 . . . . . 129 GLY C . 50507 1 1476 . 1 . 1 129 129 GLY CA C 13 45.232 0.062 . 1 . . . . . 129 GLY CA . 50507 1 1477 . 1 . 1 129 129 GLY N N 15 109.235 0.038 . 1 . . . . . 129 GLY N . 50507 1 1478 . 1 . 1 130 130 TYR H H 1 7.245 0.009 . 1 . . . . . 130 TYR H . 50507 1 1479 . 1 . 1 130 130 TYR HA H 1 5.234 0.010 . 1 . . . . . 130 TYR HA . 50507 1 1480 . 1 . 1 130 130 TYR HB2 H 1 2.466 0.017 . 2 . . . . . 130 TYR HB2 . 50507 1 1481 . 1 . 1 130 130 TYR HB3 H 1 2.521 0.023 . 2 . . . . . 130 TYR HB3 . 50507 1 1482 . 1 . 1 130 130 TYR HD1 H 1 7.004 0.009 . 1 . . . . . 130 TYR HD1 . 50507 1 1483 . 1 . 1 130 130 TYR HD2 H 1 7.004 0.009 . 1 . . . . . 130 TYR HD2 . 50507 1 1484 . 1 . 1 130 130 TYR HE1 H 1 6.702 0.019 . 1 . . . . . 130 TYR HE1 . 50507 1 1485 . 1 . 1 130 130 TYR HE2 H 1 6.702 0.019 . 1 . . . . . 130 TYR HE2 . 50507 1 1486 . 1 . 1 130 130 TYR C C 13 174.283 0.000 . 1 . . . . . 130 TYR C . 50507 1 1487 . 1 . 1 130 130 TYR CA C 13 56.737 0.050 . 1 . . . . . 130 TYR CA . 50507 1 1488 . 1 . 1 130 130 TYR CB C 13 40.598 0.082 . 1 . . . . . 130 TYR CB . 50507 1 1489 . 1 . 1 130 130 TYR CD1 C 13 131.909 0.119 . 1 . . . . . 130 TYR CD1 . 50507 1 1490 . 1 . 1 130 130 TYR CD2 C 13 131.909 0.119 . 1 . . . . . 130 TYR CD2 . 50507 1 1491 . 1 . 1 130 130 TYR CE1 C 13 118.186 0.151 . 1 . . . . . 130 TYR CE1 . 50507 1 1492 . 1 . 1 130 130 TYR CE2 C 13 118.186 0.151 . 1 . . . . . 130 TYR CE2 . 50507 1 1493 . 1 . 1 130 130 TYR N N 15 118.137 0.026 . 1 . . . . . 130 TYR N . 50507 1 1494 . 1 . 1 131 131 TYR H H 1 9.289 0.010 . 1 . . . . . 131 TYR H . 50507 1 1495 . 1 . 1 131 131 TYR HA H 1 5.018 0.006 . 1 . . . . . 131 TYR HA . 50507 1 1496 . 1 . 1 131 131 TYR HB2 H 1 2.851 0.013 . 2 . . . . . 131 TYR HB2 . 50507 1 1497 . 1 . 1 131 131 TYR HB3 H 1 2.990 0.017 . 2 . . . . . 131 TYR HB3 . 50507 1 1498 . 1 . 1 131 131 TYR HD1 H 1 6.887 0.013 . 1 . . . . . 131 TYR HD1 . 50507 1 1499 . 1 . 1 131 131 TYR HD2 H 1 6.887 0.013 . 1 . . . . . 131 TYR HD2 . 50507 1 1500 . 1 . 1 131 131 TYR HE1 H 1 6.662 0.003 . 1 . . . . . 131 TYR HE1 . 50507 1 1501 . 1 . 1 131 131 TYR HE2 H 1 6.662 0.003 . 1 . . . . . 131 TYR HE2 . 50507 1 1502 . 1 . 1 131 131 TYR C C 13 173.156 0.000 . 1 . . . . . 131 TYR C . 50507 1 1503 . 1 . 1 131 131 TYR CA C 13 55.928 0.076 . 1 . . . . . 131 TYR CA . 50507 1 1504 . 1 . 1 131 131 TYR CB C 13 41.522 0.242 . 1 . . . . . 131 TYR CB . 50507 1 1505 . 1 . 1 131 131 TYR CD1 C 13 133.515 0.122 . 1 . . . . . 131 TYR CD1 . 50507 1 1506 . 1 . 1 131 131 TYR CD2 C 13 133.515 0.122 . 1 . . . . . 131 TYR CD2 . 50507 1 1507 . 1 . 1 131 131 TYR CE1 C 13 118.027 0.010 . 1 . . . . . 131 TYR CE1 . 50507 1 1508 . 1 . 1 131 131 TYR CE2 C 13 118.027 0.010 . 1 . . . . . 131 TYR CE2 . 50507 1 1509 . 1 . 1 131 131 TYR N N 15 119.564 0.080 . 1 . . . . . 131 TYR N . 50507 1 1510 . 1 . 1 132 132 VAL H H 1 8.797 0.007 . 1 . . . . . 132 VAL H . 50507 1 1511 . 1 . 1 132 132 VAL HA H 1 4.112 0.012 . 1 . . . . . 132 VAL HA . 50507 1 1512 . 1 . 1 132 132 VAL HB H 1 2.007 0.016 . 1 . . . . . 132 VAL HB . 50507 1 1513 . 1 . 1 132 132 VAL HG11 H 1 1.027 0.015 . 2 . . . . . 132 VAL HG11 . 50507 1 1514 . 1 . 1 132 132 VAL HG12 H 1 1.027 0.015 . 2 . . . . . 132 VAL HG12 . 50507 1 1515 . 1 . 1 132 132 VAL HG13 H 1 1.027 0.015 . 2 . . . . . 132 VAL HG13 . 50507 1 1516 . 1 . 1 132 132 VAL HG21 H 1 1.025 0.013 . 2 . . . . . 132 VAL HG21 . 50507 1 1517 . 1 . 1 132 132 VAL HG22 H 1 1.025 0.013 . 2 . . . . . 132 VAL HG22 . 50507 1 1518 . 1 . 1 132 132 VAL HG23 H 1 1.025 0.013 . 2 . . . . . 132 VAL HG23 . 50507 1 1519 . 1 . 1 132 132 VAL C C 13 176.073 0.000 . 1 . . . . . 132 VAL C . 50507 1 1520 . 1 . 1 132 132 VAL CA C 13 62.739 0.033 . 1 . . . . . 132 VAL CA . 50507 1 1521 . 1 . 1 132 132 VAL CB C 13 31.948 0.093 . 1 . . . . . 132 VAL CB . 50507 1 1522 . 1 . 1 132 132 VAL CG1 C 13 22.225 0.125 . 2 . . . . . 132 VAL CG1 . 50507 1 1523 . 1 . 1 132 132 VAL CG2 C 13 22.146 0.221 . 2 . . . . . 132 VAL CG2 . 50507 1 1524 . 1 . 1 132 132 VAL N N 15 124.047 0.093 . 1 . . . . . 132 VAL N . 50507 1 1525 . 1 . 1 133 133 GLU H H 1 8.909 0.004 . 1 . . . . . 133 GLU H . 50507 1 1526 . 1 . 1 133 133 GLU HA H 1 4.283 0.017 . 1 . . . . . 133 GLU HA . 50507 1 1527 . 1 . 1 133 133 GLU C C 13 178.155 0.000 . 1 . . . . . 133 GLU C . 50507 1 1528 . 1 . 1 133 133 GLU CA C 13 57.374 0.102 . 1 . . . . . 133 GLU CA . 50507 1 1529 . 1 . 1 133 133 GLU CB C 13 29.571 0.124 . 1 . . . . . 133 GLU CB . 50507 1 1530 . 1 . 1 133 133 GLU N N 15 128.524 0.033 . 1 . . . . . 133 GLU N . 50507 1 1531 . 1 . 1 134 134 GLY H H 1 8.993 0.010 . 1 . . . . . 134 GLY H . 50507 1 1532 . 1 . 1 134 134 GLY HA2 H 1 4.031 0.021 . 2 . . . . . 134 GLY HA2 . 50507 1 1533 . 1 . 1 134 134 GLY HA3 H 1 4.152 0.011 . 2 . . . . . 134 GLY HA3 . 50507 1 1534 . 1 . 1 134 134 GLY C C 13 174.201 0.020 . 1 . . . . . 134 GLY C . 50507 1 1535 . 1 . 1 134 134 GLY CA C 13 45.370 0.187 . 1 . . . . . 134 GLY CA . 50507 1 1536 . 1 . 1 134 134 GLY N N 15 112.235 0.070 . 1 . . . . . 134 GLY N . 50507 1 1537 . 1 . 1 135 135 SER H H 1 8.222 0.004 . 1 . . . . . 135 SER H . 50507 1 1538 . 1 . 1 135 135 SER HA H 1 4.508 0.009 . 1 . . . . . 135 SER HA . 50507 1 1539 . 1 . 1 135 135 SER HB2 H 1 3.967 0.012 . 2 . . . . . 135 SER HB2 . 50507 1 1540 . 1 . 1 135 135 SER HB3 H 1 3.873 0.016 . 2 . . . . . 135 SER HB3 . 50507 1 1541 . 1 . 1 135 135 SER C C 13 175.122 0.000 . 1 . . . . . 135 SER C . 50507 1 1542 . 1 . 1 135 135 SER CA C 13 58.616 0.084 . 1 . . . . . 135 SER CA . 50507 1 1543 . 1 . 1 135 135 SER CB C 13 64.275 0.165 . 1 . . . . . 135 SER CB . 50507 1 1544 . 1 . 1 135 135 SER N N 15 114.598 0.059 . 1 . . . . . 135 SER N . 50507 1 1545 . 1 . 1 136 136 GLY H H 1 8.658 0.014 . 1 . . . . . 136 GLY H . 50507 1 1546 . 1 . 1 136 136 GLY HA2 H 1 3.977 0.008 . 1 . . . . . 136 GLY HA2 . 50507 1 1547 . 1 . 1 136 136 GLY HA3 H 1 3.974 0.009 . 1 . . . . . 136 GLY HA3 . 50507 1 1548 . 1 . 1 136 136 GLY C C 13 173.840 0.010 . 1 . . . . . 136 GLY C . 50507 1 1549 . 1 . 1 136 136 GLY CA C 13 45.417 0.045 . 1 . . . . . 136 GLY CA . 50507 1 1550 . 1 . 1 136 136 GLY N N 15 111.060 0.045 . 1 . . . . . 136 GLY N . 50507 1 1551 . 1 . 1 137 137 ARG H H 1 8.169 0.011 . 1 . . . . . 137 ARG H . 50507 1 1552 . 1 . 1 137 137 ARG HA H 1 4.421 0.008 . 1 . . . . . 137 ARG HA . 50507 1 1553 . 1 . 1 137 137 ARG HB2 H 1 1.713 0.009 . 2 . . . . . 137 ARG HB2 . 50507 1 1554 . 1 . 1 137 137 ARG HB3 H 1 1.871 0.011 . 2 . . . . . 137 ARG HB3 . 50507 1 1555 . 1 . 1 137 137 ARG HG2 H 1 1.583 0.021 . 1 . . . . . 137 ARG HG2 . 50507 1 1556 . 1 . 1 137 137 ARG HG3 H 1 1.584 0.020 . 1 . . . . . 137 ARG HG3 . 50507 1 1557 . 1 . 1 137 137 ARG HD2 H 1 3.112 0.005 . 1 . . . . . 137 ARG HD2 . 50507 1 1558 . 1 . 1 137 137 ARG HD3 H 1 3.112 0.005 . 1 . . . . . 137 ARG HD3 . 50507 1 1559 . 1 . 1 137 137 ARG C C 13 175.476 0.000 . 1 . . . . . 137 ARG C . 50507 1 1560 . 1 . 1 137 137 ARG CA C 13 55.882 0.126 . 1 . . . . . 137 ARG CA . 50507 1 1561 . 1 . 1 137 137 ARG CB C 13 31.036 0.145 . 1 . . . . . 137 ARG CB . 50507 1 1562 . 1 . 1 137 137 ARG CG C 13 26.954 0.049 . 1 . . . . . 137 ARG CG . 50507 1 1563 . 1 . 1 137 137 ARG CD C 13 43.335 0.082 . 1 . . . . . 137 ARG CD . 50507 1 1564 . 1 . 1 137 137 ARG N N 15 120.806 0.038 . 1 . . . . . 137 ARG N . 50507 1 1565 . 1 . 1 138 138 SER H H 1 7.974 0.004 . 1 . . . . . 138 SER H . 50507 1 1566 . 1 . 1 138 138 SER HA H 1 4.254 0.007 . 1 . . . . . 138 SER HA . 50507 1 1567 . 1 . 1 138 138 SER HB2 H 1 3.822 0.015 . 1 . . . . . 138 SER HB2 . 50507 1 1568 . 1 . 1 138 138 SER HB3 H 1 3.822 0.015 . 1 . . . . . 138 SER HB3 . 50507 1 1569 . 1 . 1 138 138 SER CA C 13 60.012 0.040 . 1 . . . . . 138 SER CA . 50507 1 1570 . 1 . 1 138 138 SER CB C 13 64.801 0.114 . 1 . . . . . 138 SER CB . 50507 1 1571 . 1 . 1 138 138 SER N N 15 122.619 0.013 . 1 . . . . . 138 SER N . 50507 1 stop_ save_