data_51506 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51506 _Entry.Title ; Solid-state NMR 1H-13C-15N assignment of African cichlid nackednavirus capsid protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-06-29 _Entry.Accession_date 2022-06-29 _Entry.Last_release_date 2022-06-29 _Entry.Original_release_date 2022-06-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _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 'Solid-state NMR 1H-13C-15N assignment of African cichlid nackednavirus capsid protein at pH 7.5' _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 Sara Pfister . . . 0000-0002-5827-4261 51506 2 Beat Meier . H. . 0000-0002-9107-4464 51506 3 Thomas Wiegand . . . 0000-0003-3655-6150 51506 4 Anja Bockmann . . . 0000-0001-8149-7941 51506 5 Alexander Malar . A. . 0000-0003-1026-9583 51506 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'ETH Zurich' . 51506 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51506 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 443 51506 '15N chemical shifts' 108 51506 '1H chemical shifts' 172 51506 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 . . 2023-06-30 . original BMRB . 51506 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51506 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36949039 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural conservation of HBV-like capsid proteins over hundreds of millions of years despite the shift from non-enveloped to enveloped life-style ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 1574 _Citation.Page_last 1574 _Citation.Year 2023 _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 Sara Pfister . . . . 51506 1 2 Julius Rabl . . . . 51506 1 3 Thomas Wiegand . . . . 51506 1 4 Simone Mattei . . . . 51506 1 5 Alexander Malar . A. . . 51506 1 6 Lauriane Lecoq . . . . 51506 1 7 Stefan Seitz . . . . 51506 1 8 Ralf Bartenschlager . . . . 51506 1 9 Anja Bockmann . . . . 51506 1 10 Michael Nassal . . . . 51506 1 11 Daniel Boehringer . . . . 51506 1 12 Beat Meier . H. . . 51506 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Nackednavirus; Hepatitis B virus; cryo-EM; solid-state NMR' 51506 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51506 _Assembly.ID 1 _Assembly.Name 'African cichlid nackednavirus capsid' _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 3567274 _Assembly.Enzyme_commission_number . _Assembly.Details 'T=3 icosahedral particle' _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 'African cichlid nackednavirus capsid' 1 $entity_1 . . yes native no no . . . 51506 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'viral capsid' 51506 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51506 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGTFIELVKNMKGYKELLLP MEMVPLPAVVLKHVKLILTS QKEHQPWMTEMALKADQCLI HKATLDLAGKATSNEAKPLI EAMQQIILAMTRELWGQIQR HHYGIVQVEHYVKQITLWQD TPQAFRGDQPKPPSFRSDGP TRGQGSFRPFFRGRGRGRGR GRGSQSPARKGPLPK ; _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 175 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3567274 _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 'assembles into capsid' 51506 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 0 MET . 51506 1 2 1 GLY . 51506 1 3 2 THR . 51506 1 4 3 PHE . 51506 1 5 4 ILE . 51506 1 6 5 GLU . 51506 1 7 6 LEU . 51506 1 8 7 VAL . 51506 1 9 8 LYS . 51506 1 10 9 ASN . 51506 1 11 10 MET . 51506 1 12 11 LYS . 51506 1 13 12 GLY . 51506 1 14 13 TYR . 51506 1 15 14 LYS . 51506 1 16 15 GLU . 51506 1 17 16 LEU . 51506 1 18 17 LEU . 51506 1 19 18 LEU . 51506 1 20 19 PRO . 51506 1 21 20 MET . 51506 1 22 21 GLU . 51506 1 23 22 MET . 51506 1 24 23 VAL . 51506 1 25 24 PRO . 51506 1 26 25 LEU . 51506 1 27 26 PRO . 51506 1 28 27 ALA . 51506 1 29 28 VAL . 51506 1 30 29 VAL . 51506 1 31 30 LEU . 51506 1 32 31 LYS . 51506 1 33 32 HIS . 51506 1 34 33 VAL . 51506 1 35 34 LYS . 51506 1 36 35 LEU . 51506 1 37 36 ILE . 51506 1 38 37 LEU . 51506 1 39 38 THR . 51506 1 40 39 SER . 51506 1 41 40 GLN . 51506 1 42 41 LYS . 51506 1 43 42 GLU . 51506 1 44 43 HIS . 51506 1 45 44 GLN . 51506 1 46 45 PRO . 51506 1 47 46 TRP . 51506 1 48 47 MET . 51506 1 49 48 THR . 51506 1 50 49 GLU . 51506 1 51 50 MET . 51506 1 52 51 ALA . 51506 1 53 52 LEU . 51506 1 54 53 LYS . 51506 1 55 54 ALA . 51506 1 56 55 ASP . 51506 1 57 56 GLN . 51506 1 58 57 CYS . 51506 1 59 58 LEU . 51506 1 60 59 ILE . 51506 1 61 60 HIS . 51506 1 62 61 LYS . 51506 1 63 62 ALA . 51506 1 64 63 THR . 51506 1 65 64 LEU . 51506 1 66 65 ASP . 51506 1 67 66 LEU . 51506 1 68 67 ALA . 51506 1 69 68 GLY . 51506 1 70 69 LYS . 51506 1 71 70 ALA . 51506 1 72 71 THR . 51506 1 73 72 SER . 51506 1 74 73 ASN . 51506 1 75 74 GLU . 51506 1 76 75 ALA . 51506 1 77 76 LYS . 51506 1 78 77 PRO . 51506 1 79 78 LEU . 51506 1 80 79 ILE . 51506 1 81 80 GLU . 51506 1 82 81 ALA . 51506 1 83 82 MET . 51506 1 84 83 GLN . 51506 1 85 84 GLN . 51506 1 86 85 ILE . 51506 1 87 86 ILE . 51506 1 88 87 LEU . 51506 1 89 88 ALA . 51506 1 90 89 MET . 51506 1 91 90 THR . 51506 1 92 91 ARG . 51506 1 93 92 GLU . 51506 1 94 93 LEU . 51506 1 95 94 TRP . 51506 1 96 95 GLY . 51506 1 97 96 GLN . 51506 1 98 97 ILE . 51506 1 99 98 GLN . 51506 1 100 99 ARG . 51506 1 101 100 HIS . 51506 1 102 101 HIS . 51506 1 103 102 TYR . 51506 1 104 103 GLY . 51506 1 105 104 ILE . 51506 1 106 105 VAL . 51506 1 107 106 GLN . 51506 1 108 107 VAL . 51506 1 109 108 GLU . 51506 1 110 109 HIS . 51506 1 111 110 TYR . 51506 1 112 111 VAL . 51506 1 113 112 LYS . 51506 1 114 113 GLN . 51506 1 115 114 ILE . 51506 1 116 115 THR . 51506 1 117 116 LEU . 51506 1 118 117 TRP . 51506 1 119 118 GLN . 51506 1 120 119 ASP . 51506 1 121 120 THR . 51506 1 122 121 PRO . 51506 1 123 122 GLN . 51506 1 124 123 ALA . 51506 1 125 124 PHE . 51506 1 126 125 ARG . 51506 1 127 126 GLY . 51506 1 128 127 ASP . 51506 1 129 128 GLN . 51506 1 130 129 PRO . 51506 1 131 130 LYS . 51506 1 132 131 PRO . 51506 1 133 132 PRO . 51506 1 134 133 SER . 51506 1 135 134 PHE . 51506 1 136 135 ARG . 51506 1 137 136 SER . 51506 1 138 137 ASP . 51506 1 139 138 GLY . 51506 1 140 139 PRO . 51506 1 141 140 THR . 51506 1 142 141 ARG . 51506 1 143 142 GLY . 51506 1 144 143 GLN . 51506 1 145 144 GLY . 51506 1 146 145 SER . 51506 1 147 146 PHE . 51506 1 148 147 ARG . 51506 1 149 148 PRO . 51506 1 150 149 PHE . 51506 1 151 150 PHE . 51506 1 152 151 ARG . 51506 1 153 152 GLY . 51506 1 154 153 ARG . 51506 1 155 154 GLY . 51506 1 156 155 ARG . 51506 1 157 156 GLY . 51506 1 158 157 ARG . 51506 1 159 158 GLY . 51506 1 160 159 ARG . 51506 1 161 160 GLY . 51506 1 162 161 ARG . 51506 1 163 162 GLY . 51506 1 164 163 SER . 51506 1 165 164 GLN . 51506 1 166 165 SER . 51506 1 167 166 PRO . 51506 1 168 167 ALA . 51506 1 169 168 ARG . 51506 1 170 169 LYS . 51506 1 171 170 GLY . 51506 1 172 171 PRO . 51506 1 173 172 LEU . 51506 1 174 173 PRO . 51506 1 175 174 LYS . 51506 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 . MET 1 1 51506 1 . GLY 2 2 51506 1 . THR 3 3 51506 1 . PHE 4 4 51506 1 . ILE 5 5 51506 1 . GLU 6 6 51506 1 . LEU 7 7 51506 1 . VAL 8 8 51506 1 . LYS 9 9 51506 1 . ASN 10 10 51506 1 . MET 11 11 51506 1 . LYS 12 12 51506 1 . GLY 13 13 51506 1 . TYR 14 14 51506 1 . LYS 15 15 51506 1 . GLU 16 16 51506 1 . LEU 17 17 51506 1 . LEU 18 18 51506 1 . LEU 19 19 51506 1 . PRO 20 20 51506 1 . MET 21 21 51506 1 . GLU 22 22 51506 1 . MET 23 23 51506 1 . VAL 24 24 51506 1 . PRO 25 25 51506 1 . LEU 26 26 51506 1 . PRO 27 27 51506 1 . ALA 28 28 51506 1 . VAL 29 29 51506 1 . VAL 30 30 51506 1 . LEU 31 31 51506 1 . LYS 32 32 51506 1 . HIS 33 33 51506 1 . VAL 34 34 51506 1 . LYS 35 35 51506 1 . LEU 36 36 51506 1 . ILE 37 37 51506 1 . LEU 38 38 51506 1 . THR 39 39 51506 1 . SER 40 40 51506 1 . GLN 41 41 51506 1 . LYS 42 42 51506 1 . GLU 43 43 51506 1 . HIS 44 44 51506 1 . GLN 45 45 51506 1 . PRO 46 46 51506 1 . TRP 47 47 51506 1 . MET 48 48 51506 1 . THR 49 49 51506 1 . GLU 50 50 51506 1 . MET 51 51 51506 1 . ALA 52 52 51506 1 . LEU 53 53 51506 1 . LYS 54 54 51506 1 . ALA 55 55 51506 1 . ASP 56 56 51506 1 . GLN 57 57 51506 1 . CYS 58 58 51506 1 . LEU 59 59 51506 1 . ILE 60 60 51506 1 . HIS 61 61 51506 1 . LYS 62 62 51506 1 . ALA 63 63 51506 1 . THR 64 64 51506 1 . LEU 65 65 51506 1 . ASP 66 66 51506 1 . LEU 67 67 51506 1 . ALA 68 68 51506 1 . GLY 69 69 51506 1 . LYS 70 70 51506 1 . ALA 71 71 51506 1 . THR 72 72 51506 1 . SER 73 73 51506 1 . ASN 74 74 51506 1 . GLU 75 75 51506 1 . ALA 76 76 51506 1 . LYS 77 77 51506 1 . PRO 78 78 51506 1 . LEU 79 79 51506 1 . ILE 80 80 51506 1 . GLU 81 81 51506 1 . ALA 82 82 51506 1 . MET 83 83 51506 1 . GLN 84 84 51506 1 . GLN 85 85 51506 1 . ILE 86 86 51506 1 . ILE 87 87 51506 1 . LEU 88 88 51506 1 . ALA 89 89 51506 1 . MET 90 90 51506 1 . THR 91 91 51506 1 . ARG 92 92 51506 1 . GLU 93 93 51506 1 . LEU 94 94 51506 1 . TRP 95 95 51506 1 . GLY 96 96 51506 1 . GLN 97 97 51506 1 . ILE 98 98 51506 1 . GLN 99 99 51506 1 . ARG 100 100 51506 1 . HIS 101 101 51506 1 . HIS 102 102 51506 1 . TYR 103 103 51506 1 . GLY 104 104 51506 1 . ILE 105 105 51506 1 . VAL 106 106 51506 1 . GLN 107 107 51506 1 . VAL 108 108 51506 1 . GLU 109 109 51506 1 . HIS 110 110 51506 1 . TYR 111 111 51506 1 . VAL 112 112 51506 1 . LYS 113 113 51506 1 . GLN 114 114 51506 1 . ILE 115 115 51506 1 . THR 116 116 51506 1 . LEU 117 117 51506 1 . TRP 118 118 51506 1 . GLN 119 119 51506 1 . ASP 120 120 51506 1 . THR 121 121 51506 1 . PRO 122 122 51506 1 . GLN 123 123 51506 1 . ALA 124 124 51506 1 . PHE 125 125 51506 1 . ARG 126 126 51506 1 . GLY 127 127 51506 1 . ASP 128 128 51506 1 . GLN 129 129 51506 1 . PRO 130 130 51506 1 . LYS 131 131 51506 1 . PRO 132 132 51506 1 . PRO 133 133 51506 1 . SER 134 134 51506 1 . PHE 135 135 51506 1 . ARG 136 136 51506 1 . SER 137 137 51506 1 . ASP 138 138 51506 1 . GLY 139 139 51506 1 . PRO 140 140 51506 1 . THR 141 141 51506 1 . ARG 142 142 51506 1 . GLY 143 143 51506 1 . GLN 144 144 51506 1 . GLY 145 145 51506 1 . SER 146 146 51506 1 . PHE 147 147 51506 1 . ARG 148 148 51506 1 . PRO 149 149 51506 1 . PHE 150 150 51506 1 . PHE 151 151 51506 1 . ARG 152 152 51506 1 . GLY 153 153 51506 1 . ARG 154 154 51506 1 . GLY 155 155 51506 1 . ARG 156 156 51506 1 . GLY 157 157 51506 1 . ARG 158 158 51506 1 . GLY 159 159 51506 1 . ARG 160 160 51506 1 . GLY 161 161 51506 1 . ARG 162 162 51506 1 . GLY 163 163 51506 1 . SER 164 164 51506 1 . GLN 165 165 51506 1 . SER 166 166 51506 1 . PRO 167 167 51506 1 . ALA 168 168 51506 1 . ARG 169 169 51506 1 . LYS 170 170 51506 1 . GLY 171 171 51506 1 . PRO 172 172 51506 1 . LEU 173 173 51506 1 . PRO 174 174 51506 1 . LYS 175 175 51506 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 51506 _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 . 27755 organism . 'Ophthalmotilapia ventralis' 'bony fishes' . . Eukaryota Metazoa Ophthalmotilapia ventralis . . . . . . . . . . . . 'GenBank: JL559376' 51506 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 51506 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pRSF_T7-CNDVcOpt . . . 51506 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51506 _Sample.ID 1 _Sample.Name 'ACNDV Cp at pH 7.5, carbon detection' _Sample.Type 'gel solid' _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system 'H2O based buffer' _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 'African cichlid nackednavirus capsid protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . n.d. . . mg/L . . . . 51506 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 51506 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 51506 1 4 DSS 'natural abundance' . . . . . . n.d. . . uM . . . . 51506 1 5 'sodium azide' 'natural abundance' . . . . . . n.d. . . uM . . . . 51506 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51506 _Sample.ID 2 _Sample.Name 'ACNDV Cp at pH 7.5, proton detection' _Sample.Type 'gel solid' _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system 'H2O based buffer' _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 'African cichlid nackednavirus capsid protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . n.d. . . mg/L . . . . 51506 2 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 51506 2 3 DSS 'natural abundance' . . . . . . n.d. . . uM . . . . 51506 2 4 'sodium azide' 'natural abundance' . . . . . . n.d. . . uM . . . . 51506 2 5 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 51506 2 6 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 51506 2 7 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51506 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51506 _Sample.ID 3 _Sample.Name 'ACNDV Cp at pH 7.5, SEC, carbon detection' _Sample.Type 'gel solid' _Sample.Sub_type . _Sample.Details 'Size exclusion chromatography was added as additional purification step' _Sample.Aggregate_sample_number . _Sample.Solvent_system 'H2O based buffer' _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 'African cichlid nackednavirus capsid protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . n.d. . . mg/L . . . . 51506 3 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 51506 3 3 DSS 'natural abundance' . . . . . . n.d. . . uM . . . . 51506 3 4 'sodium azide' 'natural abundance' . . . . . . n.d. . . uM . . . . 51506 3 5 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 51506 3 6 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 51506 3 7 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51506 3 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 51506 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Carbon detection' _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 pH 7.5 0.2 pH 51506 1 temperature 277.15 2 K 51506 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 51506 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'Proton detection' _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 pH 7.5 0.2 pH 51506 2 temperature 294 2 K 51506 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51506 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51506 1 processing . 51506 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51506 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51506 2 'data analysis' . 51506 2 'peak picking' . 51506 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51506 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker wide-bore 850 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 51506 _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 13C-13C DARR' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 2 NCA no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 3 NCO no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 4 NCACB no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 5 NCACX no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 6 NCOCX no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 7 CANCO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 8 CCC no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 9 CANcoCA no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 10 NcoCACB no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 11 hNH no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 12 hCH no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 13 hCANH no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 14 hNCAH no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 15 hCAcoNH no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 16 hNcoCAH no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51506 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51506 _Computing_platform.ID 1 _Computing_platform.Name 'ETH Zurich' _Computing_platform.Reference_ID . _Computing_platform.Site 'ETH Zurich' _Computing_platform.Site_reference_ID . _Computing_platform.Details . 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 51506 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'African cichlid nackednavirus Cp chemical shifts 1H, 13C, 15N' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 . . . . . 51506 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51506 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10132912 . . . . . 51506 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 51506 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ACNDV capsid protein' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 13C-13C DARR' . . . 51506 1 2 NCA . . . 51506 1 3 NCO . . . 51506 1 4 NCACB . . . 51506 1 5 NCACX . . . 51506 1 6 NCOCX . . . 51506 1 7 CANCO . . . 51506 1 8 CCC . . . 51506 1 9 CANcoCA . . . 51506 1 10 NcoCACB . . . 51506 1 11 hNH . . . 51506 1 12 hCH . . . 51506 1 13 hCANH . . . 51506 1 14 hNCAH . . . 51506 1 15 hCAcoNH . . . 51506 1 16 hNcoCAH . . . 51506 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 1 $software_1 . . 51506 1 2 $software_2 . . 51506 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 PHE H H 1 11.762 0.007 . 1 . . . . . 3 PHE H . 51506 1 2 . 1 . 1 4 4 PHE HA H 1 4.220 0.010 . 1 . . . . . 3 PHE HA . 51506 1 3 . 1 . 1 4 4 PHE HD1 H 1 7.378 0.000 . 1 . . . . . 3 PHE HD1 . 51506 1 4 . 1 . 1 4 4 PHE HD2 H 1 7.378 0.000 . 1 . . . . . 3 PHE HD2 . 51506 1 5 . 1 . 1 4 4 PHE C C 13 179.660 0.149 . 1 . . . . . 3 PHE C . 51506 1 6 . 1 . 1 4 4 PHE CA C 13 62.429 0.098 . 1 . . . . . 3 PHE CA . 51506 1 7 . 1 . 1 4 4 PHE CB C 13 37.956 0.061 . 1 . . . . . 3 PHE CB . 51506 1 8 . 1 . 1 4 4 PHE CG C 13 140.559 0.187 . 1 . . . . . 3 PHE CG . 51506 1 9 . 1 . 1 4 4 PHE CD1 C 13 132.351 0.110 . 1 . . . . . 3 PHE CD1 . 51506 1 10 . 1 . 1 4 4 PHE CD2 C 13 132.351 0.110 . 1 . . . . . 3 PHE CD2 . 51506 1 11 . 1 . 1 4 4 PHE N N 15 124.022 0.191 . 1 . . . . . 3 PHE N . 51506 1 12 . 1 . 1 5 5 ILE H H 1 9.976 0.028 . 1 . . . . . 4 ILE H . 51506 1 13 . 1 . 1 5 5 ILE HA H 1 3.957 0.000 . 1 . . . . . 4 ILE HA . 51506 1 14 . 1 . 1 5 5 ILE C C 13 177.114 0.067 . 1 . . . . . 4 ILE C . 51506 1 15 . 1 . 1 5 5 ILE CA C 13 60.447 0.081 . 1 . . . . . 4 ILE CA . 51506 1 16 . 1 . 1 5 5 ILE CB C 13 37.527 0.070 . 1 . . . . . 4 ILE CB . 51506 1 17 . 1 . 1 5 5 ILE CG1 C 13 28.903 0.062 . 1 . . . . . 4 ILE CG1 . 51506 1 18 . 1 . 1 5 5 ILE CG2 C 13 19.977 0.030 . 1 . . . . . 4 ILE CG2 . 51506 1 19 . 1 . 1 5 5 ILE CD1 C 13 14.057 0.037 . 1 . . . . . 4 ILE CD1 . 51506 1 20 . 1 . 1 5 5 ILE N N 15 122.715 0.220 . 1 . . . . . 4 ILE N . 51506 1 21 . 1 . 1 6 6 GLU H H 1 7.510 0.011 . 1 . . . . . 5 GLU H . 51506 1 22 . 1 . 1 6 6 GLU HA H 1 3.751 0.012 . 1 . . . . . 5 GLU HA . 51506 1 23 . 1 . 1 6 6 GLU C C 13 178.524 0.133 . 1 . . . . . 5 GLU C . 51506 1 24 . 1 . 1 6 6 GLU CA C 13 59.281 0.085 . 1 . . . . . 5 GLU CA . 51506 1 25 . 1 . 1 6 6 GLU CB C 13 29.213 0.029 . 1 . . . . . 5 GLU CB . 51506 1 26 . 1 . 1 6 6 GLU CD C 13 183.786 0.005 . 1 . . . . . 5 GLU CD . 51506 1 27 . 1 . 1 6 6 GLU N N 15 121.327 0.192 . 1 . . . . . 5 GLU N . 51506 1 28 . 1 . 1 7 7 LEU H H 1 7.014 0.016 . 1 . . . . . 6 LEU H . 51506 1 29 . 1 . 1 7 7 LEU HA H 1 4.014 0.005 . 1 . . . . . 6 LEU HA . 51506 1 30 . 1 . 1 7 7 LEU C C 13 179.998 0.093 . 1 . . . . . 6 LEU C . 51506 1 31 . 1 . 1 7 7 LEU CA C 13 57.512 0.083 . 1 . . . . . 6 LEU CA . 51506 1 32 . 1 . 1 7 7 LEU CB C 13 41.942 0.069 . 1 . . . . . 6 LEU CB . 51506 1 33 . 1 . 1 7 7 LEU CG C 13 26.575 0.068 . 1 . . . . . 6 LEU CG . 51506 1 34 . 1 . 1 7 7 LEU CD1 C 13 23.912 0.044 . 1 . . . . . 6 LEU CD1 . 51506 1 35 . 1 . 1 7 7 LEU N N 15 116.904 0.119 . 1 . . . . . 6 LEU N . 51506 1 36 . 1 . 1 8 8 VAL H H 1 7.133 0.002 . 1 . . . . . 7 VAL H . 51506 1 37 . 1 . 1 8 8 VAL HA H 1 3.684 0.018 . 1 . . . . . 7 VAL HA . 51506 1 38 . 1 . 1 8 8 VAL C C 13 177.113 0.089 . 1 . . . . . 7 VAL C . 51506 1 39 . 1 . 1 8 8 VAL CA C 13 65.535 0.073 . 1 . . . . . 7 VAL CA . 51506 1 40 . 1 . 1 8 8 VAL CB C 13 31.851 0.030 . 1 . . . . . 7 VAL CB . 51506 1 41 . 1 . 1 8 8 VAL CG1 C 13 24.804 0.046 . 2 . . . . . 7 VAL CG1 . 51506 1 42 . 1 . 1 8 8 VAL CG2 C 13 22.360 0.043 . 2 . . . . . 7 VAL CG2 . 51506 1 43 . 1 . 1 8 8 VAL N N 15 119.219 0.175 . 1 . . . . . 7 VAL N . 51506 1 44 . 1 . 1 9 9 LYS H H 1 7.978 0.000 . 1 . . . . . 8 LYS H . 51506 1 45 . 1 . 1 9 9 LYS HE2 H 1 2.629 0.026 . 2 . . . . . 8 LYS HE2 . 51506 1 46 . 1 . 1 9 9 LYS HE3 H 1 2.740 0.000 . 2 . . . . . 8 LYS HE3 . 51506 1 47 . 1 . 1 9 9 LYS C C 13 177.182 0.050 . 1 . . . . . 8 LYS C . 51506 1 48 . 1 . 1 9 9 LYS CA C 13 58.296 0.069 . 1 . . . . . 8 LYS CA . 51506 1 49 . 1 . 1 9 9 LYS CB C 13 31.709 0.110 . 1 . . . . . 8 LYS CB . 51506 1 50 . 1 . 1 9 9 LYS CG C 13 26.092 0.040 . 1 . . . . . 8 LYS CG . 51506 1 51 . 1 . 1 9 9 LYS CD C 13 30.279 0.070 . 1 . . . . . 8 LYS CD . 51506 1 52 . 1 . 1 9 9 LYS CE C 13 42.108 0.066 . 1 . . . . . 8 LYS CE . 51506 1 53 . 1 . 1 9 9 LYS N N 15 115.818 0.199 . 1 . . . . . 8 LYS N . 51506 1 54 . 1 . 1 10 10 ASN H H 1 6.842 0.020 . 1 . . . . . 9 ASN H . 51506 1 55 . 1 . 1 10 10 ASN HA H 1 4.698 0.010 . 1 . . . . . 9 ASN HA . 51506 1 56 . 1 . 1 10 10 ASN C C 13 177.256 0.060 . 1 . . . . . 9 ASN C . 51506 1 57 . 1 . 1 10 10 ASN CA C 13 52.717 0.065 . 1 . . . . . 9 ASN CA . 51506 1 58 . 1 . 1 10 10 ASN CB C 13 39.747 0.042 . 1 . . . . . 9 ASN CB . 51506 1 59 . 1 . 1 10 10 ASN CG C 13 175.036 0.058 . 1 . . . . . 9 ASN CG . 51506 1 60 . 1 . 1 10 10 ASN N N 15 113.845 0.098 . 1 . . . . . 9 ASN N . 51506 1 61 . 1 . 1 11 11 MET H H 1 7.583 0.017 . 1 . . . . . 10 MET H . 51506 1 62 . 1 . 1 11 11 MET HA H 1 4.257 0.005 . 1 . . . . . 10 MET HA . 51506 1 63 . 1 . 1 11 11 MET C C 13 177.002 0.050 . 1 . . . . . 10 MET C . 51506 1 64 . 1 . 1 11 11 MET CA C 13 56.588 0.097 . 1 . . . . . 10 MET CA . 51506 1 65 . 1 . 1 11 11 MET CB C 13 34.384 0.052 . 1 . . . . . 10 MET CB . 51506 1 66 . 1 . 1 11 11 MET CG C 13 33.007 0.084 . 1 . . . . . 10 MET CG . 51506 1 67 . 1 . 1 11 11 MET N N 15 121.127 0.154 . 1 . . . . . 10 MET N . 51506 1 68 . 1 . 1 12 12 LYS H H 1 8.522 0.004 . 1 . . . . . 11 LYS H . 51506 1 69 . 1 . 1 12 12 LYS HA H 1 4.123 0.022 . 1 . . . . . 11 LYS HA . 51506 1 70 . 1 . 1 12 12 LYS C C 13 176.900 0.099 . 1 . . . . . 11 LYS C . 51506 1 71 . 1 . 1 12 12 LYS CA C 13 58.123 0.097 . 1 . . . . . 11 LYS CA . 51506 1 72 . 1 . 1 12 12 LYS CB C 13 32.213 0.096 . 1 . . . . . 11 LYS CB . 51506 1 73 . 1 . 1 12 12 LYS CG C 13 24.801 0.043 . 1 . . . . . 11 LYS CG . 51506 1 74 . 1 . 1 12 12 LYS CD C 13 29.469 0.056 . 1 . . . . . 11 LYS CD . 51506 1 75 . 1 . 1 12 12 LYS N N 15 125.643 0.238 . 1 . . . . . 11 LYS N . 51506 1 76 . 1 . 1 13 13 GLY H H 1 8.929 0.016 . 1 . . . . . 12 GLY H . 51506 1 77 . 1 . 1 13 13 GLY HA2 H 1 3.633 0.023 . 2 . . . . . 12 GLY HA2 . 51506 1 78 . 1 . 1 13 13 GLY HA3 H 1 4.707 0.030 . 2 . . . . . 12 GLY HA3 . 51506 1 79 . 1 . 1 13 13 GLY C C 13 174.880 0.077 . 1 . . . . . 12 GLY C . 51506 1 80 . 1 . 1 13 13 GLY CA C 13 44.922 0.111 . 1 . . . . . 12 GLY CA . 51506 1 81 . 1 . 1 13 13 GLY N N 15 113.945 0.127 . 1 . . . . . 12 GLY N . 51506 1 82 . 1 . 1 14 14 TYR H H 1 7.611 0.007 . 1 . . . . . 13 TYR H . 51506 1 83 . 1 . 1 14 14 TYR HA H 1 4.101 0.000 . 1 . . . . . 13 TYR HA . 51506 1 84 . 1 . 1 14 14 TYR C C 13 175.254 0.062 . 1 . . . . . 13 TYR C . 51506 1 85 . 1 . 1 14 14 TYR CA C 13 59.910 0.109 . 1 . . . . . 13 TYR CA . 51506 1 86 . 1 . 1 14 14 TYR CB C 13 38.549 0.102 . 1 . . . . . 13 TYR CB . 51506 1 87 . 1 . 1 14 14 TYR CG C 13 130.102 0.086 . 1 . . . . . 13 TYR CG . 51506 1 88 . 1 . 1 14 14 TYR CD1 C 13 130.443 0.028 . 1 . . . . . 13 TYR CD1 . 51506 1 89 . 1 . 1 14 14 TYR CD2 C 13 130.443 0.028 . 1 . . . . . 13 TYR CD2 . 51506 1 90 . 1 . 1 14 14 TYR CE1 C 13 117.526 0.103 . 1 . . . . . 13 TYR CE1 . 51506 1 91 . 1 . 1 14 14 TYR CE2 C 13 117.526 0.103 . 1 . . . . . 13 TYR CE2 . 51506 1 92 . 1 . 1 14 14 TYR CZ C 13 157.866 0.218 . 1 . . . . . 13 TYR CZ . 51506 1 93 . 1 . 1 14 14 TYR N N 15 122.357 0.211 . 1 . . . . . 13 TYR N . 51506 1 94 . 1 . 1 15 15 LYS H H 1 7.236 0.046 . 1 . . . . . 14 LYS H . 51506 1 95 . 1 . 1 15 15 LYS HA H 1 4.426 0.014 . 1 . . . . . 14 LYS HA . 51506 1 96 . 1 . 1 15 15 LYS C C 13 173.625 0.066 . 1 . . . . . 14 LYS C . 51506 1 97 . 1 . 1 15 15 LYS CA C 13 54.855 0.095 . 1 . . . . . 14 LYS CA . 51506 1 98 . 1 . 1 15 15 LYS CB C 13 35.740 0.100 . 1 . . . . . 14 LYS CB . 51506 1 99 . 1 . 1 15 15 LYS CG C 13 24.285 0.047 . 1 . . . . . 14 LYS CG . 51506 1 100 . 1 . 1 15 15 LYS N N 15 128.751 0.156 . 1 . . . . . 14 LYS N . 51506 1 101 . 1 . 1 16 16 GLU HA H 1 4.315 0.011 . 1 . . . . . 15 GLU HA . 51506 1 102 . 1 . 1 16 16 GLU C C 13 172.921 0.098 . 1 . . . . . 15 GLU C . 51506 1 103 . 1 . 1 16 16 GLU CA C 13 54.024 0.057 . 1 . . . . . 15 GLU CA . 51506 1 104 . 1 . 1 16 16 GLU CB C 13 31.812 0.134 . 1 . . . . . 15 GLU CB . 51506 1 105 . 1 . 1 16 16 GLU CG C 13 33.982 0.137 . 1 . . . . . 15 GLU CG . 51506 1 106 . 1 . 1 16 16 GLU CD C 13 183.608 0.044 . 1 . . . . . 15 GLU CD . 51506 1 107 . 1 . 1 16 16 GLU N N 15 118.639 0.333 . 1 . . . . . 15 GLU N . 51506 1 108 . 1 . 1 17 17 LEU H H 1 7.584 0.000 . 1 . . . . . 16 LEU H . 51506 1 109 . 1 . 1 17 17 LEU HA H 1 4.503 0.000 . 1 . . . . . 16 LEU HA . 51506 1 110 . 1 . 1 17 17 LEU C C 13 175.623 0.126 . 1 . . . . . 16 LEU C . 51506 1 111 . 1 . 1 17 17 LEU CA C 13 53.469 0.127 . 1 . . . . . 16 LEU CA . 51506 1 112 . 1 . 1 17 17 LEU CB C 13 42.919 0.097 . 1 . . . . . 16 LEU CB . 51506 1 113 . 1 . 1 17 17 LEU CG C 13 27.429 0.085 . 1 . . . . . 16 LEU CG . 51506 1 114 . 1 . 1 17 17 LEU CD1 C 13 23.510 0.000 . 1 . . . . . 16 LEU CD1 . 51506 1 115 . 1 . 1 17 17 LEU N N 15 122.157 0.118 . 1 . . . . . 16 LEU N . 51506 1 116 . 1 . 1 18 18 LEU H H 1 9.194 0.004 . 1 . . . . . 17 LEU H . 51506 1 117 . 1 . 1 18 18 LEU HA H 1 4.584 0.014 . 1 . . . . . 17 LEU HA . 51506 1 118 . 1 . 1 18 18 LEU C C 13 175.155 0.095 . 1 . . . . . 17 LEU C . 51506 1 119 . 1 . 1 18 18 LEU CA C 13 53.257 0.119 . 1 . . . . . 17 LEU CA . 51506 1 120 . 1 . 1 18 18 LEU CB C 13 41.944 0.081 . 1 . . . . . 17 LEU CB . 51506 1 121 . 1 . 1 18 18 LEU CG C 13 26.915 0.060 . 1 . . . . . 17 LEU CG . 51506 1 122 . 1 . 1 18 18 LEU CD1 C 13 23.477 0.133 . 1 . . . . . 17 LEU CD1 . 51506 1 123 . 1 . 1 18 18 LEU N N 15 132.585 0.358 . 1 . . . . . 17 LEU N . 51506 1 124 . 1 . 1 19 19 LEU H H 1 8.519 0.022 . 1 . . . . . 18 LEU H . 51506 1 125 . 1 . 1 19 19 LEU HA H 1 4.554 0.000 . 1 . . . . . 18 LEU HA . 51506 1 126 . 1 . 1 19 19 LEU C C 13 174.184 0.068 . 1 . . . . . 18 LEU C . 51506 1 127 . 1 . 1 19 19 LEU CA C 13 52.661 0.118 . 1 . . . . . 18 LEU CA . 51506 1 128 . 1 . 1 19 19 LEU CB C 13 41.436 0.190 . 1 . . . . . 18 LEU CB . 51506 1 129 . 1 . 1 19 19 LEU CG C 13 27.775 0.134 . 1 . . . . . 18 LEU CG . 51506 1 130 . 1 . 1 19 19 LEU N N 15 125.090 0.339 . 1 . . . . . 18 LEU N . 51506 1 131 . 1 . 1 20 20 PRO HA H 1 4.371 0.018 . 1 . . . . . 19 PRO HA . 51506 1 132 . 1 . 1 20 20 PRO C C 13 177.960 0.076 . 1 . . . . . 19 PRO C . 51506 1 133 . 1 . 1 20 20 PRO CA C 13 62.764 0.085 . 1 . . . . . 19 PRO CA . 51506 1 134 . 1 . 1 20 20 PRO CB C 13 32.019 0.124 . 1 . . . . . 19 PRO CB . 51506 1 135 . 1 . 1 20 20 PRO CG C 13 27.939 0.039 . 1 . . . . . 19 PRO CG . 51506 1 136 . 1 . 1 20 20 PRO CD C 13 50.125 0.073 . 1 . . . . . 19 PRO CD . 51506 1 137 . 1 . 1 20 20 PRO N N 15 135.458 0.100 . 1 . . . . . 19 PRO N . 51506 1 138 . 1 . 1 21 21 MET H H 1 8.763 0.008 . 1 . . . . . 20 MET H . 51506 1 139 . 1 . 1 21 21 MET HA H 1 4.028 0.009 . 1 . . . . . 20 MET HA . 51506 1 140 . 1 . 1 21 21 MET C C 13 178.909 0.084 . 1 . . . . . 20 MET C . 51506 1 141 . 1 . 1 21 21 MET CA C 13 57.642 0.107 . 1 . . . . . 20 MET CA . 51506 1 142 . 1 . 1 21 21 MET CB C 13 31.195 0.062 . 1 . . . . . 20 MET CB . 51506 1 143 . 1 . 1 21 21 MET CG C 13 32.292 0.017 . 1 . . . . . 20 MET CG . 51506 1 144 . 1 . 1 21 21 MET N N 15 122.928 0.199 . 1 . . . . . 20 MET N . 51506 1 145 . 1 . 1 22 22 GLU H H 1 9.586 0.021 . 1 . . . . . 21 GLU H . 51506 1 146 . 1 . 1 22 22 GLU HA H 1 4.060 0.026 . 1 . . . . . 21 GLU HA . 51506 1 147 . 1 . 1 22 22 GLU C C 13 177.006 0.100 . 1 . . . . . 21 GLU C . 51506 1 148 . 1 . 1 22 22 GLU CA C 13 58.991 0.126 . 1 . . . . . 21 GLU CA . 51506 1 149 . 1 . 1 22 22 GLU CB C 13 28.296 0.071 . 1 . . . . . 21 GLU CB . 51506 1 150 . 1 . 1 22 22 GLU CD C 13 184.223 0.137 . 1 . . . . . 21 GLU CD . 51506 1 151 . 1 . 1 22 22 GLU N N 15 117.378 0.217 . 1 . . . . . 21 GLU N . 51506 1 152 . 1 . 1 23 23 MET H H 1 7.773 0.001 . 1 . . . . . 22 MET H . 51506 1 153 . 1 . 1 23 23 MET HA H 1 3.785 0.000 . 1 . . . . . 22 MET HA . 51506 1 154 . 1 . 1 23 23 MET C C 13 173.798 0.111 . 1 . . . . . 22 MET C . 51506 1 155 . 1 . 1 23 23 MET CA C 13 56.212 0.104 . 1 . . . . . 22 MET CA . 51506 1 156 . 1 . 1 23 23 MET CB C 13 33.275 0.114 . 1 . . . . . 22 MET CB . 51506 1 157 . 1 . 1 23 23 MET N N 15 116.472 0.215 . 1 . . . . . 22 MET N . 51506 1 158 . 1 . 1 24 24 VAL H H 1 7.363 0.022 . 1 . . . . . 23 VAL H . 51506 1 159 . 1 . 1 24 24 VAL C C 13 174.383 0.062 . 1 . . . . . 23 VAL C . 51506 1 160 . 1 . 1 24 24 VAL CA C 13 59.192 0.069 . 1 . . . . . 23 VAL CA . 51506 1 161 . 1 . 1 24 24 VAL CB C 13 33.229 0.031 . 1 . . . . . 23 VAL CB . 51506 1 162 . 1 . 1 24 24 VAL CG1 C 13 22.389 0.028 . 2 . . . . . 23 VAL CG1 . 51506 1 163 . 1 . 1 24 24 VAL CG2 C 13 20.391 0.013 . 2 . . . . . 23 VAL CG2 . 51506 1 164 . 1 . 1 24 24 VAL N N 15 120.918 0.124 . 1 . . . . . 23 VAL N . 51506 1 165 . 1 . 1 25 25 PRO HA H 1 4.409 0.000 . 1 . . . . . 24 PRO HA . 51506 1 166 . 1 . 1 25 25 PRO C C 13 173.345 0.044 . 1 . . . . . 24 PRO C . 51506 1 167 . 1 . 1 25 25 PRO CA C 13 61.422 0.074 . 1 . . . . . 24 PRO CA . 51506 1 168 . 1 . 1 25 25 PRO CB C 13 32.869 0.070 . 1 . . . . . 24 PRO CB . 51506 1 169 . 1 . 1 25 25 PRO CG C 13 24.884 0.083 . 1 . . . . . 24 PRO CG . 51506 1 170 . 1 . 1 25 25 PRO CD C 13 48.013 0.055 . 1 . . . . . 24 PRO CD . 51506 1 171 . 1 . 1 25 25 PRO N N 15 137.368 0.184 . 1 . . . . . 24 PRO N . 51506 1 172 . 1 . 1 26 26 LEU H H 1 7.991 0.016 . 1 . . . . . 25 LEU H . 51506 1 173 . 1 . 1 26 26 LEU HA H 1 4.326 0.000 . 1 . . . . . 25 LEU HA . 51506 1 174 . 1 . 1 26 26 LEU C C 13 176.570 0.031 . 1 . . . . . 25 LEU C . 51506 1 175 . 1 . 1 26 26 LEU CA C 13 53.983 0.052 . 1 . . . . . 25 LEU CA . 51506 1 176 . 1 . 1 26 26 LEU CB C 13 40.607 0.077 . 1 . . . . . 25 LEU CB . 51506 1 177 . 1 . 1 26 26 LEU CG C 13 27.321 0.056 . 1 . . . . . 25 LEU CG . 51506 1 178 . 1 . 1 26 26 LEU CD1 C 13 25.495 0.026 . 2 . . . . . 25 LEU CD1 . 51506 1 179 . 1 . 1 26 26 LEU CD2 C 13 22.650 0.028 . 2 . . . . . 25 LEU CD2 . 51506 1 180 . 1 . 1 26 26 LEU N N 15 116.058 0.114 . 1 . . . . . 25 LEU N . 51506 1 181 . 1 . 1 27 27 PRO HD2 H 1 3.649 0.000 . 1 . . . . . 26 PRO HD2 . 51506 1 182 . 1 . 1 27 27 PRO C C 13 177.481 0.093 . 1 . . . . . 26 PRO C . 51506 1 183 . 1 . 1 27 27 PRO CA C 13 66.637 0.075 . 1 . . . . . 26 PRO CA . 51506 1 184 . 1 . 1 27 27 PRO CB C 13 31.964 0.082 . 1 . . . . . 26 PRO CB . 51506 1 185 . 1 . 1 27 27 PRO CG C 13 27.367 0.097 . 1 . . . . . 26 PRO CG . 51506 1 186 . 1 . 1 27 27 PRO CD C 13 50.072 0.099 . 1 . . . . . 26 PRO CD . 51506 1 187 . 1 . 1 27 27 PRO N N 15 134.003 0.172 . 1 . . . . . 26 PRO N . 51506 1 188 . 1 . 1 28 28 ALA H H 1 8.689 0.004 . 1 . . . . . 27 ALA H . 51506 1 189 . 1 . 1 28 28 ALA HA H 1 4.040 0.005 . 1 . . . . . 27 ALA HA . 51506 1 190 . 1 . 1 28 28 ALA C C 13 180.992 0.076 . 1 . . . . . 27 ALA C . 51506 1 191 . 1 . 1 28 28 ALA CA C 13 55.496 0.096 . 1 . . . . . 27 ALA CA . 51506 1 192 . 1 . 1 28 28 ALA CB C 13 18.667 0.068 . 1 . . . . . 27 ALA CB . 51506 1 193 . 1 . 1 28 28 ALA N N 15 115.758 0.154 . 1 . . . . . 27 ALA N . 51506 1 194 . 1 . 1 29 29 VAL H H 1 7.416 0.012 . 1 . . . . . 28 VAL H . 51506 1 195 . 1 . 1 29 29 VAL HA H 1 3.691 0.010 . 1 . . . . . 28 VAL HA . 51506 1 196 . 1 . 1 29 29 VAL HB H 1 2.223 0.004 . 1 . . . . . 28 VAL HB . 51506 1 197 . 1 . 1 29 29 VAL C C 13 178.009 0.045 . 1 . . . . . 28 VAL C . 51506 1 198 . 1 . 1 29 29 VAL CA C 13 65.585 0.078 . 1 . . . . . 28 VAL CA . 51506 1 199 . 1 . 1 29 29 VAL CB C 13 31.844 0.053 . 1 . . . . . 28 VAL CB . 51506 1 200 . 1 . 1 29 29 VAL CG1 C 13 22.328 0.035 . 2 . . . . . 28 VAL CG1 . 51506 1 201 . 1 . 1 29 29 VAL CG2 C 13 23.226 0.035 . 2 . . . . . 28 VAL CG2 . 51506 1 202 . 1 . 1 29 29 VAL N N 15 119.150 0.150 . 1 . . . . . 28 VAL N . 51506 1 203 . 1 . 1 30 30 VAL H H 1 7.622 0.013 . 1 . . . . . 29 VAL H . 51506 1 204 . 1 . 1 30 30 VAL HA H 1 3.792 0.004 . 1 . . . . . 29 VAL HA . 51506 1 205 . 1 . 1 30 30 VAL C C 13 178.555 0.056 . 1 . . . . . 29 VAL C . 51506 1 206 . 1 . 1 30 30 VAL CA C 13 67.883 0.083 . 1 . . . . . 29 VAL CA . 51506 1 207 . 1 . 1 30 30 VAL CB C 13 31.657 0.075 . 1 . . . . . 29 VAL CB . 51506 1 208 . 1 . 1 30 30 VAL CG1 C 13 23.268 0.022 . 2 . . . . . 29 VAL CG1 . 51506 1 209 . 1 . 1 30 30 VAL CG2 C 13 23.264 0.023 . 2 . . . . . 29 VAL CG2 . 51506 1 210 . 1 . 1 30 30 VAL N N 15 120.052 0.102 . 1 . . . . . 29 VAL N . 51506 1 211 . 1 . 1 31 31 LEU H H 1 8.667 0.000 . 1 . . . . . 30 LEU H . 51506 1 212 . 1 . 1 31 31 LEU HA H 1 3.598 0.019 . 1 . . . . . 30 LEU HA . 51506 1 213 . 1 . 1 31 31 LEU C C 13 179.325 0.076 . 1 . . . . . 30 LEU C . 51506 1 214 . 1 . 1 31 31 LEU CA C 13 58.448 0.120 . 1 . . . . . 30 LEU CA . 51506 1 215 . 1 . 1 31 31 LEU CB C 13 40.658 0.093 . 1 . . . . . 30 LEU CB . 51506 1 216 . 1 . 1 31 31 LEU CG C 13 28.079 0.039 . 1 . . . . . 30 LEU CG . 51506 1 217 . 1 . 1 31 31 LEU CD1 C 13 23.145 0.095 . 2 . . . . . 30 LEU CD1 . 51506 1 218 . 1 . 1 31 31 LEU CD2 C 13 25.284 0.096 . 2 . . . . . 30 LEU CD2 . 51506 1 219 . 1 . 1 31 31 LEU N N 15 117.517 0.156 . 1 . . . . . 30 LEU N . 51506 1 220 . 1 . 1 32 32 LYS C C 13 179.322 0.080 . 1 . . . . . 31 LYS C . 51506 1 221 . 1 . 1 32 32 LYS CA C 13 59.570 0.098 . 1 . . . . . 31 LYS CA . 51506 1 222 . 1 . 1 32 32 LYS CB C 13 32.162 0.092 . 1 . . . . . 31 LYS CB . 51506 1 223 . 1 . 1 32 32 LYS CG C 13 24.537 0.117 . 1 . . . . . 31 LYS CG . 51506 1 224 . 1 . 1 32 32 LYS CD C 13 30.204 0.141 . 1 . . . . . 31 LYS CD . 51506 1 225 . 1 . 1 32 32 LYS CE C 13 42.057 0.062 . 1 . . . . . 31 LYS CE . 51506 1 226 . 1 . 1 32 32 LYS N N 15 122.245 0.226 . 1 . . . . . 31 LYS N . 51506 1 227 . 1 . 1 33 33 HIS H H 1 7.799 0.011 . 1 . . . . . 32 HIS H . 51506 1 228 . 1 . 1 33 33 HIS HA H 1 4.270 0.022 . 1 . . . . . 32 HIS HA . 51506 1 229 . 1 . 1 33 33 HIS C C 13 178.469 0.060 . 1 . . . . . 32 HIS C . 51506 1 230 . 1 . 1 33 33 HIS CA C 13 61.879 0.091 . 1 . . . . . 32 HIS CA . 51506 1 231 . 1 . 1 33 33 HIS CB C 13 32.661 0.056 . 1 . . . . . 32 HIS CB . 51506 1 232 . 1 . 1 33 33 HIS CD2 C 13 117.357 0.084 . 1 . . . . . 32 HIS CD2 . 51506 1 233 . 1 . 1 33 33 HIS N N 15 118.758 0.281 . 1 . . . . . 32 HIS N . 51506 1 234 . 1 . 1 34 34 VAL H H 1 8.466 0.007 . 1 . . . . . 33 VAL H . 51506 1 235 . 1 . 1 34 34 VAL HA H 1 3.710 0.014 . 1 . . . . . 33 VAL HA . 51506 1 236 . 1 . 1 34 34 VAL C C 13 177.363 0.111 . 1 . . . . . 33 VAL C . 51506 1 237 . 1 . 1 34 34 VAL CA C 13 66.806 0.080 . 1 . . . . . 33 VAL CA . 51506 1 238 . 1 . 1 34 34 VAL CB C 13 31.163 0.106 . 1 . . . . . 33 VAL CB . 51506 1 239 . 1 . 1 34 34 VAL CG1 C 13 23.882 0.089 . 2 . . . . . 33 VAL CG1 . 51506 1 240 . 1 . 1 34 34 VAL CG2 C 13 21.808 0.057 . 2 . . . . . 33 VAL CG2 . 51506 1 241 . 1 . 1 34 34 VAL N N 15 122.151 0.120 . 1 . . . . . 33 VAL N . 51506 1 242 . 1 . 1 35 35 LYS H H 1 8.068 0.010 . 1 . . . . . 34 LYS H . 51506 1 243 . 1 . 1 35 35 LYS HA H 1 3.882 0.018 . 1 . . . . . 34 LYS HA . 51506 1 244 . 1 . 1 35 35 LYS HB2 H 1 2.101 0.000 . 1 . . . . . 34 LYS HB2 . 51506 1 245 . 1 . 1 35 35 LYS C C 13 179.313 0.075 . 1 . . . . . 34 LYS C . 51506 1 246 . 1 . 1 35 35 LYS CA C 13 60.887 0.098 . 1 . . . . . 34 LYS CA . 51506 1 247 . 1 . 1 35 35 LYS CB C 13 32.086 0.067 . 1 . . . . . 34 LYS CB . 51506 1 248 . 1 . 1 35 35 LYS CG C 13 25.870 0.058 . 1 . . . . . 34 LYS CG . 51506 1 249 . 1 . 1 35 35 LYS CD C 13 29.341 0.066 . 1 . . . . . 34 LYS CD . 51506 1 250 . 1 . 1 35 35 LYS CE C 13 41.992 0.053 . 1 . . . . . 34 LYS CE . 51506 1 251 . 1 . 1 35 35 LYS N N 15 119.641 0.158 . 1 . . . . . 34 LYS N . 51506 1 252 . 1 . 1 36 36 LEU H H 1 8.361 0.034 . 1 . . . . . 35 LEU H . 51506 1 253 . 1 . 1 36 36 LEU HA H 1 3.966 0.014 . 1 . . . . . 35 LEU HA . 51506 1 254 . 1 . 1 36 36 LEU C C 13 179.765 0.122 . 1 . . . . . 35 LEU C . 51506 1 255 . 1 . 1 36 36 LEU CA C 13 58.389 0.088 . 1 . . . . . 35 LEU CA . 51506 1 256 . 1 . 1 36 36 LEU CB C 13 41.990 0.075 . 1 . . . . . 35 LEU CB . 51506 1 257 . 1 . 1 36 36 LEU CG C 13 26.906 0.077 . 1 . . . . . 35 LEU CG . 51506 1 258 . 1 . 1 36 36 LEU CD1 C 13 24.956 0.062 . 2 . . . . . 35 LEU CD1 . 51506 1 259 . 1 . 1 36 36 LEU CD2 C 13 22.408 0.050 . 2 . . . . . 35 LEU CD2 . 51506 1 260 . 1 . 1 36 36 LEU N N 15 120.340 0.232 . 1 . . . . . 35 LEU N . 51506 1 261 . 1 . 1 37 37 ILE H H 1 8.002 0.051 . 1 . . . . . 36 ILE H . 51506 1 262 . 1 . 1 37 37 ILE HA H 1 3.809 0.008 . 1 . . . . . 36 ILE HA . 51506 1 263 . 1 . 1 37 37 ILE C C 13 179.301 0.103 . 1 . . . . . 36 ILE C . 51506 1 264 . 1 . 1 37 37 ILE CA C 13 65.294 0.114 . 1 . . . . . 36 ILE CA . 51506 1 265 . 1 . 1 37 37 ILE CB C 13 38.339 0.070 . 1 . . . . . 36 ILE CB . 51506 1 266 . 1 . 1 37 37 ILE CG1 C 13 29.465 0.052 . 1 . . . . . 36 ILE CG1 . 51506 1 267 . 1 . 1 37 37 ILE CG2 C 13 16.802 0.078 . 1 . . . . . 36 ILE CG2 . 51506 1 268 . 1 . 1 37 37 ILE N N 15 118.520 0.213 . 1 . . . . . 36 ILE N . 51506 1 269 . 1 . 1 38 38 LEU H H 1 8.770 0.022 . 1 . . . . . 37 LEU H . 51506 1 270 . 1 . 1 38 38 LEU HA H 1 3.972 0.006 . 1 . . . . . 37 LEU HA . 51506 1 271 . 1 . 1 38 38 LEU C C 13 178.412 0.083 . 1 . . . . . 37 LEU C . 51506 1 272 . 1 . 1 38 38 LEU CA C 13 58.190 0.154 . 1 . . . . . 37 LEU CA . 51506 1 273 . 1 . 1 38 38 LEU CB C 13 42.053 0.078 . 1 . . . . . 37 LEU CB . 51506 1 274 . 1 . 1 38 38 LEU CG C 13 26.925 0.130 . 1 . . . . . 37 LEU CG . 51506 1 275 . 1 . 1 38 38 LEU CD1 C 13 22.266 0.049 . 2 . . . . . 37 LEU CD1 . 51506 1 276 . 1 . 1 38 38 LEU CD2 C 13 26.669 0.100 . 2 . . . . . 37 LEU CD2 . 51506 1 277 . 1 . 1 38 38 LEU N N 15 117.908 0.174 . 1 . . . . . 37 LEU N . 51506 1 278 . 1 . 1 39 39 THR H H 1 8.115 0.011 . 1 . . . . . 38 THR H . 51506 1 279 . 1 . 1 39 39 THR HA H 1 4.246 0.004 . 1 . . . . . 38 THR HA . 51506 1 280 . 1 . 1 39 39 THR C C 13 175.058 0.083 . 1 . . . . . 38 THR C . 51506 1 281 . 1 . 1 39 39 THR CA C 13 64.166 0.083 . 1 . . . . . 38 THR CA . 51506 1 282 . 1 . 1 39 39 THR CB C 13 69.812 0.094 . 1 . . . . . 38 THR CB . 51506 1 283 . 1 . 1 39 39 THR CG2 C 13 22.381 0.084 . 1 . . . . . 38 THR CG2 . 51506 1 284 . 1 . 1 39 39 THR N N 15 107.371 0.259 . 1 . . . . . 38 THR N . 51506 1 285 . 1 . 1 40 40 SER H H 1 7.449 0.010 . 1 . . . . . 39 SER H . 51506 1 286 . 1 . 1 40 40 SER HA H 1 4.656 0.016 . 1 . . . . . 39 SER HA . 51506 1 287 . 1 . 1 40 40 SER C C 13 174.513 0.108 . 1 . . . . . 39 SER C . 51506 1 288 . 1 . 1 40 40 SER CA C 13 58.796 0.102 . 1 . . . . . 39 SER CA . 51506 1 289 . 1 . 1 40 40 SER CB C 13 64.670 0.058 . 1 . . . . . 39 SER CB . 51506 1 290 . 1 . 1 40 40 SER N N 15 113.806 0.172 . 1 . . . . . 39 SER N . 51506 1 291 . 1 . 1 41 41 GLN H H 1 7.279 0.002 . 1 . . . . . 40 GLN H . 51506 1 292 . 1 . 1 41 41 GLN HA H 1 4.444 0.003 . 1 . . . . . 40 GLN HA . 51506 1 293 . 1 . 1 41 41 GLN C C 13 175.438 0.100 . 1 . . . . . 40 GLN C . 51506 1 294 . 1 . 1 41 41 GLN CA C 13 54.537 0.113 . 1 . . . . . 40 GLN CA . 51506 1 295 . 1 . 1 41 41 GLN CB C 13 29.428 0.055 . 1 . . . . . 40 GLN CB . 51506 1 296 . 1 . 1 41 41 GLN CG C 13 32.571 0.125 . 1 . . . . . 40 GLN CG . 51506 1 297 . 1 . 1 41 41 GLN CD C 13 179.555 0.071 . 1 . . . . . 40 GLN CD . 51506 1 298 . 1 . 1 41 41 GLN N N 15 119.529 0.236 . 1 . . . . . 40 GLN N . 51506 1 299 . 1 . 1 41 41 GLN NE2 N 15 110.773 0.000 . 1 . . . . . 40 GLN NE2 . 51506 1 300 . 1 . 1 42 42 LYS H H 1 8.877 0.000 . 1 . . . . . 41 LYS H . 51506 1 301 . 1 . 1 42 42 LYS HA H 1 4.514 0.011 . 1 . . . . . 41 LYS HA . 51506 1 302 . 1 . 1 42 42 LYS C C 13 176.322 0.111 . 1 . . . . . 41 LYS C . 51506 1 303 . 1 . 1 42 42 LYS CA C 13 56.353 0.155 . 1 . . . . . 41 LYS CA . 51506 1 304 . 1 . 1 42 42 LYS CB C 13 34.195 0.025 . 1 . . . . . 41 LYS CB . 51506 1 305 . 1 . 1 42 42 LYS CG C 13 24.878 0.029 . 1 . . . . . 41 LYS CG . 51506 1 306 . 1 . 1 42 42 LYS N N 15 119.299 0.348 . 1 . . . . . 41 LYS N . 51506 1 307 . 1 . 1 43 43 GLU H H 1 7.675 0.009 . 1 . . . . . 42 GLU H . 51506 1 308 . 1 . 1 43 43 GLU HA H 1 4.763 0.007 . 1 . . . . . 42 GLU HA . 51506 1 309 . 1 . 1 43 43 GLU C C 13 174.550 0.056 . 1 . . . . . 42 GLU C . 51506 1 310 . 1 . 1 43 43 GLU CA C 13 55.044 0.090 . 1 . . . . . 42 GLU CA . 51506 1 311 . 1 . 1 43 43 GLU CB C 13 31.795 0.070 . 1 . . . . . 42 GLU CB . 51506 1 312 . 1 . 1 43 43 GLU CD C 13 183.522 0.071 . 1 . . . . . 42 GLU CD . 51506 1 313 . 1 . 1 43 43 GLU N N 15 118.280 0.128 . 1 . . . . . 42 GLU N . 51506 1 314 . 1 . 1 44 44 HIS H H 1 8.891 0.007 . 1 . . . . . 43 HIS H . 51506 1 315 . 1 . 1 44 44 HIS HA H 1 4.264 0.004 . 1 . . . . . 43 HIS HA . 51506 1 316 . 1 . 1 44 44 HIS C C 13 175.265 0.042 . 1 . . . . . 43 HIS C . 51506 1 317 . 1 . 1 44 44 HIS CA C 13 59.601 0.126 . 1 . . . . . 43 HIS CA . 51506 1 318 . 1 . 1 44 44 HIS CB C 13 32.370 0.103 . 1 . . . . . 43 HIS CB . 51506 1 319 . 1 . 1 44 44 HIS CD2 C 13 117.576 0.000 . 1 . . . . . 43 HIS CD2 . 51506 1 320 . 1 . 1 44 44 HIS N N 15 122.947 0.235 . 1 . . . . . 43 HIS N . 51506 1 321 . 1 . 1 45 45 GLN H H 1 6.630 0.017 . 1 . . . . . 44 GLN H . 51506 1 322 . 1 . 1 45 45 GLN HA H 1 4.587 0.000 . 1 . . . . . 44 GLN HA . 51506 1 323 . 1 . 1 45 45 GLN C C 13 174.307 0.050 . 1 . . . . . 44 GLN C . 51506 1 324 . 1 . 1 45 45 GLN CA C 13 52.847 0.106 . 1 . . . . . 44 GLN CA . 51506 1 325 . 1 . 1 45 45 GLN CB C 13 31.542 0.080 . 1 . . . . . 44 GLN CB . 51506 1 326 . 1 . 1 45 45 GLN CG C 13 32.765 0.049 . 1 . . . . . 44 GLN CG . 51506 1 327 . 1 . 1 45 45 GLN CD C 13 180.183 0.096 . 1 . . . . . 44 GLN CD . 51506 1 328 . 1 . 1 45 45 GLN N N 15 121.999 0.176 . 1 . . . . . 44 GLN N . 51506 1 329 . 1 . 1 45 45 GLN NE2 N 15 112.991 0.000 . 1 . . . . . 44 GLN NE2 . 51506 1 330 . 1 . 1 46 46 PRO HD2 H 1 3.930 0.013 . 1 . . . . . 45 PRO HD2 . 51506 1 331 . 1 . 1 46 46 PRO C C 13 178.389 0.068 . 1 . . . . . 45 PRO C . 51506 1 332 . 1 . 1 46 46 PRO CA C 13 66.523 0.101 . 1 . . . . . 45 PRO CA . 51506 1 333 . 1 . 1 46 46 PRO CB C 13 32.564 0.081 . 1 . . . . . 45 PRO CB . 51506 1 334 . 1 . 1 46 46 PRO CG C 13 27.475 0.050 . 1 . . . . . 45 PRO CG . 51506 1 335 . 1 . 1 46 46 PRO CD C 13 50.716 0.106 . 1 . . . . . 45 PRO CD . 51506 1 336 . 1 . 1 46 46 PRO N N 15 134.283 0.166 . 1 . . . . . 45 PRO N . 51506 1 337 . 1 . 1 47 47 TRP H H 1 7.813 0.003 . 1 . . . . . 46 TRP H . 51506 1 338 . 1 . 1 47 47 TRP HA H 1 4.586 0.016 . 1 . . . . . 46 TRP HA . 51506 1 339 . 1 . 1 47 47 TRP C C 13 178.106 0.100 . 1 . . . . . 46 TRP C . 51506 1 340 . 1 . 1 47 47 TRP CA C 13 58.650 0.106 . 1 . . . . . 46 TRP CA . 51506 1 341 . 1 . 1 47 47 TRP CB C 13 27.489 0.139 . 1 . . . . . 46 TRP CB . 51506 1 342 . 1 . 1 47 47 TRP CG C 13 110.053 0.002 . 1 . . . . . 46 TRP CG . 51506 1 343 . 1 . 1 47 47 TRP N N 15 116.050 0.251 . 1 . . . . . 46 TRP N . 51506 1 344 . 1 . 1 48 48 MET H H 1 7.508 0.009 . 1 . . . . . 47 MET H . 51506 1 345 . 1 . 1 48 48 MET HA H 1 3.538 0.023 . 1 . . . . . 47 MET HA . 51506 1 346 . 1 . 1 48 48 MET C C 13 178.175 0.093 . 1 . . . . . 47 MET C . 51506 1 347 . 1 . 1 48 48 MET CA C 13 58.959 0.136 . 1 . . . . . 47 MET CA . 51506 1 348 . 1 . 1 48 48 MET CB C 13 31.990 0.067 . 1 . . . . . 47 MET CB . 51506 1 349 . 1 . 1 48 48 MET CG C 13 30.958 0.130 . 1 . . . . . 47 MET CG . 51506 1 350 . 1 . 1 48 48 MET N N 15 121.514 0.179 . 1 . . . . . 47 MET N . 51506 1 351 . 1 . 1 49 49 THR H H 1 7.392 0.005 . 1 . . . . . 48 THR H . 51506 1 352 . 1 . 1 49 49 THR HA H 1 3.849 0.000 . 1 . . . . . 48 THR HA . 51506 1 353 . 1 . 1 49 49 THR C C 13 175.404 0.054 . 1 . . . . . 48 THR C . 51506 1 354 . 1 . 1 49 49 THR CA C 13 66.614 0.126 . 1 . . . . . 48 THR CA . 51506 1 355 . 1 . 1 49 49 THR CB C 13 68.277 0.470 . 1 . . . . . 48 THR CB . 51506 1 356 . 1 . 1 49 49 THR CG2 C 13 23.239 0.041 . 1 . . . . . 48 THR CG2 . 51506 1 357 . 1 . 1 49 49 THR N N 15 116.327 0.213 . 1 . . . . . 48 THR N . 51506 1 358 . 1 . 1 50 50 GLU H H 1 7.221 0.005 . 1 . . . . . 49 GLU H . 51506 1 359 . 1 . 1 50 50 GLU HA H 1 3.732 0.008 . 1 . . . . . 49 GLU HA . 51506 1 360 . 1 . 1 50 50 GLU C C 13 177.034 0.067 . 1 . . . . . 49 GLU C . 51506 1 361 . 1 . 1 50 50 GLU CA C 13 60.065 0.081 . 1 . . . . . 49 GLU CA . 51506 1 362 . 1 . 1 50 50 GLU CB C 13 29.349 0.067 . 1 . . . . . 49 GLU CB . 51506 1 363 . 1 . 1 50 50 GLU CG C 13 36.253 0.097 . 1 . . . . . 49 GLU CG . 51506 1 364 . 1 . 1 50 50 GLU N N 15 120.203 0.174 . 1 . . . . . 49 GLU N . 51506 1 365 . 1 . 1 51 51 MET HA H 1 4.355 0.000 . 1 . . . . . 50 MET HA . 51506 1 366 . 1 . 1 51 51 MET C C 13 177.286 0.081 . 1 . . . . . 50 MET C . 51506 1 367 . 1 . 1 51 51 MET CA C 13 59.113 0.094 . 1 . . . . . 50 MET CA . 51506 1 368 . 1 . 1 51 51 MET CB C 13 34.186 0.043 . 1 . . . . . 50 MET CB . 51506 1 369 . 1 . 1 51 51 MET N N 15 115.958 0.152 . 1 . . . . . 50 MET N . 51506 1 370 . 1 . 1 52 52 ALA H H 1 8.147 0.002 . 1 . . . . . 51 ALA H . 51506 1 371 . 1 . 1 52 52 ALA HA H 1 3.747 0.005 . 1 . . . . . 51 ALA HA . 51506 1 372 . 1 . 1 52 52 ALA C C 13 178.604 0.072 . 1 . . . . . 51 ALA C . 51506 1 373 . 1 . 1 52 52 ALA CA C 13 55.262 0.086 . 1 . . . . . 51 ALA CA . 51506 1 374 . 1 . 1 52 52 ALA CB C 13 19.236 0.043 . 1 . . . . . 51 ALA CB . 51506 1 375 . 1 . 1 52 52 ALA N N 15 119.459 0.197 . 1 . . . . . 51 ALA N . 51506 1 376 . 1 . 1 53 53 LEU H H 1 8.683 0.009 . 1 . . . . . 52 LEU H . 51506 1 377 . 1 . 1 53 53 LEU HA H 1 4.195 0.024 . 1 . . . . . 52 LEU HA . 51506 1 378 . 1 . 1 53 53 LEU C C 13 182.477 0.140 . 1 . . . . . 52 LEU C . 51506 1 379 . 1 . 1 53 53 LEU CA C 13 57.692 0.113 . 1 . . . . . 52 LEU CA . 51506 1 380 . 1 . 1 53 53 LEU CB C 13 42.539 0.082 . 1 . . . . . 52 LEU CB . 51506 1 381 . 1 . 1 53 53 LEU CG C 13 27.157 0.075 . 1 . . . . . 52 LEU CG . 51506 1 382 . 1 . 1 53 53 LEU CD1 C 13 23.288 0.017 . 1 . . . . . 52 LEU CD1 . 51506 1 383 . 1 . 1 53 53 LEU N N 15 115.915 0.108 . 1 . . . . . 52 LEU N . 51506 1 384 . 1 . 1 54 54 LYS H H 1 7.927 0.000 . 1 . . . . . 53 LYS H . 51506 1 385 . 1 . 1 54 54 LYS C C 13 177.899 0.076 . 1 . . . . . 53 LYS C . 51506 1 386 . 1 . 1 54 54 LYS CA C 13 60.183 0.070 . 1 . . . . . 53 LYS CA . 51506 1 387 . 1 . 1 54 54 LYS CB C 13 34.040 0.067 . 1 . . . . . 53 LYS CB . 51506 1 388 . 1 . 1 54 54 LYS CG C 13 26.874 0.082 . 1 . . . . . 53 LYS CG . 51506 1 389 . 1 . 1 54 54 LYS CD C 13 30.420 0.060 . 1 . . . . . 53 LYS CD . 51506 1 390 . 1 . 1 54 54 LYS CE C 13 42.990 0.045 . 1 . . . . . 53 LYS CE . 51506 1 391 . 1 . 1 54 54 LYS N N 15 119.096 0.352 . 1 . . . . . 53 LYS N . 51506 1 392 . 1 . 1 55 55 ALA H H 1 8.298 0.011 . 1 . . . . . 54 ALA H . 51506 1 393 . 1 . 1 55 55 ALA HA H 1 3.760 0.011 . 1 . . . . . 54 ALA HA . 51506 1 394 . 1 . 1 55 55 ALA C C 13 178.759 0.085 . 1 . . . . . 54 ALA C . 51506 1 395 . 1 . 1 55 55 ALA CA C 13 55.786 0.099 . 1 . . . . . 54 ALA CA . 51506 1 396 . 1 . 1 55 55 ALA CB C 13 19.164 0.083 . 1 . . . . . 54 ALA CB . 51506 1 397 . 1 . 1 55 55 ALA N N 15 122.814 0.156 . 1 . . . . . 54 ALA N . 51506 1 398 . 1 . 1 56 56 ASP H H 1 8.849 0.009 . 1 . . . . . 55 ASP H . 51506 1 399 . 1 . 1 56 56 ASP HA H 1 4.805 0.007 . 1 . . . . . 55 ASP HA . 51506 1 400 . 1 . 1 56 56 ASP C C 13 178.468 0.000 . 1 . . . . . 55 ASP C . 51506 1 401 . 1 . 1 56 56 ASP CA C 13 57.755 0.047 . 1 . . . . . 55 ASP CA . 51506 1 402 . 1 . 1 56 56 ASP CB C 13 40.625 0.079 . 1 . . . . . 55 ASP CB . 51506 1 403 . 1 . 1 56 56 ASP N N 15 116.751 0.219 . 1 . . . . . 55 ASP N . 51506 1 404 . 1 . 1 57 57 GLN C C 13 177.694 0.000 . 1 . . . . . 56 GLN C . 51506 1 405 . 1 . 1 57 57 GLN CA C 13 59.222 0.186 . 1 . . . . . 56 GLN CA . 51506 1 406 . 1 . 1 58 58 CYS H H 1 8.051 0.006 . 1 . . . . . 57 CYS H . 51506 1 407 . 1 . 1 58 58 CYS HA H 1 4.068 0.032 . 1 . . . . . 57 CYS HA . 51506 1 408 . 1 . 1 58 58 CYS C C 13 177.375 0.052 . 1 . . . . . 57 CYS C . 51506 1 409 . 1 . 1 58 58 CYS CA C 13 65.578 0.063 . 1 . . . . . 57 CYS CA . 51506 1 410 . 1 . 1 58 58 CYS CB C 13 26.552 0.094 . 1 . . . . . 57 CYS CB . 51506 1 411 . 1 . 1 58 58 CYS N N 15 116.749 0.198 . 1 . . . . . 57 CYS N . 51506 1 412 . 1 . 1 59 59 LEU C C 13 180.251 0.074 . 1 . . . . . 58 LEU C . 51506 1 413 . 1 . 1 59 59 LEU CA C 13 58.339 0.102 . 1 . . . . . 58 LEU CA . 51506 1 414 . 1 . 1 59 59 LEU CB C 13 41.745 0.040 . 1 . . . . . 58 LEU CB . 51506 1 415 . 1 . 1 59 59 LEU CG C 13 26.950 0.074 . 1 . . . . . 58 LEU CG . 51506 1 416 . 1 . 1 59 59 LEU CD1 C 13 23.257 0.100 . 1 . . . . . 58 LEU CD1 . 51506 1 417 . 1 . 1 59 59 LEU N N 15 118.452 0.216 . 1 . . . . . 58 LEU N . 51506 1 418 . 1 . 1 60 60 ILE H H 1 7.718 0.016 . 1 . . . . . 59 ILE H . 51506 1 419 . 1 . 1 60 60 ILE HA H 1 4.159 0.004 . 1 . . . . . 59 ILE HA . 51506 1 420 . 1 . 1 60 60 ILE C C 13 179.383 0.060 . 1 . . . . . 59 ILE C . 51506 1 421 . 1 . 1 60 60 ILE CA C 13 63.694 0.150 . 1 . . . . . 59 ILE CA . 51506 1 422 . 1 . 1 60 60 ILE CB C 13 37.557 0.064 . 1 . . . . . 59 ILE CB . 51506 1 423 . 1 . 1 60 60 ILE CG1 C 13 29.756 0.035 . 1 . . . . . 59 ILE CG1 . 51506 1 424 . 1 . 1 60 60 ILE CG2 C 13 16.917 0.109 . 1 . . . . . 59 ILE CG2 . 51506 1 425 . 1 . 1 60 60 ILE N N 15 121.533 0.197 . 1 . . . . . 59 ILE N . 51506 1 426 . 1 . 1 61 61 HIS H H 1 8.514 0.007 . 1 . . . . . 60 HIS H . 51506 1 427 . 1 . 1 61 61 HIS HA H 1 5.027 0.025 . 1 . . . . . 60 HIS HA . 51506 1 428 . 1 . 1 61 61 HIS C C 13 177.895 0.120 . 1 . . . . . 60 HIS C . 51506 1 429 . 1 . 1 61 61 HIS CA C 13 57.801 0.188 . 1 . . . . . 60 HIS CA . 51506 1 430 . 1 . 1 61 61 HIS CB C 13 28.423 0.137 . 1 . . . . . 60 HIS CB . 51506 1 431 . 1 . 1 61 61 HIS CG C 13 128.440 0.175 . 1 . . . . . 60 HIS CG . 51506 1 432 . 1 . 1 61 61 HIS CE1 C 13 138.091 0.036 . 1 . . . . . 60 HIS CE1 . 51506 1 433 . 1 . 1 61 61 HIS N N 15 123.901 0.242 . 1 . . . . . 60 HIS N . 51506 1 434 . 1 . 1 62 62 LYS C C 13 178.199 0.119 . 1 . . . . . 61 LYS C . 51506 1 435 . 1 . 1 62 62 LYS CA C 13 59.188 0.118 . 1 . . . . . 61 LYS CA . 51506 1 436 . 1 . 1 62 62 LYS CB C 13 32.035 0.059 . 1 . . . . . 61 LYS CB . 51506 1 437 . 1 . 1 62 62 LYS CE C 13 42.033 0.042 . 1 . . . . . 61 LYS CE . 51506 1 438 . 1 . 1 62 62 LYS N N 15 121.711 0.137 . 1 . . . . . 61 LYS N . 51506 1 439 . 1 . 1 63 63 ALA H H 1 7.836 0.003 . 1 . . . . . 62 ALA H . 51506 1 440 . 1 . 1 63 63 ALA HA H 1 4.237 0.000 . 1 . . . . . 62 ALA HA . 51506 1 441 . 1 . 1 63 63 ALA C C 13 180.693 0.066 . 1 . . . . . 62 ALA C . 51506 1 442 . 1 . 1 63 63 ALA CA C 13 55.011 0.080 . 1 . . . . . 62 ALA CA . 51506 1 443 . 1 . 1 63 63 ALA CB C 13 18.269 0.090 . 1 . . . . . 62 ALA CB . 51506 1 444 . 1 . 1 63 63 ALA N N 15 120.556 0.235 . 1 . . . . . 62 ALA N . 51506 1 445 . 1 . 1 64 64 THR H H 1 8.139 0.004 . 1 . . . . . 63 THR H . 51506 1 446 . 1 . 1 64 64 THR HA H 1 3.831 0.014 . 1 . . . . . 63 THR HA . 51506 1 447 . 1 . 1 64 64 THR C C 13 175.838 0.047 . 1 . . . . . 63 THR C . 51506 1 448 . 1 . 1 64 64 THR CA C 13 66.955 0.104 . 1 . . . . . 63 THR CA . 51506 1 449 . 1 . 1 64 64 THR CB C 13 68.090 0.079 . 1 . . . . . 63 THR CB . 51506 1 450 . 1 . 1 64 64 THR CG2 C 13 21.741 0.056 . 1 . . . . . 63 THR CG2 . 51506 1 451 . 1 . 1 64 64 THR N N 15 115.980 0.172 . 1 . . . . . 63 THR N . 51506 1 452 . 1 . 1 65 65 LEU H H 1 8.843 0.000 . 1 . . . . . 64 LEU H . 51506 1 453 . 1 . 1 65 65 LEU C C 13 180.368 0.095 . 1 . . . . . 64 LEU C . 51506 1 454 . 1 . 1 65 65 LEU CA C 13 57.939 0.115 . 1 . . . . . 64 LEU CA . 51506 1 455 . 1 . 1 65 65 LEU CB C 13 41.399 0.001 . 1 . . . . . 64 LEU CB . 51506 1 456 . 1 . 1 65 65 LEU N N 15 123.073 0.127 . 1 . . . . . 64 LEU N . 51506 1 457 . 1 . 1 66 66 ASP H H 1 8.414 0.026 . 1 . . . . . 65 ASP H . 51506 1 458 . 1 . 1 66 66 ASP HA H 1 4.390 0.007 . 1 . . . . . 65 ASP HA . 51506 1 459 . 1 . 1 66 66 ASP C C 13 178.490 0.088 . 1 . . . . . 65 ASP C . 51506 1 460 . 1 . 1 66 66 ASP CA C 13 56.987 0.083 . 1 . . . . . 65 ASP CA . 51506 1 461 . 1 . 1 66 66 ASP CB C 13 39.902 0.068 . 1 . . . . . 65 ASP CB . 51506 1 462 . 1 . 1 66 66 ASP N N 15 120.397 0.123 . 1 . . . . . 65 ASP N . 51506 1 463 . 1 . 1 67 67 LEU H H 1 7.461 0.006 . 1 . . . . . 66 LEU H . 51506 1 464 . 1 . 1 67 67 LEU HA H 1 4.397 0.000 . 1 . . . . . 66 LEU HA . 51506 1 465 . 1 . 1 67 67 LEU C C 13 179.031 0.051 . 1 . . . . . 66 LEU C . 51506 1 466 . 1 . 1 67 67 LEU CA C 13 56.875 0.129 . 1 . . . . . 66 LEU CA . 51506 1 467 . 1 . 1 67 67 LEU CB C 13 42.138 0.045 . 1 . . . . . 66 LEU CB . 51506 1 468 . 1 . 1 67 67 LEU N N 15 120.202 0.105 . 1 . . . . . 66 LEU N . 51506 1 469 . 1 . 1 68 68 ALA H H 1 8.282 0.000 . 1 . . . . . 67 ALA H . 51506 1 470 . 1 . 1 68 68 ALA HA H 1 4.058 0.013 . 1 . . . . . 67 ALA HA . 51506 1 471 . 1 . 1 68 68 ALA C C 13 178.849 0.066 . 1 . . . . . 67 ALA C . 51506 1 472 . 1 . 1 68 68 ALA CA C 13 53.978 0.085 . 1 . . . . . 67 ALA CA . 51506 1 473 . 1 . 1 68 68 ALA CB C 13 18.855 0.114 . 1 . . . . . 67 ALA CB . 51506 1 474 . 1 . 1 68 68 ALA N N 15 121.234 0.184 . 1 . . . . . 67 ALA N . 51506 1 475 . 1 . 1 69 69 GLY CA C 13 46.024 0.000 . 1 . . . . . 68 GLY CA . 51506 1 476 . 1 . 1 69 69 GLY N N 15 104.147 0.101 . 1 . . . . . 68 GLY N . 51506 1 477 . 1 . 1 77 77 LYS C C 13 175.137 0.111 . 1 . . . . . 76 LYS C . 51506 1 478 . 1 . 1 77 77 LYS CA C 13 61.589 0.135 . 1 . . . . . 76 LYS CA . 51506 1 479 . 1 . 1 77 77 LYS CB C 13 30.147 0.076 . 1 . . . . . 76 LYS CB . 51506 1 480 . 1 . 1 77 77 LYS CE C 13 42.303 0.000 . 1 . . . . . 76 LYS CE . 51506 1 481 . 1 . 1 77 77 LYS N N 15 118.115 0.135 . 1 . . . . . 76 LYS N . 51506 1 482 . 1 . 1 78 78 PRO HA H 1 4.403 0.012 . 1 . . . . . 77 PRO HA . 51506 1 483 . 1 . 1 78 78 PRO C C 13 179.817 0.079 . 1 . . . . . 77 PRO C . 51506 1 484 . 1 . 1 78 78 PRO CA C 13 65.646 0.084 . 1 . . . . . 77 PRO CA . 51506 1 485 . 1 . 1 78 78 PRO CB C 13 30.954 0.056 . 1 . . . . . 77 PRO CB . 51506 1 486 . 1 . 1 78 78 PRO CG C 13 28.331 0.058 . 1 . . . . . 77 PRO CG . 51506 1 487 . 1 . 1 78 78 PRO CD C 13 50.006 0.054 . 1 . . . . . 77 PRO CD . 51506 1 488 . 1 . 1 78 78 PRO N N 15 134.593 0.132 . 1 . . . . . 77 PRO N . 51506 1 489 . 1 . 1 79 79 LEU H H 1 7.267 0.000 . 1 . . . . . 78 LEU H . 51506 1 490 . 1 . 1 79 79 LEU C C 13 178.039 0.065 . 1 . . . . . 78 LEU C . 51506 1 491 . 1 . 1 79 79 LEU CA C 13 57.380 0.107 . 1 . . . . . 78 LEU CA . 51506 1 492 . 1 . 1 79 79 LEU CB C 13 41.849 0.009 . 1 . . . . . 78 LEU CB . 51506 1 493 . 1 . 1 79 79 LEU CG C 13 27.496 0.000 . 1 . . . . . 78 LEU CG . 51506 1 494 . 1 . 1 79 79 LEU N N 15 120.028 0.267 . 1 . . . . . 78 LEU N . 51506 1 495 . 1 . 1 80 80 ILE H H 1 8.151 0.000 . 1 . . . . . 79 ILE H . 51506 1 496 . 1 . 1 80 80 ILE C C 13 178.386 0.051 . 1 . . . . . 79 ILE C . 51506 1 497 . 1 . 1 80 80 ILE CA C 13 64.325 0.155 . 1 . . . . . 79 ILE CA . 51506 1 498 . 1 . 1 80 80 ILE CB C 13 37.486 0.049 . 1 . . . . . 79 ILE CB . 51506 1 499 . 1 . 1 80 80 ILE CG1 C 13 29.240 0.101 . 1 . . . . . 79 ILE CG1 . 51506 1 500 . 1 . 1 80 80 ILE CG2 C 13 16.702 0.016 . 1 . . . . . 79 ILE CG2 . 51506 1 501 . 1 . 1 80 80 ILE CD1 C 13 12.819 0.014 . 1 . . . . . 79 ILE CD1 . 51506 1 502 . 1 . 1 80 80 ILE N N 15 120.884 0.261 . 1 . . . . . 79 ILE N . 51506 1 503 . 1 . 1 81 81 GLU H H 1 8.225 0.003 . 1 . . . . . 80 GLU H . 51506 1 504 . 1 . 1 81 81 GLU HA H 1 4.011 0.011 . 1 . . . . . 80 GLU HA . 51506 1 505 . 1 . 1 81 81 GLU HB2 H 1 1.979 0.024 . 1 . . . . . 80 GLU HB2 . 51506 1 506 . 1 . 1 81 81 GLU C C 13 179.146 0.059 . 1 . . . . . 80 GLU C . 51506 1 507 . 1 . 1 81 81 GLU CA C 13 59.263 0.106 . 1 . . . . . 80 GLU CA . 51506 1 508 . 1 . 1 81 81 GLU CB C 13 29.245 0.051 . 1 . . . . . 80 GLU CB . 51506 1 509 . 1 . 1 81 81 GLU CG C 13 36.478 0.032 . 1 . . . . . 80 GLU CG . 51506 1 510 . 1 . 1 81 81 GLU CD C 13 183.381 0.062 . 1 . . . . . 80 GLU CD . 51506 1 511 . 1 . 1 81 81 GLU N N 15 118.063 0.206 . 1 . . . . . 80 GLU N . 51506 1 512 . 1 . 1 82 82 ALA H H 1 7.844 0.010 . 1 . . . . . 81 ALA H . 51506 1 513 . 1 . 1 82 82 ALA HA H 1 4.131 0.003 . 1 . . . . . 81 ALA HA . 51506 1 514 . 1 . 1 82 82 ALA C C 13 180.577 0.080 . 1 . . . . . 81 ALA C . 51506 1 515 . 1 . 1 82 82 ALA CA C 13 55.194 0.070 . 1 . . . . . 81 ALA CA . 51506 1 516 . 1 . 1 82 82 ALA CB C 13 17.849 0.058 . 1 . . . . . 81 ALA CB . 51506 1 517 . 1 . 1 82 82 ALA N N 15 121.168 0.217 . 1 . . . . . 81 ALA N . 51506 1 518 . 1 . 1 83 83 MET H H 1 8.255 0.000 . 1 . . . . . 82 MET H . 51506 1 519 . 1 . 1 83 83 MET HB2 H 1 2.259 0.000 . 1 . . . . . 82 MET HB2 . 51506 1 520 . 1 . 1 83 83 MET C C 13 178.080 0.086 . 1 . . . . . 82 MET C . 51506 1 521 . 1 . 1 83 83 MET CA C 13 60.076 0.093 . 1 . . . . . 82 MET CA . 51506 1 522 . 1 . 1 83 83 MET CB C 13 33.872 0.094 . 1 . . . . . 82 MET CB . 51506 1 523 . 1 . 1 83 83 MET N N 15 117.594 0.386 . 1 . . . . . 82 MET N . 51506 1 524 . 1 . 1 84 84 GLN C C 13 179.642 0.149 . 1 . . . . . 83 GLN C . 51506 1 525 . 1 . 1 84 84 GLN CA C 13 59.152 0.062 . 1 . . . . . 83 GLN CA . 51506 1 526 . 1 . 1 84 84 GLN CB C 13 28.296 0.045 . 1 . . . . . 83 GLN CB . 51506 1 527 . 1 . 1 84 84 GLN CG C 13 34.230 0.083 . 1 . . . . . 83 GLN CG . 51506 1 528 . 1 . 1 84 84 GLN N N 15 117.699 0.178 . 1 . . . . . 83 GLN N . 51506 1 529 . 1 . 1 84 84 GLN NE2 N 15 110.916 0.002 . 1 . . . . . 83 GLN NE2 . 51506 1 530 . 1 . 1 85 85 GLN C C 13 179.305 0.126 . 1 . . . . . 84 GLN C . 51506 1 531 . 1 . 1 85 85 GLN CA C 13 58.704 0.079 . 1 . . . . . 84 GLN CA . 51506 1 532 . 1 . 1 85 85 GLN CB C 13 27.986 0.060 . 1 . . . . . 84 GLN CB . 51506 1 533 . 1 . 1 85 85 GLN CG C 13 33.815 0.018 . 1 . . . . . 84 GLN CG . 51506 1 534 . 1 . 1 85 85 GLN N N 15 117.795 0.135 . 1 . . . . . 84 GLN N . 51506 1 535 . 1 . 1 86 86 ILE H H 1 8.474 0.016 . 1 . . . . . 85 ILE H . 51506 1 536 . 1 . 1 86 86 ILE HA H 1 3.907 0.020 . 1 . . . . . 85 ILE HA . 51506 1 537 . 1 . 1 86 86 ILE C C 13 178.058 0.124 . 1 . . . . . 85 ILE C . 51506 1 538 . 1 . 1 86 86 ILE CA C 13 65.588 0.127 . 1 . . . . . 85 ILE CA . 51506 1 539 . 1 . 1 86 86 ILE CB C 13 38.293 0.070 . 1 . . . . . 85 ILE CB . 51506 1 540 . 1 . 1 86 86 ILE CG1 C 13 29.491 0.079 . 1 . . . . . 85 ILE CG1 . 51506 1 541 . 1 . 1 86 86 ILE CG2 C 13 18.299 0.085 . 1 . . . . . 85 ILE CG2 . 51506 1 542 . 1 . 1 86 86 ILE CD1 C 13 14.439 0.146 . 1 . . . . . 85 ILE CD1 . 51506 1 543 . 1 . 1 86 86 ILE N N 15 122.950 0.371 . 1 . . . . . 85 ILE N . 51506 1 544 . 1 . 1 87 87 ILE H H 1 8.206 0.002 . 1 . . . . . 86 ILE H . 51506 1 545 . 1 . 1 87 87 ILE HA H 1 3.962 0.040 . 1 . . . . . 86 ILE HA . 51506 1 546 . 1 . 1 87 87 ILE C C 13 180.030 0.069 . 1 . . . . . 86 ILE C . 51506 1 547 . 1 . 1 87 87 ILE CA C 13 66.094 0.136 . 1 . . . . . 86 ILE CA . 51506 1 548 . 1 . 1 87 87 ILE CB C 13 38.450 0.067 . 1 . . . . . 86 ILE CB . 51506 1 549 . 1 . 1 87 87 ILE CG1 C 13 29.891 0.045 . 1 . . . . . 86 ILE CG1 . 51506 1 550 . 1 . 1 87 87 ILE CG2 C 13 17.321 0.041 . 1 . . . . . 86 ILE CG2 . 51506 1 551 . 1 . 1 87 87 ILE CD1 C 13 14.503 0.040 . 1 . . . . . 86 ILE CD1 . 51506 1 552 . 1 . 1 87 87 ILE N N 15 119.531 0.221 . 1 . . . . . 86 ILE N . 51506 1 553 . 1 . 1 88 88 LEU H H 1 7.920 0.042 . 1 . . . . . 87 LEU H . 51506 1 554 . 1 . 1 88 88 LEU HA H 1 4.016 0.010 . 1 . . . . . 87 LEU HA . 51506 1 555 . 1 . 1 88 88 LEU C C 13 178.914 0.158 . 1 . . . . . 87 LEU C . 51506 1 556 . 1 . 1 88 88 LEU CA C 13 58.548 0.130 . 1 . . . . . 87 LEU CA . 51506 1 557 . 1 . 1 88 88 LEU CB C 13 41.888 0.161 . 1 . . . . . 87 LEU CB . 51506 1 558 . 1 . 1 88 88 LEU CG C 13 27.031 0.053 . 1 . . . . . 87 LEU CG . 51506 1 559 . 1 . 1 88 88 LEU N N 15 121.537 0.168 . 1 . . . . . 87 LEU N . 51506 1 560 . 1 . 1 89 89 ALA H H 1 8.449 0.009 . 1 . . . . . 88 ALA H . 51506 1 561 . 1 . 1 89 89 ALA HA H 1 4.163 0.017 . 1 . . . . . 88 ALA HA . 51506 1 562 . 1 . 1 89 89 ALA C C 13 181.016 0.077 . 1 . . . . . 88 ALA C . 51506 1 563 . 1 . 1 89 89 ALA CA C 13 55.334 0.081 . 1 . . . . . 88 ALA CA . 51506 1 564 . 1 . 1 89 89 ALA CB C 13 18.557 0.092 . 1 . . . . . 88 ALA CB . 51506 1 565 . 1 . 1 89 89 ALA N N 15 122.145 0.280 . 1 . . . . . 88 ALA N . 51506 1 566 . 1 . 1 90 90 MET H H 1 9.437 0.040 . 1 . . . . . 89 MET H . 51506 1 567 . 1 . 1 90 90 MET HA H 1 4.238 0.002 . 1 . . . . . 89 MET HA . 51506 1 568 . 1 . 1 90 90 MET C C 13 179.388 0.119 . 1 . . . . . 89 MET C . 51506 1 569 . 1 . 1 90 90 MET CA C 13 59.984 0.130 . 1 . . . . . 89 MET CA . 51506 1 570 . 1 . 1 90 90 MET CB C 13 33.007 0.056 . 1 . . . . . 89 MET CB . 51506 1 571 . 1 . 1 90 90 MET CG C 13 35.329 0.105 . 1 . . . . . 89 MET CG . 51506 1 572 . 1 . 1 90 90 MET CE C 13 18.550 0.092 . 1 . . . . . 89 MET CE . 51506 1 573 . 1 . 1 90 90 MET N N 15 116.318 0.180 . 1 . . . . . 89 MET N . 51506 1 574 . 1 . 1 92 92 ARG HE H 1 7.547 0.031 . 1 . . . . . 91 ARG HE . 51506 1 575 . 1 . 1 92 92 ARG HH11 H 1 5.945 0.000 . 1 . . . . . 91 ARG HH11 . 51506 1 576 . 1 . 1 92 92 ARG C C 13 180.870 0.102 . 1 . . . . . 91 ARG C . 51506 1 577 . 1 . 1 92 92 ARG CA C 13 59.922 0.076 . 1 . . . . . 91 ARG CA . 51506 1 578 . 1 . 1 92 92 ARG CB C 13 30.083 0.026 . 1 . . . . . 91 ARG CB . 51506 1 579 . 1 . 1 92 92 ARG CG C 13 26.452 0.000 . 1 . . . . . 91 ARG CG . 51506 1 580 . 1 . 1 92 92 ARG CD C 13 44.407 0.102 . 1 . . . . . 91 ARG CD . 51506 1 581 . 1 . 1 92 92 ARG CZ C 13 159.406 0.041 . 1 . . . . . 91 ARG CZ . 51506 1 582 . 1 . 1 92 92 ARG NE N 15 82.917 0.043 . 1 . . . . . 91 ARG NE . 51506 1 583 . 1 . 1 92 92 ARG NH1 N 15 74.679 0.058 . 1 . . . . . 91 ARG NH1 . 51506 1 584 . 1 . 1 92 92 ARG NH2 N 15 70.476 0.000 . 1 . . . . . 91 ARG NH2 . 51506 1 585 . 1 . 1 93 93 GLU H H 1 8.644 0.019 . 1 . . . . . 92 GLU H . 51506 1 586 . 1 . 1 93 93 GLU HA H 1 3.979 0.006 . 1 . . . . . 92 GLU HA . 51506 1 587 . 1 . 1 93 93 GLU C C 13 180.966 0.103 . 1 . . . . . 92 GLU C . 51506 1 588 . 1 . 1 93 93 GLU CA C 13 60.016 0.104 . 1 . . . . . 92 GLU CA . 51506 1 589 . 1 . 1 93 93 GLU CB C 13 29.827 0.122 . 1 . . . . . 92 GLU CB . 51506 1 590 . 1 . 1 93 93 GLU CG C 13 36.150 0.029 . 1 . . . . . 92 GLU CG . 51506 1 591 . 1 . 1 93 93 GLU CD C 13 182.456 0.017 . 1 . . . . . 92 GLU CD . 51506 1 592 . 1 . 1 93 93 GLU N N 15 121.503 0.256 . 1 . . . . . 92 GLU N . 51506 1 593 . 1 . 1 94 94 LEU H H 1 9.393 0.017 . 1 . . . . . 93 LEU H . 51506 1 594 . 1 . 1 94 94 LEU HA H 1 4.136 0.000 . 1 . . . . . 93 LEU HA . 51506 1 595 . 1 . 1 94 94 LEU C C 13 178.780 0.080 . 1 . . . . . 93 LEU C . 51506 1 596 . 1 . 1 94 94 LEU CA C 13 58.011 0.061 . 1 . . . . . 93 LEU CA . 51506 1 597 . 1 . 1 94 94 LEU CB C 13 43.834 0.052 . 1 . . . . . 93 LEU CB . 51506 1 598 . 1 . 1 94 94 LEU CG C 13 27.167 0.099 . 1 . . . . . 93 LEU CG . 51506 1 599 . 1 . 1 94 94 LEU CD1 C 13 24.908 0.046 . 1 . . . . . 93 LEU CD1 . 51506 1 600 . 1 . 1 94 94 LEU N N 15 122.164 0.166 . 1 . . . . . 93 LEU N . 51506 1 601 . 1 . 1 95 95 TRP H H 1 8.828 0.030 . 1 . . . . . 94 TRP H . 51506 1 602 . 1 . 1 95 95 TRP HA H 1 4.870 0.029 . 1 . . . . . 94 TRP HA . 51506 1 603 . 1 . 1 95 95 TRP HD1 H 1 6.851 0.000 . 1 . . . . . 94 TRP HD1 . 51506 1 604 . 1 . 1 95 95 TRP C C 13 178.032 0.074 . 1 . . . . . 94 TRP C . 51506 1 605 . 1 . 1 95 95 TRP CA C 13 59.686 0.112 . 1 . . . . . 94 TRP CA . 51506 1 606 . 1 . 1 95 95 TRP CB C 13 30.107 0.065 . 1 . . . . . 94 TRP CB . 51506 1 607 . 1 . 1 95 95 TRP CG C 13 112.148 0.145 . 1 . . . . . 94 TRP CG . 51506 1 608 . 1 . 1 95 95 TRP CD1 C 13 126.881 0.024 . 1 . . . . . 94 TRP CD1 . 51506 1 609 . 1 . 1 95 95 TRP N N 15 119.861 0.126 . 1 . . . . . 94 TRP N . 51506 1 610 . 1 . 1 96 96 GLY H H 1 8.007 0.026 . 1 . . . . . 95 GLY H . 51506 1 611 . 1 . 1 96 96 GLY HA2 H 1 4.060 0.022 . 2 . . . . . 95 GLY HA2 . 51506 1 612 . 1 . 1 96 96 GLY HA3 H 1 3.504 0.029 . 2 . . . . . 95 GLY HA3 . 51506 1 613 . 1 . 1 96 96 GLY C C 13 174.634 0.051 . 1 . . . . . 95 GLY C . 51506 1 614 . 1 . 1 96 96 GLY CA C 13 47.885 0.070 . 1 . . . . . 95 GLY CA . 51506 1 615 . 1 . 1 96 96 GLY N N 15 105.039 0.124 . 1 . . . . . 95 GLY N . 51506 1 616 . 1 . 1 97 97 GLN H H 1 8.383 0.000 . 1 . . . . . 96 GLN H . 51506 1 617 . 1 . 1 97 97 GLN CA C 13 60.549 0.183 . 1 . . . . . 96 GLN CA . 51506 1 618 . 1 . 1 97 97 GLN CB C 13 31.752 0.000 . 1 . . . . . 96 GLN CB . 51506 1 619 . 1 . 1 97 97 GLN N N 15 121.719 0.246 . 1 . . . . . 96 GLN N . 51506 1 620 . 1 . 1 98 98 ILE HA H 1 3.351 0.000 . 1 . . . . . 97 ILE HA . 51506 1 621 . 1 . 1 98 98 ILE C C 13 177.050 0.087 . 1 . . . . . 97 ILE C . 51506 1 622 . 1 . 1 98 98 ILE CA C 13 65.368 0.119 . 1 . . . . . 97 ILE CA . 51506 1 623 . 1 . 1 98 98 ILE CB C 13 38.168 0.079 . 1 . . . . . 97 ILE CB . 51506 1 624 . 1 . 1 98 98 ILE CG1 C 13 29.854 0.000 . 1 . . . . . 97 ILE CG1 . 51506 1 625 . 1 . 1 98 98 ILE CG2 C 13 17.063 0.000 . 1 . . . . . 97 ILE CG2 . 51506 1 626 . 1 . 1 98 98 ILE N N 15 122.680 0.181 . 1 . . . . . 97 ILE N . 51506 1 627 . 1 . 1 101 101 HIS C C 13 176.445 0.000 . 1 . . . . . 100 HIS C . 51506 1 628 . 1 . 1 102 102 HIS H H 1 7.288 0.000 . 1 . . . . . 101 HIS H . 51506 1 629 . 1 . 1 102 102 HIS C C 13 176.603 0.198 . 1 . . . . . 101 HIS C . 51506 1 630 . 1 . 1 102 102 HIS CA C 13 58.944 0.136 . 1 . . . . . 101 HIS CA . 51506 1 631 . 1 . 1 102 102 HIS CB C 13 30.603 0.102 . 1 . . . . . 101 HIS CB . 51506 1 632 . 1 . 1 102 102 HIS CG C 13 136.373 0.000 . 1 . . . . . 101 HIS CG . 51506 1 633 . 1 . 1 102 102 HIS CD2 C 13 117.164 0.028 . 1 . . . . . 101 HIS CD2 . 51506 1 634 . 1 . 1 102 102 HIS CE1 C 13 137.534 0.010 . 1 . . . . . 101 HIS CE1 . 51506 1 635 . 1 . 1 102 102 HIS N N 15 114.236 0.064 . 1 . . . . . 101 HIS N . 51506 1 636 . 1 . 1 103 103 TYR HA H 1 4.870 0.016 . 1 . . . . . 102 TYR HA . 51506 1 637 . 1 . 1 103 103 TYR C C 13 176.936 0.042 . 1 . . . . . 102 TYR C . 51506 1 638 . 1 . 1 103 103 TYR CA C 13 57.480 0.156 . 1 . . . . . 102 TYR CA . 51506 1 639 . 1 . 1 103 103 TYR CB C 13 41.872 0.180 . 1 . . . . . 102 TYR CB . 51506 1 640 . 1 . 1 103 103 TYR CG C 13 128.939 0.175 . 1 . . . . . 102 TYR CG . 51506 1 641 . 1 . 1 103 103 TYR N N 15 114.102 0.181 . 1 . . . . . 102 TYR N . 51506 1 642 . 1 . 1 104 104 GLY H H 1 7.957 0.020 . 1 . . . . . 103 GLY H . 51506 1 643 . 1 . 1 104 104 GLY HA2 H 1 3.857 0.020 . 2 . . . . . 103 GLY HA2 . 51506 1 644 . 1 . 1 104 104 GLY HA3 H 1 4.506 0.019 . 2 . . . . . 103 GLY HA3 . 51506 1 645 . 1 . 1 104 104 GLY C C 13 173.449 0.061 . 1 . . . . . 103 GLY C . 51506 1 646 . 1 . 1 104 104 GLY CA C 13 44.164 0.079 . 1 . . . . . 103 GLY CA . 51506 1 647 . 1 . 1 104 104 GLY N N 15 109.910 0.214 . 1 . . . . . 103 GLY N . 51506 1 648 . 1 . 1 105 105 ILE N N 15 123.978 0.104 . 1 . . . . . 104 ILE N . 51506 1 649 . 1 . 1 111 111 TYR C C 13 177.140 0.100 . 1 . . . . . 110 TYR C . 51506 1 650 . 1 . 1 111 111 TYR CA C 13 60.585 0.160 . 1 . . . . . 110 TYR CA . 51506 1 651 . 1 . 1 111 111 TYR CB C 13 38.186 0.154 . 1 . . . . . 110 TYR CB . 51506 1 652 . 1 . 1 111 111 TYR CD1 C 13 133.082 0.151 . 1 . . . . . 110 TYR CD1 . 51506 1 653 . 1 . 1 111 111 TYR CD2 C 13 133.082 0.151 . 1 . . . . . 110 TYR CD2 . 51506 1 654 . 1 . 1 111 111 TYR CE1 C 13 117.725 0.160 . 1 . . . . . 110 TYR CE1 . 51506 1 655 . 1 . 1 111 111 TYR CE2 C 13 117.725 0.160 . 1 . . . . . 110 TYR CE2 . 51506 1 656 . 1 . 1 111 111 TYR CZ C 13 157.197 0.000 . 1 . . . . . 110 TYR CZ . 51506 1 657 . 1 . 1 111 111 TYR N N 15 120.558 0.231 . 1 . . . . . 110 TYR N . 51506 1 658 . 1 . 1 112 112 VAL C C 13 179.286 0.014 . 1 . . . . . 111 VAL C . 51506 1 659 . 1 . 1 112 112 VAL CA C 13 66.898 0.097 . 1 . . . . . 111 VAL CA . 51506 1 660 . 1 . 1 112 112 VAL CB C 13 31.537 0.089 . 1 . . . . . 111 VAL CB . 51506 1 661 . 1 . 1 112 112 VAL CG1 C 13 23.749 0.031 . 2 . . . . . 111 VAL CG1 . 51506 1 662 . 1 . 1 112 112 VAL CG2 C 13 21.412 0.072 . 2 . . . . . 111 VAL CG2 . 51506 1 663 . 1 . 1 112 112 VAL N N 15 118.859 0.235 . 1 . . . . . 111 VAL N . 51506 1 664 . 1 . 1 113 113 LYS N N 15 121.065 0.253 . 1 . . . . . 112 LYS N . 51506 1 665 . 1 . 1 116 116 THR HA H 1 4.046 0.042 . 1 . . . . . 115 THR HA . 51506 1 666 . 1 . 1 116 116 THR C C 13 175.612 0.030 . 1 . . . . . 115 THR C . 51506 1 667 . 1 . 1 116 116 THR CA C 13 66.859 0.080 . 1 . . . . . 115 THR CA . 51506 1 668 . 1 . 1 116 116 THR CB C 13 68.504 0.098 . 1 . . . . . 115 THR CB . 51506 1 669 . 1 . 1 116 116 THR CG2 C 13 20.454 0.033 . 1 . . . . . 115 THR CG2 . 51506 1 670 . 1 . 1 116 116 THR N N 15 119.583 0.101 . 1 . . . . . 115 THR N . 51506 1 671 . 1 . 1 118 118 TRP HD1 H 1 7.234 0.015 . 1 . . . . . 117 TRP HD1 . 51506 1 672 . 1 . 1 118 118 TRP HE1 H 1 9.667 0.077 . 1 . . . . . 117 TRP HE1 . 51506 1 673 . 1 . 1 118 118 TRP C C 13 178.312 0.069 . 1 . . . . . 117 TRP C . 51506 1 674 . 1 . 1 118 118 TRP CA C 13 63.394 0.203 . 1 . . . . . 117 TRP CA . 51506 1 675 . 1 . 1 118 118 TRP CB C 13 28.596 0.132 . 1 . . . . . 117 TRP CB . 51506 1 676 . 1 . 1 118 118 TRP CG C 13 111.611 0.148 . 1 . . . . . 117 TRP CG . 51506 1 677 . 1 . 1 118 118 TRP CD1 C 13 127.509 0.060 . 1 . . . . . 117 TRP CD1 . 51506 1 678 . 1 . 1 118 118 TRP CD2 C 13 129.775 0.030 . 1 . . . . . 117 TRP CD2 . 51506 1 679 . 1 . 1 118 118 TRP CE3 C 13 119.941 0.000 . 1 . . . . . 117 TRP CE3 . 51506 1 680 . 1 . 1 118 118 TRP N N 15 121.809 0.101 . 1 . . . . . 117 TRP N . 51506 1 681 . 1 . 1 118 118 TRP NE1 N 15 130.933 0.076 . 1 . . . . . 117 TRP NE1 . 51506 1 682 . 1 . 1 119 119 GLN H H 1 8.066 0.000 . 1 . . . . . 118 GLN H . 51506 1 683 . 1 . 1 119 119 GLN HA H 1 3.524 0.000 . 1 . . . . . 118 GLN HA . 51506 1 684 . 1 . 1 119 119 GLN C C 13 177.560 0.103 . 1 . . . . . 118 GLN C . 51506 1 685 . 1 . 1 119 119 GLN CA C 13 58.413 0.099 . 1 . . . . . 118 GLN CA . 51506 1 686 . 1 . 1 119 119 GLN CB C 13 28.612 0.000 . 1 . . . . . 118 GLN CB . 51506 1 687 . 1 . 1 119 119 GLN N N 15 116.077 0.113 . 1 . . . . . 118 GLN N . 51506 1 688 . 1 . 1 120 120 ASP H H 1 7.556 0.025 . 1 . . . . . 119 ASP H . 51506 1 689 . 1 . 1 120 120 ASP HA H 1 4.645 0.013 . 1 . . . . . 119 ASP HA . 51506 1 690 . 1 . 1 120 120 ASP C C 13 176.037 0.053 . 1 . . . . . 119 ASP C . 51506 1 691 . 1 . 1 120 120 ASP CA C 13 54.522 0.111 . 1 . . . . . 119 ASP CA . 51506 1 692 . 1 . 1 120 120 ASP CB C 13 41.241 0.110 . 1 . . . . . 119 ASP CB . 51506 1 693 . 1 . 1 120 120 ASP CG C 13 179.722 0.055 . 1 . . . . . 119 ASP CG . 51506 1 694 . 1 . 1 120 120 ASP N N 15 116.445 0.176 . 1 . . . . . 119 ASP N . 51506 1 695 . 1 . 1 121 121 THR H H 1 7.471 0.034 . 1 . . . . . 120 THR H . 51506 1 696 . 1 . 1 121 121 THR HA H 1 4.284 0.022 . 1 . . . . . 120 THR HA . 51506 1 697 . 1 . 1 121 121 THR C C 13 171.890 0.030 . 1 . . . . . 120 THR C . 51506 1 698 . 1 . 1 121 121 THR CA C 13 62.121 0.105 . 1 . . . . . 120 THR CA . 51506 1 699 . 1 . 1 121 121 THR CB C 13 70.220 0.065 . 1 . . . . . 120 THR CB . 51506 1 700 . 1 . 1 121 121 THR CG2 C 13 19.755 0.095 . 1 . . . . . 120 THR CG2 . 51506 1 701 . 1 . 1 121 121 THR N N 15 121.615 0.107 . 1 . . . . . 120 THR N . 51506 1 702 . 1 . 1 122 122 PRO C C 13 177.531 0.052 . 1 . . . . . 121 PRO C . 51506 1 703 . 1 . 1 122 122 PRO CA C 13 63.949 0.049 . 1 . . . . . 121 PRO CA . 51506 1 704 . 1 . 1 122 122 PRO CB C 13 32.728 0.150 . 1 . . . . . 121 PRO CB . 51506 1 705 . 1 . 1 122 122 PRO CG C 13 27.909 0.014 . 1 . . . . . 121 PRO CG . 51506 1 706 . 1 . 1 122 122 PRO CD C 13 51.163 0.087 . 1 . . . . . 121 PRO CD . 51506 1 707 . 1 . 1 122 122 PRO N N 15 139.449 0.116 . 1 . . . . . 121 PRO N . 51506 1 708 . 1 . 1 123 123 GLN H H 1 8.352 0.018 . 1 . . . . . 122 GLN H . 51506 1 709 . 1 . 1 123 123 GLN HA H 1 3.367 0.033 . 1 . . . . . 122 GLN HA . 51506 1 710 . 1 . 1 123 123 GLN C C 13 177.079 0.134 . 1 . . . . . 122 GLN C . 51506 1 711 . 1 . 1 123 123 GLN CA C 13 59.859 0.146 . 1 . . . . . 122 GLN CA . 51506 1 712 . 1 . 1 123 123 GLN CB C 13 28.484 0.040 . 1 . . . . . 122 GLN CB . 51506 1 713 . 1 . 1 123 123 GLN CG C 13 33.287 0.068 . 1 . . . . . 122 GLN CG . 51506 1 714 . 1 . 1 123 123 GLN N N 15 123.019 0.266 . 1 . . . . . 122 GLN N . 51506 1 715 . 1 . 1 124 124 ALA H H 1 8.699 0.032 . 1 . . . . . 123 ALA H . 51506 1 716 . 1 . 1 124 124 ALA HA H 1 3.925 0.018 . 1 . . . . . 123 ALA HA . 51506 1 717 . 1 . 1 124 124 ALA C C 13 177.206 0.089 . 1 . . . . . 123 ALA C . 51506 1 718 . 1 . 1 124 124 ALA CA C 13 53.723 0.160 . 1 . . . . . 123 ALA CA . 51506 1 719 . 1 . 1 124 124 ALA CB C 13 18.119 0.175 . 1 . . . . . 123 ALA CB . 51506 1 720 . 1 . 1 124 124 ALA N N 15 119.254 0.153 . 1 . . . . . 123 ALA N . 51506 1 721 . 1 . 1 125 125 PHE HA H 1 4.899 0.000 . 1 . . . . . 124 PHE HA . 51506 1 722 . 1 . 1 125 125 PHE CA C 13 56.662 0.148 . 1 . . . . . 124 PHE CA . 51506 1 723 . 1 . 1 125 125 PHE N N 15 113.091 0.119 . 1 . . . . . 124 PHE N . 51506 1 stop_ save_