data_50434 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50434 _Entry.Title ; Backbone assignments of AEG12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-08-12 _Entry.Accession_date 2020-08-12 _Entry.Last_release_date 2020-08-12 _Entry.Original_release_date 2020-08-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone assignments of the mosquito protein AEG12, the first MA domain of the gene.' _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 Alexander Foo . C.Y. . 0000-0002-4331-2085 50434 2 Geoffrey Mueller . A. . 0000-0001-8361-5323 50434 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'National Institute of Environmental Health Sciences' . 50434 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50434 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 425 50434 '15N chemical shifts' 136 50434 '1H chemical shifts' 136 50434 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-06-30 . original BMRB . 50434 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6XRX 'Crystal structure of MBP fusion with AEG12' 50434 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50434 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33688047 _Citation.DOI 10.1073/pnas.2019251118 _Citation.Full_citation . _Citation.Title ; The mosquito protein AEG12 displays both cytolytic and antiviral properties via a common lipid transfer mechanism. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 118 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 e2019251118 _Citation.Page_last e2019251118 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alexander Foo . . . . 50434 1 2 Peter Thompson P. M. . . 50434 1 3 Shih-Heng Chen S. H. . . 50434 1 4 Ramesh Jadi R. . . . 50434 1 5 Brianna Lupo B. . . . 50434 1 6 Eugene DeRose E. F. . . 50434 1 7 Simrat Arora S. . . . 50434 1 8 Victoria Placentra V. C. . . 50434 1 9 Lakshmanane Premkumar L. . . . 50434 1 10 Lalith Perera L. . . . 50434 1 11 Lars Pedersen L. C. . . 50434 1 12 Negin Martin N. . . . 50434 1 13 Geoffrey Mueller G. A. . . 50434 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50434 _Assembly.ID 1 _Assembly.Name AEG12 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 8 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; AEG12 is thermally annealed with an excess equimolar mixture of palmitate, laureate, and stearate. The exact molar ratio in the NMR sample is unknown. ; _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 AEG12 1 $entity_1 . . yes native no no . . . 50434 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6XRX . . . . 'MBP fusion with AEG12' 'No lipids added, or density found' 50434 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50434 _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 ; GSAAAPDSRALKDDFQEFVD LVPVDKLVNVALQYLVSDKE FKEFFGYLQGEEFSAVWDQF FALNEVKDVLNYLEAADLAV YDALNTVADFLGLHHVKPTV HTLRTGGLTGFFDETVALLP LDKFEALFEEKLKTSPEFKA FFEKLRNLDYQKFVDFHNNS KEVQGFLQKLRSYGLDVDGF FNLVAGFFGWGKF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'AAEL013577-PB residues 20-207' _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 193 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50434 1 2 . SER . 50434 1 3 . ALA . 50434 1 4 . ALA . 50434 1 5 . ALA . 50434 1 6 . PRO . 50434 1 7 . ASP . 50434 1 8 . SER . 50434 1 9 . ARG . 50434 1 10 . ALA . 50434 1 11 . LEU . 50434 1 12 . LYS . 50434 1 13 . ASP . 50434 1 14 . ASP . 50434 1 15 . PHE . 50434 1 16 . GLN . 50434 1 17 . GLU . 50434 1 18 . PHE . 50434 1 19 . VAL . 50434 1 20 . ASP . 50434 1 21 . LEU . 50434 1 22 . VAL . 50434 1 23 . PRO . 50434 1 24 . VAL . 50434 1 25 . ASP . 50434 1 26 . LYS . 50434 1 27 . LEU . 50434 1 28 . VAL . 50434 1 29 . ASN . 50434 1 30 . VAL . 50434 1 31 . ALA . 50434 1 32 . LEU . 50434 1 33 . GLN . 50434 1 34 . TYR . 50434 1 35 . LEU . 50434 1 36 . VAL . 50434 1 37 . SER . 50434 1 38 . ASP . 50434 1 39 . LYS . 50434 1 40 . GLU . 50434 1 41 . PHE . 50434 1 42 . LYS . 50434 1 43 . GLU . 50434 1 44 . PHE . 50434 1 45 . PHE . 50434 1 46 . GLY . 50434 1 47 . TYR . 50434 1 48 . LEU . 50434 1 49 . GLN . 50434 1 50 . GLY . 50434 1 51 . GLU . 50434 1 52 . GLU . 50434 1 53 . PHE . 50434 1 54 . SER . 50434 1 55 . ALA . 50434 1 56 . VAL . 50434 1 57 . TRP . 50434 1 58 . ASP . 50434 1 59 . GLN . 50434 1 60 . PHE . 50434 1 61 . PHE . 50434 1 62 . ALA . 50434 1 63 . LEU . 50434 1 64 . ASN . 50434 1 65 . GLU . 50434 1 66 . VAL . 50434 1 67 . LYS . 50434 1 68 . ASP . 50434 1 69 . VAL . 50434 1 70 . LEU . 50434 1 71 . ASN . 50434 1 72 . TYR . 50434 1 73 . LEU . 50434 1 74 . GLU . 50434 1 75 . ALA . 50434 1 76 . ALA . 50434 1 77 . ASP . 50434 1 78 . LEU . 50434 1 79 . ALA . 50434 1 80 . VAL . 50434 1 81 . TYR . 50434 1 82 . ASP . 50434 1 83 . ALA . 50434 1 84 . LEU . 50434 1 85 . ASN . 50434 1 86 . THR . 50434 1 87 . VAL . 50434 1 88 . ALA . 50434 1 89 . ASP . 50434 1 90 . PHE . 50434 1 91 . LEU . 50434 1 92 . GLY . 50434 1 93 . LEU . 50434 1 94 . HIS . 50434 1 95 . HIS . 50434 1 96 . VAL . 50434 1 97 . LYS . 50434 1 98 . PRO . 50434 1 99 . THR . 50434 1 100 . VAL . 50434 1 101 . HIS . 50434 1 102 . THR . 50434 1 103 . LEU . 50434 1 104 . ARG . 50434 1 105 . THR . 50434 1 106 . GLY . 50434 1 107 . GLY . 50434 1 108 . LEU . 50434 1 109 . THR . 50434 1 110 . GLY . 50434 1 111 . PHE . 50434 1 112 . PHE . 50434 1 113 . ASP . 50434 1 114 . GLU . 50434 1 115 . THR . 50434 1 116 . VAL . 50434 1 117 . ALA . 50434 1 118 . LEU . 50434 1 119 . LEU . 50434 1 120 . PRO . 50434 1 121 . LEU . 50434 1 122 . ASP . 50434 1 123 . LYS . 50434 1 124 . PHE . 50434 1 125 . GLU . 50434 1 126 . ALA . 50434 1 127 . LEU . 50434 1 128 . PHE . 50434 1 129 . GLU . 50434 1 130 . GLU . 50434 1 131 . LYS . 50434 1 132 . LEU . 50434 1 133 . LYS . 50434 1 134 . THR . 50434 1 135 . SER . 50434 1 136 . PRO . 50434 1 137 . GLU . 50434 1 138 . PHE . 50434 1 139 . LYS . 50434 1 140 . ALA . 50434 1 141 . PHE . 50434 1 142 . PHE . 50434 1 143 . GLU . 50434 1 144 . LYS . 50434 1 145 . LEU . 50434 1 146 . ARG . 50434 1 147 . ASN . 50434 1 148 . LEU . 50434 1 149 . ASP . 50434 1 150 . TYR . 50434 1 151 . GLN . 50434 1 152 . LYS . 50434 1 153 . PHE . 50434 1 154 . VAL . 50434 1 155 . ASP . 50434 1 156 . PHE . 50434 1 157 . HIS . 50434 1 158 . ASN . 50434 1 159 . ASN . 50434 1 160 . SER . 50434 1 161 . LYS . 50434 1 162 . GLU . 50434 1 163 . VAL . 50434 1 164 . GLN . 50434 1 165 . GLY . 50434 1 166 . PHE . 50434 1 167 . LEU . 50434 1 168 . GLN . 50434 1 169 . LYS . 50434 1 170 . LEU . 50434 1 171 . ARG . 50434 1 172 . SER . 50434 1 173 . TYR . 50434 1 174 . GLY . 50434 1 175 . LEU . 50434 1 176 . ASP . 50434 1 177 . VAL . 50434 1 178 . ASP . 50434 1 179 . GLY . 50434 1 180 . PHE . 50434 1 181 . PHE . 50434 1 182 . ASN . 50434 1 183 . LEU . 50434 1 184 . VAL . 50434 1 185 . ALA . 50434 1 186 . GLY . 50434 1 187 . PHE . 50434 1 188 . PHE . 50434 1 189 . GLY . 50434 1 190 . TRP . 50434 1 191 . GLY . 50434 1 192 . LYS . 50434 1 193 . PHE . 50434 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50434 1 . SER 2 2 50434 1 . ALA 3 3 50434 1 . ALA 4 4 50434 1 . ALA 5 5 50434 1 . PRO 6 6 50434 1 . ASP 7 7 50434 1 . SER 8 8 50434 1 . ARG 9 9 50434 1 . ALA 10 10 50434 1 . LEU 11 11 50434 1 . LYS 12 12 50434 1 . ASP 13 13 50434 1 . ASP 14 14 50434 1 . PHE 15 15 50434 1 . GLN 16 16 50434 1 . GLU 17 17 50434 1 . PHE 18 18 50434 1 . VAL 19 19 50434 1 . ASP 20 20 50434 1 . LEU 21 21 50434 1 . VAL 22 22 50434 1 . PRO 23 23 50434 1 . VAL 24 24 50434 1 . ASP 25 25 50434 1 . LYS 26 26 50434 1 . LEU 27 27 50434 1 . VAL 28 28 50434 1 . ASN 29 29 50434 1 . VAL 30 30 50434 1 . ALA 31 31 50434 1 . LEU 32 32 50434 1 . GLN 33 33 50434 1 . TYR 34 34 50434 1 . LEU 35 35 50434 1 . VAL 36 36 50434 1 . SER 37 37 50434 1 . ASP 38 38 50434 1 . LYS 39 39 50434 1 . GLU 40 40 50434 1 . PHE 41 41 50434 1 . LYS 42 42 50434 1 . GLU 43 43 50434 1 . PHE 44 44 50434 1 . PHE 45 45 50434 1 . GLY 46 46 50434 1 . TYR 47 47 50434 1 . LEU 48 48 50434 1 . GLN 49 49 50434 1 . GLY 50 50 50434 1 . GLU 51 51 50434 1 . GLU 52 52 50434 1 . PHE 53 53 50434 1 . SER 54 54 50434 1 . ALA 55 55 50434 1 . VAL 56 56 50434 1 . TRP 57 57 50434 1 . ASP 58 58 50434 1 . GLN 59 59 50434 1 . PHE 60 60 50434 1 . PHE 61 61 50434 1 . ALA 62 62 50434 1 . LEU 63 63 50434 1 . ASN 64 64 50434 1 . GLU 65 65 50434 1 . VAL 66 66 50434 1 . LYS 67 67 50434 1 . ASP 68 68 50434 1 . VAL 69 69 50434 1 . LEU 70 70 50434 1 . ASN 71 71 50434 1 . TYR 72 72 50434 1 . LEU 73 73 50434 1 . GLU 74 74 50434 1 . ALA 75 75 50434 1 . ALA 76 76 50434 1 . ASP 77 77 50434 1 . LEU 78 78 50434 1 . ALA 79 79 50434 1 . VAL 80 80 50434 1 . TYR 81 81 50434 1 . ASP 82 82 50434 1 . ALA 83 83 50434 1 . LEU 84 84 50434 1 . ASN 85 85 50434 1 . THR 86 86 50434 1 . VAL 87 87 50434 1 . ALA 88 88 50434 1 . ASP 89 89 50434 1 . PHE 90 90 50434 1 . LEU 91 91 50434 1 . GLY 92 92 50434 1 . LEU 93 93 50434 1 . HIS 94 94 50434 1 . HIS 95 95 50434 1 . VAL 96 96 50434 1 . LYS 97 97 50434 1 . PRO 98 98 50434 1 . THR 99 99 50434 1 . VAL 100 100 50434 1 . HIS 101 101 50434 1 . THR 102 102 50434 1 . LEU 103 103 50434 1 . ARG 104 104 50434 1 . THR 105 105 50434 1 . GLY 106 106 50434 1 . GLY 107 107 50434 1 . LEU 108 108 50434 1 . THR 109 109 50434 1 . GLY 110 110 50434 1 . PHE 111 111 50434 1 . PHE 112 112 50434 1 . ASP 113 113 50434 1 . GLU 114 114 50434 1 . THR 115 115 50434 1 . VAL 116 116 50434 1 . ALA 117 117 50434 1 . LEU 118 118 50434 1 . LEU 119 119 50434 1 . PRO 120 120 50434 1 . LEU 121 121 50434 1 . ASP 122 122 50434 1 . LYS 123 123 50434 1 . PHE 124 124 50434 1 . GLU 125 125 50434 1 . ALA 126 126 50434 1 . LEU 127 127 50434 1 . PHE 128 128 50434 1 . GLU 129 129 50434 1 . GLU 130 130 50434 1 . LYS 131 131 50434 1 . LEU 132 132 50434 1 . LYS 133 133 50434 1 . THR 134 134 50434 1 . SER 135 135 50434 1 . PRO 136 136 50434 1 . GLU 137 137 50434 1 . PHE 138 138 50434 1 . LYS 139 139 50434 1 . ALA 140 140 50434 1 . PHE 141 141 50434 1 . PHE 142 142 50434 1 . GLU 143 143 50434 1 . LYS 144 144 50434 1 . LEU 145 145 50434 1 . ARG 146 146 50434 1 . ASN 147 147 50434 1 . LEU 148 148 50434 1 . ASP 149 149 50434 1 . TYR 150 150 50434 1 . GLN 151 151 50434 1 . LYS 152 152 50434 1 . PHE 153 153 50434 1 . VAL 154 154 50434 1 . ASP 155 155 50434 1 . PHE 156 156 50434 1 . HIS 157 157 50434 1 . ASN 158 158 50434 1 . ASN 159 159 50434 1 . SER 160 160 50434 1 . LYS 161 161 50434 1 . GLU 162 162 50434 1 . VAL 163 163 50434 1 . GLN 164 164 50434 1 . GLY 165 165 50434 1 . PHE 166 166 50434 1 . LEU 167 167 50434 1 . GLN 168 168 50434 1 . LYS 169 169 50434 1 . LEU 170 170 50434 1 . ARG 171 171 50434 1 . SER 172 172 50434 1 . TYR 173 173 50434 1 . GLY 174 174 50434 1 . LEU 175 175 50434 1 . ASP 176 176 50434 1 . VAL 177 177 50434 1 . ASP 178 178 50434 1 . GLY 179 179 50434 1 . PHE 180 180 50434 1 . PHE 181 181 50434 1 . ASN 182 182 50434 1 . LEU 183 183 50434 1 . VAL 184 184 50434 1 . ALA 185 185 50434 1 . GLY 186 186 50434 1 . PHE 187 187 50434 1 . PHE 188 188 50434 1 . GLY 189 189 50434 1 . TRP 190 190 50434 1 . GLY 191 191 50434 1 . LYS 192 192 50434 1 . PHE 193 193 50434 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 50434 _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 . 7159 organism . 'Aedes aegypti' 'yellow fever mosquito' . . Eukaryota Metazoa Aedes aegypti . . . . . . . . . . . . . 50434 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 50434 _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 . . pDest . . . 50434 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50434 _Sample.ID 1 _Sample.Name 'NMR sample for assignments' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'AEG12 with ligands' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 300 . . uM . . . . 50434 1 2 'palmitate, laureate, and stearate' 'natural abundance' . . . . . . 2400 . . uM . . . . 50434 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 50434 1 4 'sodium chloride' 'natural abundance' . . . . . . 123.3 . . mM . . . . 50434 1 5 'potassium chloride' 'natural abundance' . . . . . . 2.41 . . mM . . . . 50434 1 6 'potassium phosphate' 'natural abundance' . . . . . . 1.323 . . mM . . . . 50434 1 7 'sodium phosphate' 'natural abundance' . . . . . . 3.86 . . mM . . . . 50434 1 8 DSS 'natural abundance' . . . . . . 70 . . uM . . . . 50434 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50434 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 162.7 . mM 50434 1 pH 7.4 . pH 50434 1 pressure 1 . atm 50434 1 temperature 298 . K 50434 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50434 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50434 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50434 _Software.ID 2 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50434 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50434 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50434 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50434 _Software.ID 4 _Software.Type . _Software.Name MddNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50434 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50434 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Agilent 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 50434 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50434 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50434 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50434 1 4 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50434 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50434 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50434 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50434 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'AEG12 shifts' _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 0.251449530 . . . . . 50434 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50434 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 50434 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 50434 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AEG12 backbone assignments' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50434 1 2 '3D HNCO' . . . 50434 1 3 '3D HNCA' . . . 50434 1 4 '3D HNCACO' . . . 50434 1 5 '3D HN(CA)CO' . . . 50434 1 6 '3D HNCACB' . . . 50434 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 . . 50434 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 6 6 PRO C C 13 176.8676 0.0000 . 1 . . 41425 . . 6 PRO C . 50434 1 2 . 1 . 1 6 6 PRO CA C 13 63.0638 0.0000 . 1 . . 41426 . . 6 PRO CA . 50434 1 3 . 1 . 1 6 6 PRO CB C 13 31.1469 0.0000 . 1 . . 19634 . . 6 PRO CB . 50434 1 4 . 1 . 1 7 7 ASP H H 1 8.3443 0.0000 . 1 . . 41424 . . 7 ASP H . 50434 1 5 . 1 . 1 7 7 ASP C C 13 176.2051 0.0000 . 1 . . 41497 . . 7 ASP C . 50434 1 6 . 1 . 1 7 7 ASP CA C 13 54.0286 0.0000 . 1 . . 41498 . . 7 ASP CA . 50434 1 7 . 1 . 1 7 7 ASP CB C 13 40.4172 0.0000 . 1 . . 18146 . . 7 ASP CB . 50434 1 8 . 1 . 1 7 7 ASP N N 15 119.7343 0.0000 . 1 . . 41427 . . 7 ASP N . 50434 1 9 . 1 . 1 8 8 SER H H 1 8.0086 0.0000 . 1 . . 41496 . . 8 SER H . 50434 1 10 . 1 . 1 8 8 SER C C 13 174.2716 0.0000 . 1 . . 41653 . . 8 SER C . 50434 1 11 . 1 . 1 8 8 SER CA C 13 57.8878 0.0000 . 1 . . 41654 . . 8 SER CA . 50434 1 12 . 1 . 1 8 8 SER CB C 13 63.3746 0.0000 . 1 . . 18320 . . 8 SER CB . 50434 1 13 . 1 . 1 8 8 SER N N 15 116.1170 0.0000 . 1 . . 41499 . . 8 SER N . 50434 1 14 . 1 . 1 9 9 ARG H H 1 8.3746 0.0000 . 1 . . 41652 . . 9 ARG H . 50434 1 15 . 1 . 1 9 9 ARG C C 13 175.6273 0.0000 . 1 . . 41585 . . 9 ARG C . 50434 1 16 . 1 . 1 9 9 ARG CA C 13 55.2038 0.0000 . 1 . . 41586 . . 9 ARG CA . 50434 1 17 . 1 . 1 9 9 ARG CB C 13 30.0953 0.0000 . 1 . . 17903 . . 9 ARG CB . 50434 1 18 . 1 . 1 9 9 ARG N N 15 124.3335 0.0000 . 1 . . 41655 . . 9 ARG N . 50434 1 19 . 1 . 1 10 10 ALA H H 1 8.6991 0.0000 . 1 . . 41584 . . 10 ALA H . 50434 1 20 . 1 . 1 10 10 ALA C C 13 178.2103 0.0000 . 1 . . 41293 . . 10 ALA C . 50434 1 21 . 1 . 1 10 10 ALA CA C 13 51.9718 0.0000 . 1 . . 41294 . . 10 ALA CA . 50434 1 22 . 1 . 1 10 10 ALA CB C 13 19.5569 0.0000 . 1 . . 17840 . . 10 ALA CB . 50434 1 23 . 1 . 1 10 10 ALA N N 15 126.4724 0.0000 . 1 . . 41587 . . 10 ALA N . 50434 1 24 . 1 . 1 11 11 LEU H H 1 8.4353 0.0000 . 1 . . 41292 . . 11 LEU H . 50434 1 25 . 1 . 1 11 11 LEU C C 13 178.4892 0.0000 . 1 . . 41229 . . 11 LEU C . 50434 1 26 . 1 . 1 11 11 LEU CA C 13 57.3272 0.0000 . 1 . . 41230 . . 11 LEU CA . 50434 1 27 . 1 . 1 11 11 LEU CB C 13 41.1691 0.0000 . 1 . . 37852 . . 11 LEU CB . 50434 1 28 . 1 . 1 11 11 LEU N N 15 122.6526 0.0000 . 1 . . 41295 . . 11 LEU N . 50434 1 29 . 1 . 1 12 12 LYS H H 1 8.6700 0.0000 . 1 . . 41228 . . 12 LYS H . 50434 1 30 . 1 . 1 12 12 LYS C C 13 178.0463 0.0000 . 1 . . 41269 . . 12 LYS C . 50434 1 31 . 1 . 1 12 12 LYS CA C 13 59.7162 0.0000 . 1 . . 41270 . . 12 LYS CA . 50434 1 32 . 1 . 1 12 12 LYS CB C 13 31.4251 0.0000 . 1 . . 18308 . . 12 LYS CB . 50434 1 33 . 1 . 1 12 12 LYS N N 15 116.8027 0.0000 . 1 . . 41231 . . 12 LYS N . 50434 1 34 . 1 . 1 13 13 ASP H H 1 7.3948 0.0000 . 1 . . 41268 . . 13 ASP H . 50434 1 35 . 1 . 1 13 13 ASP CA C 13 56.8563 0.0000 . 1 . . 38910 . . 13 ASP CA . 50434 1 36 . 1 . 1 13 13 ASP CB C 13 39.6333 0.0000 . 1 . . 38914 . . 13 ASP CB . 50434 1 37 . 1 . 1 13 13 ASP N N 15 119.0764 0.0000 . 1 . . 41271 . . 13 ASP N . 50434 1 38 . 1 . 1 16 16 GLN C C 13 177.1041 0.0000 . 1 . . 41393 . . 16 GLN C . 50434 1 39 . 1 . 1 16 16 GLN CA C 13 58.0482 0.0000 . 1 . . 41394 . . 16 GLN CA . 50434 1 40 . 1 . 1 16 16 GLN CB C 13 27.4954 0.0000 . 1 . . . . . 16 GLN CB . 50434 1 41 . 1 . 1 17 17 GLU H H 1 7.4208 0.0000 . 1 . . 41392 . . 17 GLU H . 50434 1 42 . 1 . 1 17 17 GLU C C 13 179.2612 0.0000 . 1 . . 41113 . . 17 GLU C . 50434 1 43 . 1 . 1 17 17 GLU CA C 13 59.4984 0.0000 . 1 . . 41114 . . 17 GLU CA . 50434 1 44 . 1 . 1 17 17 GLU CB C 13 29.0388 0.0000 . 1 . . 38252 . . 17 GLU CB . 50434 1 45 . 1 . 1 17 17 GLU N N 15 117.4110 0.0000 . 1 . . 41395 . . 17 GLU N . 50434 1 46 . 1 . 1 18 18 PHE H H 1 7.4414 0.0000 . 1 . . 41112 . . 18 PHE H . 50434 1 47 . 1 . 1 18 18 PHE C C 13 178.2563 0.0000 . 1 . . 41205 . . 18 PHE C . 50434 1 48 . 1 . 1 18 18 PHE CA C 13 61.6270 0.0000 . 1 . . 41206 . . 18 PHE CA . 50434 1 49 . 1 . 1 18 18 PHE CB C 13 38.6800 0.0000 . 1 . . 32989 . . 18 PHE CB . 50434 1 50 . 1 . 1 18 18 PHE N N 15 115.6600 0.0000 . 1 . . 41115 . . 18 PHE N . 50434 1 51 . 1 . 1 19 19 VAL H H 1 7.8696 0.0000 . 1 . . 41204 . . 19 VAL H . 50434 1 52 . 1 . 1 19 19 VAL CA C 13 66.3519 0.0000 . 1 . . 27411 . . 19 VAL CA . 50434 1 53 . 1 . 1 19 19 VAL CB C 13 30.6808 0.0000 . 1 . . 27431 . . 19 VAL CB . 50434 1 54 . 1 . 1 19 19 VAL N N 15 120.0621 0.0000 . 1 . . 41207 . . 19 VAL N . 50434 1 55 . 1 . 1 26 26 LYS H H 1 7.4781 0.0000 . 1 . . . . . 26 LYS H . 50434 1 56 . 1 . 1 26 26 LYS CA C 13 57.9000 0.0000 . 1 . . . . . 26 LYS CA . 50434 1 57 . 1 . 1 26 26 LYS CB C 13 31.7000 0.0000 . 1 . . . . . 26 LYS CB . 50434 1 58 . 1 . 1 26 26 LYS N N 15 119.8047 0.0000 . 1 . . . . . 26 LYS N . 50434 1 59 . 1 . 1 27 27 LEU H H 1 7.8696 0.0000 . 1 . . 40272 . . 27 LEU H . 50434 1 60 . 1 . 1 27 27 LEU C C 13 178.7786 0.0000 . 1 . . 41181 . . 27 LEU C . 50434 1 61 . 1 . 1 27 27 LEU CA C 13 57.7200 0.0000 . 1 . . 41182 . . 27 LEU CA . 50434 1 62 . 1 . 1 27 27 LEU CB C 13 40.9427 0.0000 . 1 . . 18179 . . 27 LEU CB . 50434 1 63 . 1 . 1 27 27 LEU N N 15 120.9000 0.0000 . 1 . . 40275 . . 27 LEU N . 50434 1 64 . 1 . 1 28 28 VAL H H 1 8.4157 0.0000 . 1 . . 41180 . . 28 VAL H . 50434 1 65 . 1 . 1 28 28 VAL C C 13 177.1026 0.0000 . 1 . . 41365 . . 28 VAL C . 50434 1 66 . 1 . 1 28 28 VAL CA C 13 66.4249 0.0000 . 1 . . 41366 . . 28 VAL CA . 50434 1 67 . 1 . 1 28 28 VAL CB C 13 30.6571 0.0000 . 1 . . 28396 . . 28 VAL CB . 50434 1 68 . 1 . 1 28 28 VAL N N 15 119.1850 0.0000 . 1 . . 41183 . . 28 VAL N . 50434 1 69 . 1 . 1 29 29 ASN H H 1 7.5179 0.0000 . 1 . . 41364 . . 29 ASN H . 50434 1 70 . 1 . 1 29 29 ASN C C 13 176.5079 0.0000 . 1 . . . . . 29 ASN C . 50434 1 71 . 1 . 1 29 29 ASN CA C 13 57.0221 0.0000 . 1 . . 38520 . . 29 ASN CA . 50434 1 72 . 1 . 1 29 29 ASN CB C 13 38.1375 0.0000 . 1 . . 38522 . . 29 ASN CB . 50434 1 73 . 1 . 1 29 29 ASN N N 15 117.7728 0.0000 . 1 . . 41367 . . 29 ASN N . 50434 1 74 . 1 . 1 30 30 VAL H H 1 8.6946 0.0000 . 1 . . 39212 . . 30 VAL H . 50434 1 75 . 1 . 1 30 30 VAL CA C 13 57.2691 0.0000 . 1 . . 38502 . . 30 VAL CA . 50434 1 76 . 1 . 1 30 30 VAL CB C 13 30.6898 0.0000 . 1 . . 38468 . . 30 VAL CB . 50434 1 77 . 1 . 1 30 30 VAL N N 15 120.5801 0.0000 . 1 . . 39213 . . 30 VAL N . 50434 1 78 . 1 . 1 33 33 GLN C C 13 175.7878 0.0000 . 1 . . 41529 . . 33 GLN C . 50434 1 79 . 1 . 1 33 33 GLN CA C 13 60.2500 0.0000 . 1 . . 41530 . . 33 GLN CA . 50434 1 80 . 1 . 1 33 33 GLN CB C 13 27.5406 0.0000 . 1 . . 19358 . . 33 GLN CB . 50434 1 81 . 1 . 1 34 34 TYR H H 1 8.0683 0.0000 . 1 . . 41528 . . 34 TYR H . 50434 1 82 . 1 . 1 34 34 TYR C C 13 178.3496 0.0000 . 1 . . 41225 . . 34 TYR C . 50434 1 83 . 1 . 1 34 34 TYR CA C 13 58.5342 0.0000 . 1 . . 41226 . . 34 TYR CA . 50434 1 84 . 1 . 1 34 34 TYR CB C 13 39.6329 0.0000 . 1 . . 17843 . . 34 TYR CB . 50434 1 85 . 1 . 1 34 34 TYR N N 15 125.9205 0.0000 . 1 . . 41531 . . 34 TYR N . 50434 1 86 . 1 . 1 35 35 LEU H H 1 8.8120 0.0000 . 1 . . 41224 . . 35 LEU H . 50434 1 87 . 1 . 1 35 35 LEU C C 13 179.2900 0.0000 . 1 . . 41097 . . 35 LEU C . 50434 1 88 . 1 . 1 35 35 LEU CA C 13 56.1737 0.0000 . 1 . . 41098 . . 35 LEU CA . 50434 1 89 . 1 . 1 35 35 LEU CB C 13 38.0383 0.0000 . 1 . . 32046 . . 35 LEU CB . 50434 1 90 . 1 . 1 35 35 LEU N N 15 117.2822 0.0000 . 1 . . 41227 . . 35 LEU N . 50434 1 91 . 1 . 1 36 36 VAL H H 1 7.6003 0.0000 . 1 . . 41096 . . 36 VAL H . 50434 1 92 . 1 . 1 36 36 VAL CA C 13 58.1100 0.0000 . 1 . . 39422 . . 36 VAL CA . 50434 1 93 . 1 . 1 36 36 VAL CB C 13 31.5443 0.0000 . 1 . . 23130 . . 36 VAL CB . 50434 1 94 . 1 . 1 36 36 VAL N N 15 122.6400 0.0000 . 1 . . 41099 . . 36 VAL N . 50434 1 95 . 1 . 1 45 45 PHE C C 13 178.0435 0.0000 . 1 . . 41253 . . 45 PHE C . 50434 1 96 . 1 . 1 45 45 PHE CA C 13 60.8650 0.0000 . 1 . . 41254 . . 45 PHE CA . 50434 1 97 . 1 . 1 45 45 PHE CB C 13 37.7725 0.0000 . 1 . . 38969 . . 45 PHE CB . 50434 1 98 . 1 . 1 46 46 GLY H H 1 7.7225 0.0000 . 1 . . 41252 . . 46 GLY H . 50434 1 99 . 1 . 1 46 46 GLY C C 13 177.1594 0.0000 . 1 . . 41413 . . 46 GLY C . 50434 1 100 . 1 . 1 46 46 GLY CA C 13 46.6029 0.0000 . 1 . . 41414 . . 46 GLY CA . 50434 1 101 . 1 . 1 46 46 GLY N N 15 104.6387 0.0000 . 1 . . 41255 . . 46 GLY N . 50434 1 102 . 1 . 1 47 47 TYR H H 1 7.8844 0.0000 . 1 . . 41412 . . 47 TYR H . 50434 1 103 . 1 . 1 47 47 TYR C C 13 178.5187 0.0000 . 1 . . 41209 . . 47 TYR C . 50434 1 104 . 1 . 1 47 47 TYR CA C 13 61.2088 0.0000 . 1 . . 41210 . . 47 TYR CA . 50434 1 105 . 1 . 1 47 47 TYR CB C 13 36.4455 0.0000 . 1 . . 17834 . . 47 TYR CB . 50434 1 106 . 1 . 1 47 47 TYR N N 15 126.4712 0.0000 . 1 . . 41415 . . 47 TYR N . 50434 1 107 . 1 . 1 48 48 LEU H H 1 7.7045 0.0000 . 1 . . 41208 . . 48 LEU H . 50434 1 108 . 1 . 1 48 48 LEU C C 13 174.7466 0.0000 . 1 . . 41633 . . 48 LEU C . 50434 1 109 . 1 . 1 48 48 LEU CA C 13 56.0155 0.0000 . 1 . . 41634 . . 48 LEU CA . 50434 1 110 . 1 . 1 48 48 LEU CB C 13 40.2457 0.0000 . 1 . . 37830 . . 48 LEU CB . 50434 1 111 . 1 . 1 48 48 LEU N N 15 121.8515 0.0000 . 1 . . 41211 . . 48 LEU N . 50434 1 112 . 1 . 1 49 49 GLN H H 1 6.4385 0.0000 . 1 . . 41632 . . 49 GLN H . 50434 1 113 . 1 . 1 49 49 GLN C C 13 177.5809 0.0000 . 1 . . 41353 . . 49 GLN C . 50434 1 114 . 1 . 1 49 49 GLN CA C 13 54.6396 0.0000 . 1 . . 41354 . . 49 GLN CA . 50434 1 115 . 1 . 1 49 49 GLN CB C 13 29.9819 0.0000 . 1 . . 34657 . . 49 GLN CB . 50434 1 116 . 1 . 1 49 49 GLN N N 15 110.2610 0.0000 . 1 . . 41635 . . 49 GLN N . 50434 1 117 . 1 . 1 50 50 GLY H H 1 7.6469 0.0000 . 1 . . 41352 . . 50 GLY H . 50434 1 118 . 1 . 1 50 50 GLY C C 13 174.6926 0.0000 . 1 . . 41649 . . 50 GLY C . 50434 1 119 . 1 . 1 50 50 GLY CA C 13 43.9978 0.0000 . 1 . . 41650 . . 50 GLY CA . 50434 1 120 . 1 . 1 50 50 GLY N N 15 108.6037 0.0000 . 1 . . 41355 . . 50 GLY N . 50434 1 121 . 1 . 1 51 51 GLU H H 1 8.2572 0.0000 . 1 . . 41648 . . 51 GLU H . 50434 1 122 . 1 . 1 51 51 GLU C C 13 178.8670 0.0000 . 1 . . 41173 . . 51 GLU C . 50434 1 123 . 1 . 1 51 51 GLU CA C 13 58.8311 0.0000 . 1 . . 41174 . . 51 GLU CA . 50434 1 124 . 1 . 1 51 51 GLU CB C 13 29.2662 0.0000 . 1 . . 18341 . . 51 GLU CB . 50434 1 125 . 1 . 1 51 51 GLU N N 15 116.0919 0.0000 . 1 . . 41651 . . 51 GLU N . 50434 1 126 . 1 . 1 52 52 GLU H H 1 7.8723 0.0000 . 1 . . 41172 . . 52 GLU H . 50434 1 127 . 1 . 1 52 52 GLU C C 13 177.7663 0.0000 . 1 . . 41305 . . 52 GLU C . 50434 1 128 . 1 . 1 52 52 GLU CA C 13 60.0721 0.0000 . 1 . . 41306 . . 52 GLU CA . 50434 1 129 . 1 . 1 52 52 GLU CB C 13 29.8646 0.0000 . 1 . . 23779 . . 52 GLU CB . 50434 1 130 . 1 . 1 52 52 GLU N N 15 122.8250 0.0000 . 1 . . 41175 . . 52 GLU N . 50434 1 131 . 1 . 1 53 53 PHE H H 1 8.6998 0.0000 . 1 . . 41304 . . 53 PHE H . 50434 1 132 . 1 . 1 53 53 PHE CA C 13 61.9912 0.0000 . 1 . . 27660 . . 53 PHE CA . 50434 1 133 . 1 . 1 53 53 PHE CB C 13 37.0990 0.0000 . 1 . . 27623 . . 53 PHE CB . 50434 1 134 . 1 . 1 53 53 PHE N N 15 120.0970 0.0000 . 1 . . 41307 . . 53 PHE N . 50434 1 135 . 1 . 1 56 56 VAL C C 13 177.6320 0.0000 . 1 . . . . . 56 VAL C . 50434 1 136 . 1 . 1 56 56 VAL CA C 13 63.1168 0.0000 . 1 . . 31125 . . 56 VAL CA . 50434 1 137 . 1 . 1 56 56 VAL CB C 13 31.0843 0.0000 . 1 . . 31122 . . 56 VAL CB . 50434 1 138 . 1 . 1 57 57 TRP H H 1 8.5003 0.0000 . 1 . . 31121 . . 57 TRP H . 50434 1 139 . 1 . 1 57 57 TRP C C 13 178.0664 0.0000 . 1 . . . . . 57 TRP C . 50434 1 140 . 1 . 1 57 57 TRP CA C 13 58.5000 0.0000 . 1 . . . . . 57 TRP CA . 50434 1 141 . 1 . 1 57 57 TRP CB C 13 28.0580 0.0000 . 1 . . 31243 . . 57 TRP CB . 50434 1 142 . 1 . 1 57 57 TRP N N 15 118.2269 0.0000 . 1 . . 31123 . . 57 TRP N . 50434 1 143 . 1 . 1 58 58 ASP H H 1 8.1369 0.0000 . 1 . . 40384 . . 58 ASP H . 50434 1 144 . 1 . 1 58 58 ASP C C 13 180.3730 0.0000 . 1 . . 41017 . . 58 ASP C . 50434 1 145 . 1 . 1 58 58 ASP CA C 13 56.6279 0.0000 . 1 . . 41018 . . 58 ASP CA . 50434 1 146 . 1 . 1 58 58 ASP CB C 13 39.3230 0.0000 . 1 . . 32551 . . 58 ASP CB . 50434 1 147 . 1 . 1 58 58 ASP N N 15 116.7095 0.0000 . 1 . . 40387 . . 58 ASP N . 50434 1 148 . 1 . 1 59 59 GLN H H 1 8.6516 0.0000 . 1 . . 41016 . . 59 GLN H . 50434 1 149 . 1 . 1 59 59 GLN C C 13 179.0302 0.0000 . 1 . . 41125 . . 59 GLN C . 50434 1 150 . 1 . 1 59 59 GLN CA C 13 58.3770 0.0000 . 1 . . 41126 . . 59 GLN CA . 50434 1 151 . 1 . 1 59 59 GLN CB C 13 28.1322 0.0000 . 1 . . 29642 . . 59 GLN CB . 50434 1 152 . 1 . 1 59 59 GLN N N 15 118.8528 0.0000 . 1 . . 41019 . . 59 GLN N . 50434 1 153 . 1 . 1 60 60 PHE H H 1 9.0857 0.0000 . 1 . . 41124 . . 60 PHE H . 50434 1 154 . 1 . 1 60 60 PHE C C 13 176.4966 0.0000 . 1 . . 41461 . . 60 PHE C . 50434 1 155 . 1 . 1 60 60 PHE CA C 13 61.0346 0.0000 . 1 . . 41462 . . 60 PHE CA . 50434 1 156 . 1 . 1 60 60 PHE CB C 13 38.7792 0.0000 . 1 . . 18008 . . 60 PHE CB . 50434 1 157 . 1 . 1 60 60 PHE N N 15 122.0173 0.0000 . 1 . . 41127 . . 60 PHE N . 50434 1 158 . 1 . 1 61 61 PHE H H 1 7.6034 0.0000 . 1 . . 41460 . . 61 PHE H . 50434 1 159 . 1 . 1 61 61 PHE C C 13 174.6491 0.0000 . 1 . . 41625 . . 61 PHE C . 50434 1 160 . 1 . 1 61 61 PHE CA C 13 61.0845 0.0000 . 1 . . 41626 . . 61 PHE CA . 50434 1 161 . 1 . 1 61 61 PHE CB C 13 36.6587 0.0000 . 1 . . 18419 . . 61 PHE CB . 50434 1 162 . 1 . 1 61 61 PHE N N 15 111.8311 0.0000 . 1 . . 41463 . . 61 PHE N . 50434 1 163 . 1 . 1 62 62 ALA H H 1 6.9312 0.0000 . 1 . . 41624 . . 62 ALA H . 50434 1 164 . 1 . 1 62 62 ALA C C 13 178.4580 0.0000 . 1 . . 41241 . . 62 ALA C . 50434 1 165 . 1 . 1 62 62 ALA CA C 13 51.2665 0.0000 . 1 . . 41242 . . 62 ALA CA . 50434 1 166 . 1 . 1 62 62 ALA CB C 13 18.6306 0.0000 . 1 . . 18263 . . 62 ALA CB . 50434 1 167 . 1 . 1 62 62 ALA N N 15 118.0965 0.0000 . 1 . . 41627 . . 62 ALA N . 50434 1 168 . 1 . 1 63 63 LEU H H 1 7.0981 0.0000 . 1 . . 41240 . . 63 LEU H . 50434 1 169 . 1 . 1 63 63 LEU C C 13 176.0400 0.0000 . 1 . . 41545 . . 63 LEU C . 50434 1 170 . 1 . 1 63 63 LEU CA C 13 54.6371 0.0000 . 1 . . 41546 . . 63 LEU CA . 50434 1 171 . 1 . 1 63 63 LEU CB C 13 40.7378 0.0000 . 1 . . 38653 . . 63 LEU CB . 50434 1 172 . 1 . 1 63 63 LEU N N 15 121.3789 0.0000 . 1 . . 41243 . . 63 LEU N . 50434 1 173 . 1 . 1 64 64 ASN H H 1 8.0939 0.0000 . 1 . . 41544 . . 64 ASN H . 50434 1 174 . 1 . 1 64 64 ASN CA C 13 57.4649 0.0000 . 1 . . 18839 . . 64 ASN CA . 50434 1 175 . 1 . 1 64 64 ASN CB C 13 39.4957 0.0000 . 1 . . 18317 . . 64 ASN CB . 50434 1 176 . 1 . 1 64 64 ASN N N 15 116.2351 0.0000 . 1 . . 41547 . . 64 ASN N . 50434 1 177 . 1 . 1 65 65 GLU H H 1 8.9413 0.0000 . 1 . . 39976 . . 65 GLU H . 50434 1 178 . 1 . 1 65 65 GLU C C 13 178.1681 0.0000 . 1 . . 41261 . . 65 GLU C . 50434 1 179 . 1 . 1 65 65 GLU CA C 13 60.0173 0.0000 . 1 . . 41262 . . 65 GLU CA . 50434 1 180 . 1 . 1 65 65 GLU CB C 13 28.9914 0.0000 . 1 . . 38987 . . 65 GLU CB . 50434 1 181 . 1 . 1 65 65 GLU N N 15 118.2935 0.0000 . 1 . . 39979 . . 65 GLU N . 50434 1 182 . 1 . 1 66 66 VAL H H 1 6.2861 0.0000 . 1 . . 41260 . . 66 VAL H . 50434 1 183 . 1 . 1 66 66 VAL C C 13 177.8399 0.0000 . 1 . . 41301 . . 66 VAL C . 50434 1 184 . 1 . 1 66 66 VAL CA C 13 65.3616 0.0000 . 1 . . 41302 . . 66 VAL CA . 50434 1 185 . 1 . 1 66 66 VAL CB C 13 30.5889 0.0000 . 1 . . 32084 . . 66 VAL CB . 50434 1 186 . 1 . 1 66 66 VAL N N 15 117.2237 0.0000 . 1 . . 41263 . . 66 VAL N . 50434 1 187 . 1 . 1 67 67 LYS H H 1 7.8223 0.0000 . 1 . . 41300 . . 67 LYS H . 50434 1 188 . 1 . 1 67 67 LYS C C 13 178.0664 0.0000 . 1 . . 41273 . . 67 LYS C . 50434 1 189 . 1 . 1 67 67 LYS CA C 13 59.8005 0.0000 . 1 . . 41274 . . 67 LYS CA . 50434 1 190 . 1 . 1 67 67 LYS CB C 13 31.1042 0.0000 . 1 . . 18152 . . 67 LYS CB . 50434 1 191 . 1 . 1 67 67 LYS N N 15 119.4683 0.0000 . 1 . . 41303 . . 67 LYS N . 50434 1 192 . 1 . 1 68 68 ASP H H 1 8.0736 0.0000 . 1 . . 41272 . . 68 ASP H . 50434 1 193 . 1 . 1 68 68 ASP C C 13 179.1234 0.0000 . 1 . . 41145 . . 68 ASP C . 50434 1 194 . 1 . 1 68 68 ASP CA C 13 57.1355 0.0000 . 1 . . 41146 . . 68 ASP CA . 50434 1 195 . 1 . 1 68 68 ASP CB C 13 40.9661 0.0000 . 1 . . 32576 . . 68 ASP CB . 50434 1 196 . 1 . 1 68 68 ASP N N 15 116.9265 0.0000 . 1 . . 41275 . . 68 ASP N . 50434 1 197 . 1 . 1 69 69 VAL H H 1 7.1300 0.0000 . 1 . . 41144 . . 69 VAL H . 50434 1 198 . 1 . 1 69 69 VAL CA C 13 66.7547 0.0000 . 1 . . 25923 . . 69 VAL CA . 50434 1 199 . 1 . 1 69 69 VAL CB C 13 30.7742 0.0000 . 1 . . 25926 . . 69 VAL CB . 50434 1 200 . 1 . 1 69 69 VAL N N 15 119.8633 0.0000 . 1 . . 41147 . . 69 VAL N . 50434 1 201 . 1 . 1 70 70 LEU C C 13 179.0285 0.0000 . 1 . . 41133 . . 70 LEU C . 50434 1 202 . 1 . 1 70 70 LEU CA C 13 58.0194 0.0000 . 1 . . 41134 . . 70 LEU CA . 50434 1 203 . 1 . 1 70 70 LEU CB C 13 37.9949 0.0000 . 1 . . 19745 . . 70 LEU CB . 50434 1 204 . 1 . 1 71 71 ASN H H 1 9.1452 0.0000 . 1 . . 41132 . . 71 ASN H . 50434 1 205 . 1 . 1 71 71 ASN C C 13 178.5417 0.0000 . 1 . . 41237 . . 71 ASN C . 50434 1 206 . 1 . 1 71 71 ASN CA C 13 55.1598 0.0000 . 1 . . 41238 . . 71 ASN CA . 50434 1 207 . 1 . 1 71 71 ASN CB C 13 36.6570 0.0000 . 1 . . 18272 . . 71 ASN CB . 50434 1 208 . 1 . 1 71 71 ASN N N 15 117.8566 0.0000 . 1 . . 41135 . . 71 ASN N . 50434 1 209 . 1 . 1 72 72 TYR H H 1 7.9619 0.0000 . 1 . . 41236 . . 72 TYR H . 50434 1 210 . 1 . 1 72 72 TYR C C 13 178.3492 0.0000 . 1 . . 41213 . . 72 TYR C . 50434 1 211 . 1 . 1 72 72 TYR CA C 13 61.1831 0.0000 . 1 . . 41214 . . 72 TYR CA . 50434 1 212 . 1 . 1 72 72 TYR CB C 13 37.6008 0.0000 . 1 . . 38944 . . 72 TYR CB . 50434 1 213 . 1 . 1 72 72 TYR N N 15 125.2310 0.0000 . 1 . . 41239 . . 72 TYR N . 50434 1 214 . 1 . 1 73 73 LEU H H 1 8.0429 0.0000 . 1 . . 41212 . . 73 LEU H . 50434 1 215 . 1 . 1 73 73 LEU C C 13 179.1747 0.0000 . 1 . . 41141 . . 73 LEU C . 50434 1 216 . 1 . 1 73 73 LEU CA C 13 57.4351 0.0000 . 1 . . 41142 . . 73 LEU CA . 50434 1 217 . 1 . 1 73 73 LEU CB C 13 40.2891 0.0000 . 1 . . 27023 . . 73 LEU CB . 50434 1 218 . 1 . 1 73 73 LEU N N 15 120.2407 0.0000 . 1 . . 41215 . . 73 LEU N . 50434 1 219 . 1 . 1 74 74 GLU H H 1 8.6933 0.0000 . 1 . . 41140 . . 74 GLU H . 50434 1 220 . 1 . 1 74 74 GLU C C 13 181.3699 0.0000 . 1 . . 40993 . . 74 GLU C . 50434 1 221 . 1 . 1 74 74 GLU CA C 13 58.9346 0.0000 . 1 . . 40994 . . 74 GLU CA . 50434 1 222 . 1 . 1 74 74 GLU CB C 13 28.7839 0.0000 . 1 . . 18002 . . 74 GLU CB . 50434 1 223 . 1 . 1 74 74 GLU N N 15 122.3595 0.0000 . 1 . . 41143 . . 74 GLU N . 50434 1 224 . 1 . 1 75 75 ALA H H 1 7.9042 0.0000 . 1 . . 40992 . . 75 ALA H . 50434 1 225 . 1 . 1 75 75 ALA C C 13 177.6543 0.0000 . 1 . . 41357 . . 75 ALA C . 50434 1 226 . 1 . 1 75 75 ALA CA C 13 53.6038 0.0000 . 1 . . 41358 . . 75 ALA CA . 50434 1 227 . 1 . 1 75 75 ALA CB C 13 16.6565 0.0000 . 1 . . 17957 . . 75 ALA CB . 50434 1 228 . 1 . 1 75 75 ALA N N 15 123.1063 0.0000 . 1 . . 40995 . . 75 ALA N . 50434 1 229 . 1 . 1 76 76 ALA H H 1 7.3138 0.0000 . 1 . . 41356 . . 76 ALA H . 50434 1 230 . 1 . 1 76 76 ALA C C 13 175.3939 0.0000 . 1 . . 41609 . . 76 ALA C . 50434 1 231 . 1 . 1 76 76 ALA CA C 13 50.9456 0.0000 . 1 . . 41610 . . 76 ALA CA . 50434 1 232 . 1 . 1 76 76 ALA CB C 13 17.4820 0.0000 . 1 . . 17984 . . 76 ALA CB . 50434 1 233 . 1 . 1 76 76 ALA N N 15 122.5486 0.0000 . 1 . . 41359 . . 76 ALA N . 50434 1 234 . 1 . 1 77 77 ASP H H 1 7.8356 0.0000 . 1 . . 41608 . . 77 ASP H . 50434 1 235 . 1 . 1 77 77 ASP C C 13 174.5591 0.0000 . 1 . . 41637 . . 77 ASP C . 50434 1 236 . 1 . 1 77 77 ASP CA C 13 55.5589 0.0000 . 1 . . 41638 . . 77 ASP CA . 50434 1 237 . 1 . 1 77 77 ASP CB C 13 38.5744 0.0000 . 1 . . 34351 . . 77 ASP CB . 50434 1 238 . 1 . 1 77 77 ASP N N 15 113.3530 0.0000 . 1 . . 41611 . . 77 ASP N . 50434 1 239 . 1 . 1 78 78 LEU H H 1 7.6024 0.0000 . 1 . . 41636 . . 78 LEU H . 50434 1 240 . 1 . 1 78 78 LEU C C 13 176.4523 0.0000 . 1 . . 41469 . . 78 LEU C . 50434 1 241 . 1 . 1 78 78 LEU CA C 13 53.7970 0.0000 . 1 . . 41470 . . 78 LEU CA . 50434 1 242 . 1 . 1 78 78 LEU CB C 13 42.0668 0.0000 . 1 . . 29823 . . 78 LEU CB . 50434 1 243 . 1 . 1 78 78 LEU N N 15 119.0928 0.0000 . 1 . . 41639 . . 78 LEU N . 50434 1 244 . 1 . 1 79 79 ALA H H 1 9.1286 0.0000 . 1 . . 41468 . . 79 ALA H . 50434 1 245 . 1 . 1 79 79 ALA C C 13 181.4574 0.0000 . 1 . . . . . 79 ALA C . 50434 1 246 . 1 . 1 79 79 ALA CA C 13 50.9639 0.0000 . 1 . . 19211 . . 79 ALA CA . 50434 1 247 . 1 . 1 79 79 ALA CB C 13 15.6342 0.0000 . 1 . . 17801 . . 79 ALA CB . 50434 1 248 . 1 . 1 79 79 ALA N N 15 131.2375 0.0000 . 1 . . 41471 . . 79 ALA N . 50434 1 249 . 1 . 1 80 80 VAL H H 1 8.2326 0.0000 . 1 . . 39254 . . 80 VAL H . 50434 1 250 . 1 . 1 80 80 VAL CA C 13 64.1679 0.0000 . 1 . . 38941 . . 80 VAL CA . 50434 1 251 . 1 . 1 80 80 VAL CB C 13 30.9900 0.0000 . 1 . . 38939 . . 80 VAL CB . 50434 1 252 . 1 . 1 80 80 VAL N N 15 119.3050 0.0000 . 1 . . 39255 . . 80 VAL N . 50434 1 253 . 1 . 1 81 81 TYR C C 13 177.5495 0.0000 . 1 . . 41337 . . 81 TYR C . 50434 1 254 . 1 . 1 81 81 TYR CA C 13 56.1286 0.0000 . 1 . . 41338 . . 81 TYR CA . 50434 1 255 . 1 . 1 81 81 TYR CB C 13 40.1343 0.0000 . 1 . . 38682 . . 81 TYR CB . 50434 1 256 . 1 . 1 82 82 ASP H H 1 7.3097 0.0000 . 1 . . 41336 . . 82 ASP H . 50434 1 257 . 1 . 1 82 82 ASP C C 13 177.6349 0.0000 . 1 . . 41341 . . 82 ASP C . 50434 1 258 . 1 . 1 82 82 ASP CA C 13 54.6557 0.0000 . 1 . . 41342 . . 82 ASP CA . 50434 1 259 . 1 . 1 82 82 ASP CB C 13 42.8152 0.0000 . 1 . . 37820 . . 82 ASP CB . 50434 1 260 . 1 . 1 82 82 ASP N N 15 117.7425 0.0000 . 1 . . 41339 . . 82 ASP N . 50434 1 261 . 1 . 1 83 83 ALA H H 1 8.0228 0.0000 . 1 . . 41340 . . 83 ALA H . 50434 1 262 . 1 . 1 83 83 ALA C C 13 178.7054 0.0000 . 1 . . 41189 . . 83 ALA C . 50434 1 263 . 1 . 1 83 83 ALA CA C 13 55.4851 0.0000 . 1 . . 41190 . . 83 ALA CA . 50434 1 264 . 1 . 1 83 83 ALA CB C 13 17.0455 0.0000 . 1 . . 38163 . . 83 ALA CB . 50434 1 265 . 1 . 1 83 83 ALA N N 15 121.3851 0.0000 . 1 . . 41343 . . 83 ALA N . 50434 1 266 . 1 . 1 84 84 LEU H H 1 8.5541 0.0000 . 1 . . 41188 . . 84 LEU H . 50434 1 267 . 1 . 1 84 84 LEU C C 13 179.4226 0.0000 . 1 . . 41085 . . 84 LEU C . 50434 1 268 . 1 . 1 84 84 LEU CA C 13 57.4813 0.0000 . 1 . . 41086 . . 84 LEU CA . 50434 1 269 . 1 . 1 84 84 LEU CB C 13 40.7000 0.0000 . 1 . . . . . 84 LEU CB . 50434 1 270 . 1 . 1 84 84 LEU N N 15 116.9737 0.0000 . 1 . . 41191 . . 84 LEU N . 50434 1 271 . 1 . 1 85 85 ASN H H 1 8.5741 0.0000 . 1 . . 41084 . . 85 ASN H . 50434 1 272 . 1 . 1 85 85 ASN C C 13 177.5306 0.0000 . 1 . . 41345 . . 85 ASN C . 50434 1 273 . 1 . 1 85 85 ASN CA C 13 54.7844 0.0000 . 1 . . 41346 . . 85 ASN CA . 50434 1 274 . 1 . 1 85 85 ASN N N 15 119.7890 0.0000 . 1 . . 41087 . . 85 ASN N . 50434 1 275 . 1 . 1 86 86 THR H H 1 7.9647 0.0000 . 1 . . 41344 . . 86 THR H . 50434 1 276 . 1 . 1 86 86 THR C C 13 178.8670 0.0000 . 1 . . . . . 86 THR C . 50434 1 277 . 1 . 1 86 86 THR CA C 13 66.8494 0.0000 . 1 . . 27709 . . 86 THR CA . 50434 1 278 . 1 . 1 86 86 THR CB C 13 67.8000 0.0000 . 1 . . . . . 86 THR CB . 50434 1 279 . 1 . 1 86 86 THR N N 15 120.2682 0.0000 . 1 . . 41347 . . 86 THR N . 50434 1 280 . 1 . 1 87 87 VAL H H 1 7.8257 0.0000 . 1 . . 23790 . . 87 VAL H . 50434 1 281 . 1 . 1 87 87 VAL C C 13 177.2985 0.0000 . 1 . . 41361 . . 87 VAL C . 50434 1 282 . 1 . 1 87 87 VAL CA C 13 66.8520 0.0000 . 1 . . 41362 . . 87 VAL CA . 50434 1 283 . 1 . 1 87 87 VAL CB C 13 30.3448 0.0000 . 1 . . 35026 . . 87 VAL CB . 50434 1 284 . 1 . 1 87 87 VAL N N 15 123.0091 0.0000 . 1 . . 23792 . . 87 VAL N . 50434 1 285 . 1 . 1 88 88 ALA H H 1 8.5409 0.0000 . 1 . . 41360 . . 88 ALA H . 50434 1 286 . 1 . 1 88 88 ALA C C 13 179.6035 0.0000 . 1 . . 41041 . . 88 ALA C . 50434 1 287 . 1 . 1 88 88 ALA CA C 13 55.1279 0.0000 . 1 . . 41042 . . 88 ALA CA . 50434 1 288 . 1 . 1 88 88 ALA CB C 13 16.6672 0.0000 . 1 . . 18056 . . 88 ALA CB . 50434 1 289 . 1 . 1 88 88 ALA N N 15 121.3208 0.0000 . 1 . . 41363 . . 88 ALA N . 50434 1 290 . 1 . 1 89 89 ASP H H 1 8.3233 0.0000 . 1 . . 41040 . . 89 ASP H . 50434 1 291 . 1 . 1 89 89 ASP CA C 13 57.2000 0.0000 . 1 . . . . . 89 ASP CA . 50434 1 292 . 1 . 1 89 89 ASP CB C 13 39.8480 0.0000 . 1 . . 38862 . . 89 ASP CB . 50434 1 293 . 1 . 1 89 89 ASP N N 15 119.1399 0.0000 . 1 . . 41043 . . 89 ASP N . 50434 1 294 . 1 . 1 93 93 LEU C C 13 175.3534 0.0000 . 1 . . 41605 . . 93 LEU C . 50434 1 295 . 1 . 1 93 93 LEU CA C 13 54.8411 0.0000 . 1 . . 41606 . . 93 LEU CA . 50434 1 296 . 1 . 1 93 93 LEU CB C 13 44.9793 0.0000 . 1 . . 19331 . . 93 LEU CB . 50434 1 297 . 1 . 1 94 94 HIS H H 1 8.7401 0.0000 . 1 . . 41604 . . 94 HIS H . 50434 1 298 . 1 . 1 94 94 HIS C C 13 179.0160 0.0000 . 1 . . 41109 . . 94 HIS C . 50434 1 299 . 1 . 1 94 94 HIS CA C 13 59.7627 0.0000 . 1 . . 41110 . . 94 HIS CA . 50434 1 300 . 1 . 1 94 94 HIS CB C 13 31.7154 0.0000 . 1 . . 38549 . . 94 HIS CB . 50434 1 301 . 1 . 1 94 94 HIS N N 15 128.8205 0.0000 . 1 . . 41607 . . 94 HIS N . 50434 1 302 . 1 . 1 95 95 HIS H H 1 8.1122 0.0000 . 1 . . 41108 . . 95 HIS H . 50434 1 303 . 1 . 1 95 95 HIS C C 13 178.4150 0.0000 . 1 . . 41217 . . 95 HIS C . 50434 1 304 . 1 . 1 95 95 HIS CA C 13 59.6407 0.0000 . 1 . . 41218 . . 95 HIS CA . 50434 1 305 . 1 . 1 95 95 HIS CB C 13 29.4042 0.0000 . 1 . . 39577 . . 95 HIS CB . 50434 1 306 . 1 . 1 95 95 HIS N N 15 120.8966 0.0000 . 1 . . 41111 . . 95 HIS N . 50434 1 307 . 1 . 1 96 96 VAL H H 1 9.8231 0.0000 . 1 . . 41216 . . 96 VAL H . 50434 1 308 . 1 . 1 96 96 VAL C C 13 178.4150 0.0000 . 1 . . . . . 96 VAL C . 50434 1 309 . 1 . 1 96 96 VAL CA C 13 62.7000 0.0000 . 1 . . . . . 96 VAL CA . 50434 1 310 . 1 . 1 96 96 VAL CB C 13 26.9000 0.0000 . 1 . . . . . 96 VAL CB . 50434 1 311 . 1 . 1 96 96 VAL N N 15 123.0468 0.0000 . 1 . . 41219 . . 96 VAL N . 50434 1 312 . 1 . 1 103 103 LEU C C 13 177.8051 0.0000 . 1 . . 41313 . . 103 LEU C . 50434 1 313 . 1 . 1 103 103 LEU CA C 13 57.2049 0.0000 . 1 . . 41314 . . 103 LEU CA . 50434 1 314 . 1 . 1 103 103 LEU CB C 13 41.0522 0.0000 . 1 . . 19922 . . 103 LEU CB . 50434 1 315 . 1 . 1 104 104 ARG H H 1 7.6914 0.0000 . 1 . . 41312 . . 104 ARG H . 50434 1 316 . 1 . 1 104 104 ARG C C 13 178.3698 0.0000 . 1 . . 41201 . . 104 ARG C . 50434 1 317 . 1 . 1 104 104 ARG CA C 13 64.1866 0.0000 . 1 . . 41202 . . 104 ARG CA . 50434 1 318 . 1 . 1 104 104 ARG N N 15 113.0046 0.0000 . 1 . . 41315 . . 104 ARG N . 50434 1 319 . 1 . 1 105 105 THR H H 1 7.5065 0.0000 . 1 . . 41200 . . 105 THR H . 50434 1 320 . 1 . 1 105 105 THR CA C 13 59.4637 0.0000 . 1 . . 18815 . . 105 THR CA . 50434 1 321 . 1 . 1 105 105 THR CB C 13 65.9226 0.0000 . 1 . . 18416 . . 105 THR CB . 50434 1 322 . 1 . 1 105 105 THR N N 15 111.5324 0.0000 . 1 . . 41203 . . 105 THR N . 50434 1 323 . 1 . 1 106 106 GLY C C 13 175.9360 0.0000 . 1 . . 41569 . . 106 GLY C . 50434 1 324 . 1 . 1 106 106 GLY CA C 13 45.3532 0.0000 . 1 . . 41570 . . 106 GLY CA . 50434 1 325 . 1 . 1 107 107 GLY H H 1 9.1021 0.0000 . 1 . . 41568 . . 107 GLY H . 50434 1 326 . 1 . 1 107 107 GLY C C 13 173.7720 0.0000 . 1 . . 41673 . . 107 GLY C . 50434 1 327 . 1 . 1 107 107 GLY CA C 13 44.4983 0.0000 . 1 . . 41674 . . 107 GLY CA . 50434 1 328 . 1 . 1 107 107 GLY N N 15 113.8514 0.0000 . 1 . . 41571 . . 107 GLY N . 50434 1 329 . 1 . 1 108 108 LEU H H 1 9.4141 0.0000 . 1 . . 41672 . . 108 LEU H . 50434 1 330 . 1 . 1 108 108 LEU C C 13 179.9149 0.0000 . 1 . . 41033 . . 108 LEU C . 50434 1 331 . 1 . 1 108 108 LEU CA C 13 58.0653 0.0000 . 1 . . 41034 . . 108 LEU CA . 50434 1 332 . 1 . 1 108 108 LEU CB C 13 40.4963 0.0000 . 1 . . 37244 . . 108 LEU CB . 50434 1 333 . 1 . 1 108 108 LEU N N 15 122.2194 0.0000 . 1 . . 41675 . . 108 LEU N . 50434 1 334 . 1 . 1 109 109 THR H H 1 8.9550 0.0000 . 1 . . 41032 . . 109 THR H . 50434 1 335 . 1 . 1 109 109 THR C C 13 177.2325 0.0000 . 1 . . 41369 . . 109 THR C . 50434 1 336 . 1 . 1 109 109 THR CA C 13 64.9585 0.0000 . 1 . . 41370 . . 109 THR CA . 50434 1 337 . 1 . 1 109 109 THR CB C 13 67.4518 0.0000 . 1 . . 18431 . . 109 THR CB . 50434 1 338 . 1 . 1 109 109 THR N N 15 110.2632 0.0000 . 1 . . 41035 . . 109 THR N . 50434 1 339 . 1 . 1 110 110 GLY H H 1 7.2756 0.0000 . 1 . . 41368 . . 110 GLY H . 50434 1 340 . 1 . 1 110 110 GLY C C 13 176.3828 0.0000 . 1 . . 41509 . . 110 GLY C . 50434 1 341 . 1 . 1 110 110 GLY CA C 13 46.7955 0.0000 . 1 . . 41510 . . 110 GLY CA . 50434 1 342 . 1 . 1 110 110 GLY N N 15 112.3051 0.0000 . 1 . . 41371 . . 110 GLY N . 50434 1 343 . 1 . 1 111 111 PHE H H 1 8.4709 0.0000 . 1 . . 41508 . . 111 PHE H . 50434 1 344 . 1 . 1 111 111 PHE C C 13 177.1375 0.0000 . 1 . . 41385 . . 111 PHE C . 50434 1 345 . 1 . 1 111 111 PHE CA C 13 59.2596 0.0000 . 1 . . 41386 . . 111 PHE CA . 50434 1 346 . 1 . 1 111 111 PHE CB C 13 38.9850 0.0000 . 1 . . 17849 . . 111 PHE CB . 50434 1 347 . 1 . 1 111 111 PHE N N 15 126.1100 0.0000 . 1 . . 41511 . . 111 PHE N . 50434 1 348 . 1 . 1 112 112 PHE H H 1 8.3270 0.0000 . 1 . . 41384 . . 112 PHE H . 50434 1 349 . 1 . 1 112 112 PHE C C 13 179.6544 0.0000 . 1 . . 41053 . . 112 PHE C . 50434 1 350 . 1 . 1 112 112 PHE CA C 13 57.8666 0.0000 . 1 . . 41054 . . 112 PHE CA . 50434 1 351 . 1 . 1 112 112 PHE CB C 13 39.4430 0.0000 . 1 . . 18269 . . 112 PHE CB . 50434 1 352 . 1 . 1 112 112 PHE N N 15 117.8887 0.0000 . 1 . . 41387 . . 112 PHE N . 50434 1 353 . 1 . 1 113 113 ASP H H 1 8.1346 0.0000 . 1 . . 41052 . . 113 ASP H . 50434 1 354 . 1 . 1 113 113 ASP CA C 13 57.8151 0.0000 . 1 . . 38671 . . 113 ASP CA . 50434 1 355 . 1 . 1 113 113 ASP CB C 13 40.7571 0.0000 . 1 . . 38673 . . 113 ASP CB . 50434 1 356 . 1 . 1 113 113 ASP N N 15 118.5499 0.0000 . 1 . . 41055 . . 113 ASP N . 50434 1 357 . 1 . 1 114 114 GLU C C 13 178.9300 0.0000 . 1 . . 41117 . . 114 GLU C . 50434 1 358 . 1 . 1 114 114 GLU CA C 13 59.1725 0.0000 . 1 . . 41118 . . 114 GLU CA . 50434 1 359 . 1 . 1 114 114 GLU CB C 13 29.3947 0.0000 . 1 . . 33933 . . 114 GLU CB . 50434 1 360 . 1 . 1 115 115 THR H H 1 7.6106 0.0000 . 1 . . 41116 . . 115 THR H . 50434 1 361 . 1 . 1 115 115 THR C C 13 176.9305 0.0000 . 1 . . 41417 . . 115 THR C . 50434 1 362 . 1 . 1 115 115 THR CA C 13 65.8743 0.0000 . 1 . . 41418 . . 115 THR CA . 50434 1 363 . 1 . 1 115 115 THR CB C 13 67.4571 0.0000 . 1 . . 33927 . . 115 THR CB . 50434 1 364 . 1 . 1 115 115 THR N N 15 113.2385 0.0000 . 1 . . 41119 . . 115 THR N . 50434 1 365 . 1 . 1 116 116 VAL H H 1 8.2016 0.0000 . 1 . . 41416 . . 116 VAL H . 50434 1 366 . 1 . 1 116 116 VAL C C 13 178.7594 0.0000 . 1 . . 41161 . . 116 VAL C . 50434 1 367 . 1 . 1 116 116 VAL CA C 13 66.3057 0.0000 . 1 . . 41162 . . 116 VAL CA . 50434 1 368 . 1 . 1 116 116 VAL CB C 13 30.1361 0.0000 . 1 . . 18047 . . 116 VAL CB . 50434 1 369 . 1 . 1 116 116 VAL N N 15 121.2483 0.0000 . 1 . . 41419 . . 116 VAL N . 50434 1 370 . 1 . 1 117 117 ALA H H 1 7.2165 0.0000 . 1 . . 41160 . . 117 ALA H . 50434 1 371 . 1 . 1 117 117 ALA C C 13 179.1276 0.0000 . 1 . . 41157 . . 117 ALA C . 50434 1 372 . 1 . 1 117 117 ALA CA C 13 53.5842 0.0000 . 1 . . 41158 . . 117 ALA CA . 50434 1 373 . 1 . 1 117 117 ALA CB C 13 17.5082 0.0000 . 1 . . 18167 . . 117 ALA CB . 50434 1 374 . 1 . 1 117 117 ALA N N 15 119.6741 0.0000 . 1 . . 41163 . . 117 ALA N . 50434 1 375 . 1 . 1 118 118 LEU H H 1 7.1963 0.0000 . 1 . . 41156 . . 118 LEU H . 50434 1 376 . 1 . 1 118 118 LEU C C 13 177.4556 0.0000 . 1 . . 41349 . . 118 LEU C . 50434 1 377 . 1 . 1 118 118 LEU CA C 13 54.6624 0.0000 . 1 . . 41350 . . 118 LEU CA . 50434 1 378 . 1 . 1 118 118 LEU CB C 13 42.0565 0.0000 . 1 . . 18275 . . 118 LEU CB . 50434 1 379 . 1 . 1 118 118 LEU N N 15 117.0524 0.0000 . 1 . . 41159 . . 118 LEU N . 50434 1 380 . 1 . 1 119 119 LEU H H 1 7.6137 0.0000 . 1 . . 41348 . . 119 LEU H . 50434 1 381 . 1 . 1 119 119 LEU CA C 13 51.3975 0.0000 . 1 . . 19202 . . 119 LEU CA . 50434 1 382 . 1 . 1 119 119 LEU CB C 13 41.1001 0.0000 . 1 . . 18107 . . 119 LEU CB . 50434 1 383 . 1 . 1 119 119 LEU N N 15 119.8176 0.0000 . 1 . . 41351 . . 119 LEU N . 50434 1 384 . 1 . 1 125 125 GLU C C 13 178.1010 0.0000 . 1 . . 41265 . . 125 GLU C . 50434 1 385 . 1 . 1 125 125 GLU CA C 13 59.8165 0.0000 . 1 . . 41266 . . 125 GLU CA . 50434 1 386 . 1 . 1 125 125 GLU CB C 13 28.6664 0.0000 . 1 . . 38701 . . 125 GLU CB . 50434 1 387 . 1 . 1 126 126 ALA H H 1 7.4999 0.0000 . 1 . . 41264 . . 126 ALA H . 50434 1 388 . 1 . 1 126 126 ALA C C 13 177.6349 0.0000 . 1 . . . . . 126 ALA C . 50434 1 389 . 1 . 1 126 126 ALA CA C 13 54.6557 0.0000 . 1 . . 38933 . . 126 ALA CA . 50434 1 390 . 1 . 1 126 126 ALA CB C 13 17.4963 0.0000 . 1 . . 38935 . . 126 ALA CB . 50434 1 391 . 1 . 1 126 126 ALA N N 15 120.0605 0.0000 . 1 . . 41267 . . 126 ALA N . 50434 1 392 . 1 . 1 127 127 LEU H H 1 8.1122 0.0000 . 1 . . 40360 . . 127 LEU H . 50434 1 393 . 1 . 1 127 127 LEU C C 13 177.8863 0.0000 . 1 . . 41321 . . 127 LEU C . 50434 1 394 . 1 . 1 127 127 LEU CA C 13 56.7000 0.0000 . 1 . . 41322 . . 127 LEU CA . 50434 1 395 . 1 . 1 127 127 LEU CB C 13 40.7036 0.0000 . 1 . . 37568 . . 127 LEU CB . 50434 1 396 . 1 . 1 127 127 LEU N N 15 120.8966 0.0000 . 1 . . 40363 . . 127 LEU N . 50434 1 397 . 1 . 1 128 128 PHE H H 1 8.7419 0.0000 . 1 . . 41320 . . 128 PHE H . 50434 1 398 . 1 . 1 128 128 PHE C C 13 176.0424 0.0000 . 1 . . 41525 . . 128 PHE C . 50434 1 399 . 1 . 1 128 128 PHE CA C 13 62.0953 0.0000 . 1 . . 41526 . . 128 PHE CA . 50434 1 400 . 1 . 1 128 128 PHE CB C 13 39.3239 0.0000 . 1 . . 18065 . . 128 PHE CB . 50434 1 401 . 1 . 1 128 128 PHE N N 15 120.8579 0.0000 . 1 . . 41323 . . 128 PHE N . 50434 1 402 . 1 . 1 129 129 GLU H H 1 7.8828 0.0000 . 1 . . 41524 . . 129 GLU H . 50434 1 403 . 1 . 1 129 129 GLU C C 13 179.4011 0.0000 . 1 . . 41073 . . 129 GLU C . 50434 1 404 . 1 . 1 129 129 GLU CA C 13 58.8914 0.0000 . 1 . . 41074 . . 129 GLU CA . 50434 1 405 . 1 . 1 129 129 GLU CB C 13 28.5965 0.0000 . 1 . . 18311 . . 129 GLU CB . 50434 1 406 . 1 . 1 129 129 GLU N N 15 116.7075 0.0000 . 1 . . 41527 . . 129 GLU N . 50434 1 407 . 1 . 1 130 130 GLU H H 1 7.7367 0.0000 . 1 . . 41072 . . 130 GLU H . 50434 1 408 . 1 . 1 130 130 GLU C C 13 180.1537 0.0000 . 1 . . 41025 . . 130 GLU C . 50434 1 409 . 1 . 1 130 130 GLU CA C 13 58.7169 0.0000 . 1 . . 41026 . . 130 GLU CA . 50434 1 410 . 1 . 1 130 130 GLU CB C 13 28.9233 0.0000 . 1 . . 28041 . . 130 GLU CB . 50434 1 411 . 1 . 1 130 130 GLU N N 15 119.3444 0.0000 . 1 . . 41075 . . 130 GLU N . 50434 1 412 . 1 . 1 131 131 LYS H H 1 8.7162 0.0000 . 1 . . 41024 . . 131 LYS H . 50434 1 413 . 1 . 1 131 131 LYS C C 13 178.9147 0.0000 . 1 . . 41149 . . 131 LYS C . 50434 1 414 . 1 . 1 131 131 LYS CA C 13 57.2181 0.0000 . 1 . . 41150 . . 131 LYS CA . 50434 1 415 . 1 . 1 131 131 LYS CB C 13 30.7419 0.0000 . 1 . . 18041 . . 131 LYS CB . 50434 1 416 . 1 . 1 131 131 LYS N N 15 121.2485 0.0000 . 1 . . 41027 . . 131 LYS N . 50434 1 417 . 1 . 1 132 132 LEU H H 1 7.8565 0.0000 . 1 . . 41148 . . 132 LEU H . 50434 1 418 . 1 . 1 132 132 LEU C C 13 179.3498 0.0000 . 1 . . 41089 . . 132 LEU C . 50434 1 419 . 1 . 1 132 132 LEU CA C 13 57.4953 0.0000 . 1 . . 41090 . . 132 LEU CA . 50434 1 420 . 1 . 1 132 132 LEU CB C 13 40.7481 0.0000 . 1 . . 18227 . . 132 LEU CB . 50434 1 421 . 1 . 1 132 132 LEU N N 15 118.0248 0.0000 . 1 . . 41151 . . 132 LEU N . 50434 1 422 . 1 . 1 133 133 LYS H H 1 7.2140 0.0000 . 1 . . 41088 . . 133 LYS H . 50434 1 423 . 1 . 1 133 133 LYS C C 13 179.0688 0.0000 . 1 . . 41137 . . 133 LYS C . 50434 1 424 . 1 . 1 133 133 LYS CA C 13 57.8685 0.0000 . 1 . . 41138 . . 133 LYS CA . 50434 1 425 . 1 . 1 133 133 LYS CB C 13 32.9062 0.0000 . 1 . . 18362 . . 133 LYS CB . 50434 1 426 . 1 . 1 133 133 LYS N N 15 115.3879 0.0000 . 1 . . 41091 . . 133 LYS N . 50434 1 427 . 1 . 1 134 134 THR H H 1 7.9892 0.0000 . 1 . . 41136 . . 134 THR H . 50434 1 428 . 1 . 1 134 134 THR C C 13 174.9501 0.0000 . 1 . . 41617 . . 134 THR C . 50434 1 429 . 1 . 1 134 134 THR CA C 13 62.3381 0.0000 . 1 . . 41618 . . 134 THR CA . 50434 1 430 . 1 . 1 134 134 THR CB C 13 71.0589 0.0000 . 1 . . 18455 . . 134 THR CB . 50434 1 431 . 1 . 1 134 134 THR N N 15 108.0650 0.0000 . 1 . . 41139 . . 134 THR N . 50434 1 432 . 1 . 1 135 135 SER H H 1 8.4671 0.0000 . 1 . . 41616 . . 135 SER H . 50434 1 433 . 1 . 1 135 135 SER CA C 13 52.8231 0.0000 . 1 . . 19172 . . 135 SER CA . 50434 1 434 . 1 . 1 135 135 SER CB C 13 61.6047 0.0000 . 1 . . 18173 . . 135 SER CB . 50434 1 435 . 1 . 1 135 135 SER N N 15 119.0096 0.0000 . 1 . . 41619 . . 135 SER N . 50434 1 436 . 1 . 1 136 136 PRO C C 13 180.4631 0.0000 . 1 . . 41013 . . 136 PRO C . 50434 1 437 . 1 . 1 136 136 PRO CA C 13 64.8835 0.0000 . 1 . . 41014 . . 136 PRO CA . 50434 1 438 . 1 . 1 136 136 PRO CB C 13 31.5347 0.0000 . 1 . . 18239 . . 136 PRO CB . 50434 1 439 . 1 . 1 137 137 GLU H H 1 9.3373 0.0000 . 1 . . 41012 . . 137 GLU H . 50434 1 440 . 1 . 1 137 137 GLU C C 13 179.5439 0.0000 . 1 . . 41045 . . 137 GLU C . 50434 1 441 . 1 . 1 137 137 GLU CA C 13 59.1778 0.0000 . 1 . . 41046 . . 137 GLU CA . 50434 1 442 . 1 . 1 137 137 GLU CB C 13 28.2115 0.0000 . 1 . . 18260 . . 137 GLU CB . 50434 1 443 . 1 . 1 137 137 GLU N N 15 117.9723 0.0000 . 1 . . 41015 . . 137 GLU N . 50434 1 444 . 1 . 1 138 138 PHE H H 1 8.1860 0.0000 . 1 . . 41044 . . 138 PHE H . 50434 1 445 . 1 . 1 138 138 PHE C C 13 177.5910 0.0000 . 1 . . 39866 . . 138 PHE C . 50434 1 446 . 1 . 1 138 138 PHE CA C 13 62.0171 0.0000 . 1 . . 39865 . . 138 PHE CA . 50434 1 447 . 1 . 1 138 138 PHE CB C 13 37.8533 0.0000 . 1 . . 38545 . . 138 PHE CB . 50434 1 448 . 1 . 1 138 138 PHE N N 15 125.6811 0.0000 . 1 . . 41047 . . 138 PHE N . 50434 1 449 . 1 . 1 139 139 LYS H H 1 8.4312 0.0000 . 1 . . 40032 . . 139 LYS H . 50434 1 450 . 1 . 1 139 139 LYS C C 13 178.1486 0.0000 . 1 . . 41277 . . 139 LYS C . 50434 1 451 . 1 . 1 139 139 LYS CA C 13 59.5628 0.0000 . 1 . . 41278 . . 139 LYS CA . 50434 1 452 . 1 . 1 139 139 LYS CB C 13 31.6443 0.0000 . 1 . . 38559 . . 139 LYS CB . 50434 1 453 . 1 . 1 139 139 LYS N N 15 120.3772 0.0000 . 1 . . 40035 . . 139 LYS N . 50434 1 454 . 1 . 1 140 140 ALA H H 1 8.2546 0.0000 . 1 . . 41276 . . 140 ALA H . 50434 1 455 . 1 . 1 140 140 ALA C C 13 180.6691 0.0000 . 1 . . 41005 . . 140 ALA C . 50434 1 456 . 1 . 1 140 140 ALA CA C 13 54.6055 0.0000 . 1 . . 41006 . . 140 ALA CA . 50434 1 457 . 1 . 1 140 140 ALA CB C 13 17.2301 0.0000 . 1 . . 18143 . . 140 ALA CB . 50434 1 458 . 1 . 1 140 140 ALA N N 15 119.8865 0.0000 . 1 . . 41279 . . 140 ALA N . 50434 1 459 . 1 . 1 141 141 PHE H H 1 7.8976 0.0000 . 1 . . 41004 . . 141 PHE H . 50434 1 460 . 1 . 1 141 141 PHE CA C 13 59.7432 0.0000 . 1 . . 18749 . . 141 PHE CA . 50434 1 461 . 1 . 1 141 141 PHE CB C 13 38.0314 0.0000 . 1 . . 18068 . . 141 PHE CB . 50434 1 462 . 1 . 1 141 141 PHE N N 15 120.7428 0.0000 . 1 . . 41007 . . 141 PHE N . 50434 1 463 . 1 . 1 142 142 PHE C C 13 177.6320 0.0000 . 1 . . 41325 . . 142 PHE C . 50434 1 464 . 1 . 1 142 142 PHE CA C 13 61.2587 0.0000 . 1 . . 41326 . . 142 PHE CA . 50434 1 465 . 1 . 1 142 142 PHE CB C 13 37.9942 0.0000 . 1 . . 31119 . . 142 PHE CB . 50434 1 466 . 1 . 1 143 143 GLU H H 1 8.5538 0.0000 . 1 . . 41324 . . 143 GLU H . 50434 1 467 . 1 . 1 143 143 GLU C C 13 178.4160 0.0000 . 1 . . 41221 . . 143 GLU C . 50434 1 468 . 1 . 1 143 143 GLU CA C 13 58.7296 0.0000 . 1 . . 41222 . . 143 GLU CA . 50434 1 469 . 1 . 1 143 143 GLU CB C 13 28.4148 0.0000 . 1 . . 31113 . . 143 GLU CB . 50434 1 470 . 1 . 1 143 143 GLU N N 15 118.2487 0.0000 . 1 . . 41327 . . 143 GLU N . 50434 1 471 . 1 . 1 144 144 LYS H H 1 7.5822 0.0000 . 1 . . 41220 . . 144 LYS H . 50434 1 472 . 1 . 1 144 144 LYS C C 13 179.1588 0.0000 . 1 . . 41129 . . 144 LYS C . 50434 1 473 . 1 . 1 144 144 LYS CA C 13 58.2422 0.0000 . 1 . . 41130 . . 144 LYS CA . 50434 1 474 . 1 . 1 144 144 LYS CB C 13 30.0857 0.0000 . 1 . . 25163 . . 144 LYS CB . 50434 1 475 . 1 . 1 144 144 LYS N N 15 121.3710 0.0000 . 1 . . 41223 . . 144 LYS N . 50434 1 476 . 1 . 1 145 145 LEU H H 1 7.1623 0.0000 . 1 . . 41128 . . 145 LEU H . 50434 1 477 . 1 . 1 145 145 LEU C C 13 179.6035 0.0000 . 1 . . 40390 . . 145 LEU C . 50434 1 478 . 1 . 1 145 145 LEU CA C 13 56.5735 0.0000 . 1 . . 40389 . . 145 LEU CA . 50434 1 479 . 1 . 1 145 145 LEU CB C 13 40.1270 0.0000 . 1 . . 18230 . . 145 LEU CB . 50434 1 480 . 1 . 1 145 145 LEU N N 15 118.0228 0.0000 . 1 . . 41131 . . 145 LEU N . 50434 1 481 . 1 . 1 146 146 ARG H H 1 8.3215 0.0000 . 1 . . 39284 . . 146 ARG H . 50434 1 482 . 1 . 1 146 146 ARG C C 13 178.1053 0.0000 . 1 . . 41281 . . 146 ARG C . 50434 1 483 . 1 . 1 146 146 ARG CA C 13 59.5603 0.0000 . 1 . . 41282 . . 146 ARG CA . 50434 1 484 . 1 . 1 146 146 ARG CB C 13 29.3749 0.0000 . 1 . . 38446 . . 146 ARG CB . 50434 1 485 . 1 . 1 146 146 ARG N N 15 118.3595 0.0000 . 1 . . 39285 . . 146 ARG N . 50434 1 486 . 1 . 1 147 147 ASN H H 1 7.4874 0.0000 . 1 . . 41280 . . 147 ASN H . 50434 1 487 . 1 . 1 147 147 ASN C C 13 174.4155 0.0000 . 1 . . 41657 . . 147 ASN C . 50434 1 488 . 1 . 1 147 147 ASN CA C 13 53.0905 0.0000 . 1 . . 41658 . . 147 ASN CA . 50434 1 489 . 1 . 1 147 147 ASN CB C 13 38.9059 0.0000 . 1 . . 33375 . . 147 ASN CB . 50434 1 490 . 1 . 1 147 147 ASN N N 15 114.5540 0.0000 . 1 . . 41283 . . 147 ASN N . 50434 1 491 . 1 . 1 148 148 LEU H H 1 7.3227 0.0000 . 1 . . 41656 . . 148 LEU H . 50434 1 492 . 1 . 1 148 148 LEU C C 13 176.7933 0.0000 . 1 . . 41449 . . 148 LEU C . 50434 1 493 . 1 . 1 148 148 LEU CA C 13 55.4824 0.0000 . 1 . . 41450 . . 148 LEU CA . 50434 1 494 . 1 . 1 148 148 LEU CB C 13 42.5577 0.0000 . 1 . . 19481 . . 148 LEU CB . 50434 1 495 . 1 . 1 148 148 LEU N N 15 123.4703 0.0000 . 1 . . 41659 . . 148 LEU N . 50434 1 496 . 1 . 1 149 149 ASP H H 1 8.4860 0.0000 . 1 . . 41448 . . 149 ASP H . 50434 1 497 . 1 . 1 149 149 ASP C C 13 176.0498 0.0000 . 1 . . 41561 . . 149 ASP C . 50434 1 498 . 1 . 1 149 149 ASP CA C 13 51.8235 0.0000 . 1 . . 41562 . . 149 ASP CA . 50434 1 499 . 1 . 1 149 149 ASP CB C 13 37.8932 0.0000 . 1 . . 17966 . . 149 ASP CB . 50434 1 500 . 1 . 1 149 149 ASP N N 15 122.6748 0.0000 . 1 . . 41451 . . 149 ASP N . 50434 1 501 . 1 . 1 150 150 TYR H H 1 7.3815 0.0000 . 1 . . 41560 . . 150 TYR H . 50434 1 502 . 1 . 1 150 150 TYR C C 13 177.1907 0.0000 . 1 . . 41389 . . 150 TYR C . 50434 1 503 . 1 . 1 150 150 TYR CA C 13 58.7976 0.0000 . 1 . . 41390 . . 150 TYR CA . 50434 1 504 . 1 . 1 150 150 TYR CB C 13 35.9859 0.0000 . 1 . . 17867 . . 150 TYR CB . 50434 1 505 . 1 . 1 150 150 TYR N N 15 125.1223 0.0000 . 1 . . 41563 . . 150 TYR N . 50434 1 506 . 1 . 1 151 151 GLN H H 1 7.5017 0.0000 . 1 . . 41388 . . 151 GLN H . 50434 1 507 . 1 . 1 151 151 GLN C C 13 177.9155 0.0000 . 1 . . 41317 . . 151 GLN C . 50434 1 508 . 1 . 1 151 151 GLN CA C 13 57.2082 0.0000 . 1 . . 41318 . . 151 GLN CA . 50434 1 509 . 1 . 1 151 151 GLN CB C 13 26.6439 0.0000 . 1 . . 17945 . . 151 GLN CB . 50434 1 510 . 1 . 1 151 151 GLN N N 15 123.2944 0.0000 . 1 . . 41391 . . 151 GLN N . 50434 1 511 . 1 . 1 152 152 LYS H H 1 7.4624 0.0000 . 1 . . 41316 . . 152 LYS H . 50434 1 512 . 1 . 1 152 152 LYS C C 13 180.7002 0.0000 . 1 . . 40997 . . 152 LYS C . 50434 1 513 . 1 . 1 152 152 LYS CA C 13 57.0234 0.0000 . 1 . . 40998 . . 152 LYS CA . 50434 1 514 . 1 . 1 152 152 LYS CB C 13 30.1589 0.0000 . 1 . . 18287 . . 152 LYS CB . 50434 1 515 . 1 . 1 152 152 LYS N N 15 117.0913 0.0000 . 1 . . 41319 . . 152 LYS N . 50434 1 516 . 1 . 1 153 153 PHE H H 1 7.5226 0.0000 . 1 . . 40996 . . 153 PHE H . 50434 1 517 . 1 . 1 153 153 PHE C C 13 177.1672 0.0000 . 1 . . 41377 . . 153 PHE C . 50434 1 518 . 1 . 1 153 153 PHE CA C 13 60.4897 0.0000 . 1 . . 41378 . . 153 PHE CA . 50434 1 519 . 1 . 1 153 153 PHE CB C 13 37.4312 0.0000 . 1 . . 29551 . . 153 PHE CB . 50434 1 520 . 1 . 1 153 153 PHE N N 15 118.8099 0.0000 . 1 . . 40999 . . 153 PHE N . 50434 1 521 . 1 . 1 154 154 VAL H H 1 7.1278 0.0000 . 1 . . 41376 . . 154 VAL H . 50434 1 522 . 1 . 1 154 154 VAL CA C 13 66.4220 0.0000 . 1 . . 38924 . . 154 VAL CA . 50434 1 523 . 1 . 1 154 154 VAL CB C 13 30.5867 0.0000 . 1 . . 38926 . . 154 VAL CB . 50434 1 524 . 1 . 1 154 154 VAL N N 15 122.8770 0.0000 . 1 . . 41379 . . 154 VAL N . 50434 1 525 . 1 . 1 155 155 ASP C C 13 177.8912 0.0000 . 1 . . 41309 . . 155 ASP C . 50434 1 526 . 1 . 1 155 155 ASP CA C 13 56.9826 0.0000 . 1 . . 41310 . . 155 ASP CA . 50434 1 527 . 1 . 1 155 155 ASP CB C 13 39.7350 0.0000 . 1 . . 38913 . . 155 ASP CB . 50434 1 528 . 1 . 1 156 156 PHE H H 1 7.5302 0.0000 . 1 . . 41308 . . 156 PHE H . 50434 1 529 . 1 . 1 156 156 PHE C C 13 176.7971 0.0000 . 1 . . 41445 . . 156 PHE C . 50434 1 530 . 1 . 1 156 156 PHE CA C 13 58.5014 0.0000 . 1 . . 41446 . . 156 PHE CA . 50434 1 531 . 1 . 1 156 156 PHE CB C 13 38.0351 0.0000 . 1 . . 18083 . . 156 PHE CB . 50434 1 532 . 1 . 1 156 156 PHE N N 15 120.4946 0.0000 . 1 . . 41311 . . 156 PHE N . 50434 1 533 . 1 . 1 157 157 HIS H H 1 7.8624 0.0000 . 1 . . 41444 . . 157 HIS H . 50434 1 534 . 1 . 1 157 157 HIS C C 13 176.3409 0.0000 . 1 . . 41489 . . 157 HIS C . 50434 1 535 . 1 . 1 157 157 HIS CA C 13 59.3296 0.0000 . 1 . . 41490 . . 157 HIS CA . 50434 1 536 . 1 . 1 157 157 HIS CB C 13 28.5272 0.0000 . 1 . . 18215 . . 157 HIS CB . 50434 1 537 . 1 . 1 157 157 HIS N N 15 118.4348 0.0000 . 1 . . 41447 . . 157 HIS N . 50434 1 538 . 1 . 1 158 158 ASN H H 1 8.5650 0.0000 . 1 . . 41488 . . 158 ASN H . 50434 1 539 . 1 . 1 158 158 ASN C C 13 176.2505 0.0000 . 1 . . 41493 . . 158 ASN C . 50434 1 540 . 1 . 1 158 158 ASN CA C 13 54.7312 0.0000 . 1 . . 41494 . . 158 ASN CA . 50434 1 541 . 1 . 1 158 158 ASN CB C 13 37.0106 0.0000 . 1 . . 18338 . . 158 ASN CB . 50434 1 542 . 1 . 1 158 158 ASN N N 15 115.9768 0.0000 . 1 . . 41491 . . 158 ASN N . 50434 1 543 . 1 . 1 159 159 ASN H H 1 7.7836 0.0000 . 1 . . 41492 . . 159 ASN H . 50434 1 544 . 1 . 1 159 159 ASN C C 13 174.5958 0.0000 . 1 . . 41645 . . 159 ASN C . 50434 1 545 . 1 . 1 159 159 ASN CA C 13 53.0835 0.0000 . 1 . . 41646 . . 159 ASN CA . 50434 1 546 . 1 . 1 159 159 ASN CB C 13 39.5168 0.0000 . 1 . . 18332 . . 159 ASN CB . 50434 1 547 . 1 . 1 159 159 ASN N N 15 115.6861 0.0000 . 1 . . 41495 . . 159 ASN N . 50434 1 548 . 1 . 1 160 160 SER H H 1 7.1871 0.0000 . 1 . . 41644 . . 160 SER H . 50434 1 549 . 1 . 1 160 160 SER C C 13 174.6445 0.0000 . 1 . . 41641 . . 160 SER C . 50434 1 550 . 1 . 1 160 160 SER CA C 13 55.1732 0.0000 . 1 . . 41642 . . 160 SER CA . 50434 1 551 . 1 . 1 160 160 SER CB C 13 61.8860 0.0000 . 1 . . 18347 . . 160 SER CB . 50434 1 552 . 1 . 1 160 160 SER N N 15 115.4891 0.0000 . 1 . . 41647 . . 160 SER N . 50434 1 553 . 1 . 1 161 161 LYS H H 1 8.9084 0.0000 . 1 . . 41640 . . 161 LYS H . 50434 1 554 . 1 . 1 161 161 LYS C C 13 179.5081 0.0000 . 1 . . 41077 . . 161 LYS C . 50434 1 555 . 1 . 1 161 161 LYS CA C 13 58.1481 0.0000 . 1 . . 41078 . . 161 LYS CA . 50434 1 556 . 1 . 1 161 161 LYS CB C 13 30.6495 0.0000 . 1 . . 17807 . . 161 LYS CB . 50434 1 557 . 1 . 1 161 161 LYS N N 15 130.1167 0.0000 . 1 . . 41643 . . 161 LYS N . 50434 1 558 . 1 . 1 162 162 GLU H H 1 8.8847 0.0000 . 1 . . 41076 . . 162 GLU H . 50434 1 559 . 1 . 1 162 162 GLU C C 13 178.0140 0.0000 . 1 . . 41249 . . 162 GLU C . 50434 1 560 . 1 . 1 162 162 GLU CA C 13 61.1138 0.0000 . 1 . . 41250 . . 162 GLU CA . 50434 1 561 . 1 . 1 162 162 GLU CB C 13 26.6662 0.0000 . 1 . . 18020 . . 162 GLU CB . 50434 1 562 . 1 . 1 162 162 GLU N N 15 121.9192 0.0000 . 1 . . 41079 . . 162 GLU N . 50434 1 563 . 1 . 1 163 163 VAL H H 1 8.1615 0.0000 . 1 . . 41248 . . 163 VAL H . 50434 1 564 . 1 . 1 163 163 VAL C C 13 174.5591 0.0000 . 1 . . . . . 163 VAL C . 50434 1 565 . 1 . 1 163 163 VAL CA C 13 66.0143 0.0000 . 1 . . 25435 . . 163 VAL CA . 50434 1 566 . 1 . 1 163 163 VAL CB C 13 30.6753 0.0000 . 1 . . 18044 . . 163 VAL CB . 50434 1 567 . 1 . 1 163 163 VAL N N 15 121.6563 0.0000 . 1 . . 41251 . . 163 VAL N . 50434 1 568 . 1 . 1 164 164 GLN H H 1 7.6449 0.0000 . 1 . . 40136 . . 164 GLN H . 50434 1 569 . 1 . 1 164 164 GLN C C 13 179.8587 0.0000 . 1 . . 41029 . . 164 GLN C . 50434 1 570 . 1 . 1 164 164 GLN CA C 13 59.0278 0.0000 . 1 . . 41030 . . 164 GLN CA . 50434 1 571 . 1 . 1 164 164 GLN CB C 13 26.9052 0.0000 . 1 . . 29892 . . 164 GLN CB . 50434 1 572 . 1 . 1 164 164 GLN N N 15 118.6012 0.0000 . 1 . . 40139 . . 164 GLN N . 50434 1 573 . 1 . 1 165 165 GLY H H 1 8.2411 0.0000 . 1 . . 41028 . . 165 GLY H . 50434 1 574 . 1 . 1 165 165 GLY CA C 13 46.8075 0.0000 . 1 . . 18437 . . 165 GLY CA . 50434 1 575 . 1 . 1 165 165 GLY N N 15 109.6371 0.0000 . 1 . . 41031 . . 165 GLY N . 50434 1 576 . 1 . 1 168 168 GLN C C 13 178.6965 0.0000 . 1 . . 41177 . . 168 GLN C . 50434 1 577 . 1 . 1 168 168 GLN CA C 13 57.9708 0.0000 . 1 . . 41178 . . 168 GLN CA . 50434 1 578 . 1 . 1 168 168 GLN CB C 13 27.1000 0.0000 . 1 . . 38903 . . 168 GLN CB . 50434 1 579 . 1 . 1 169 169 LYS H H 1 8.3301 0.0000 . 1 . . 41176 . . 169 LYS H . 50434 1 580 . 1 . 1 169 169 LYS C C 13 179.9258 0.0000 . 1 . . 41037 . . 169 LYS C . 50434 1 581 . 1 . 1 169 169 LYS CA C 13 57.8364 0.0000 . 1 . . 41038 . . 169 LYS CA . 50434 1 582 . 1 . 1 169 169 LYS CB C 13 30.2178 0.0000 . 1 . . 38210 . . 169 LYS CB . 50434 1 583 . 1 . 1 169 169 LYS N N 15 123.9183 0.0000 . 1 . . 41179 . . 169 LYS N . 50434 1 584 . 1 . 1 170 170 LEU H H 1 7.7405 0.0000 . 1 . . 41036 . . 170 LEU H . 50434 1 585 . 1 . 1 170 170 LEU C C 13 179.6694 0.0000 . 1 . . 41057 . . 170 LEU C . 50434 1 586 . 1 . 1 170 170 LEU CA C 13 58.0364 0.0000 . 1 . . 41058 . . 170 LEU CA . 50434 1 587 . 1 . 1 170 170 LEU CB C 13 40.1666 0.0000 . 1 . . 38019 . . 170 LEU CB . 50434 1 588 . 1 . 1 170 170 LEU N N 15 118.6463 0.0000 . 1 . . 41039 . . 170 LEU N . 50434 1 589 . 1 . 1 171 171 ARG H H 1 8.2168 0.0000 . 1 . . 41056 . . 171 ARG H . 50434 1 590 . 1 . 1 171 171 ARG C C 13 181.4574 0.0000 . 1 . . 40989 . . 171 ARG C . 50434 1 591 . 1 . 1 171 171 ARG CA C 13 59.4388 0.0000 . 1 . . 40990 . . 171 ARG CA . 50434 1 592 . 1 . 1 171 171 ARG CB C 13 29.2211 0.0000 . 1 . . 18254 . . 171 ARG CB . 50434 1 593 . 1 . 1 171 171 ARG N N 15 118.2103 0.0000 . 1 . . 41059 . . 171 ARG N . 50434 1 594 . 1 . 1 172 172 SER H H 1 8.2823 0.0000 . 1 . . 40988 . . 172 SER H . 50434 1 595 . 1 . 1 172 172 SER C C 13 175.5054 0.0000 . 1 . . 41573 . . 172 SER C . 50434 1 596 . 1 . 1 172 172 SER CA C 13 61.1685 0.0000 . 1 . . 41574 . . 172 SER CA . 50434 1 597 . 1 . 1 172 172 SER CB C 13 61.6968 0.0000 . 1 . . 36287 . . 172 SER CB . 50434 1 598 . 1 . 1 172 172 SER N N 15 118.8833 0.0000 . 1 . . 40991 . . 172 SER N . 50434 1 599 . 1 . 1 173 173 TYR H H 1 7.1304 0.0000 . 1 . . 41572 . . 173 TYR H . 50434 1 600 . 1 . 1 173 173 TYR C C 13 175.8783 0.0000 . 1 . . 41537 . . 173 TYR C . 50434 1 601 . 1 . 1 173 173 TYR CA C 13 58.2082 0.0000 . 1 . . 41538 . . 173 TYR CA . 50434 1 602 . 1 . 1 173 173 TYR CB C 13 38.1191 0.0000 . 1 . . 18086 . . 173 TYR CB . 50434 1 603 . 1 . 1 173 173 TYR N N 15 120.5536 0.0000 . 1 . . 41575 . . 173 TYR N . 50434 1 604 . 1 . 1 174 174 GLY H H 1 8.1344 0.0000 . 1 . . 41536 . . 174 GLY H . 50434 1 605 . 1 . 1 174 174 GLY C C 13 174.3889 0.0000 . 1 . . 41661 . . 174 GLY C . 50434 1 606 . 1 . 1 174 174 GLY CA C 13 44.3984 0.0000 . 1 . . 41662 . . 174 GLY CA . 50434 1 607 . 1 . 1 174 174 GLY N N 15 106.8013 0.0000 . 1 . . 41539 . . 174 GLY N . 50434 1 608 . 1 . 1 175 175 LEU H H 1 6.7881 0.0000 . 1 . . 41660 . . 175 LEU H . 50434 1 609 . 1 . 1 175 175 LEU C C 13 177.1797 0.0000 . 1 . . 41401 . . 175 LEU C . 50434 1 610 . 1 . 1 175 175 LEU CA C 13 53.7208 0.0000 . 1 . . 41402 . . 175 LEU CA . 50434 1 611 . 1 . 1 175 175 LEU CB C 13 40.6228 0.0000 . 1 . . 18182 . . 175 LEU CB . 50434 1 612 . 1 . 1 175 175 LEU N N 15 119.0284 0.0000 . 1 . . 41663 . . 175 LEU N . 50434 1 613 . 1 . 1 176 176 ASP H H 1 9.2481 0.0000 . 1 . . 41400 . . 176 ASP H . 50434 1 614 . 1 . 1 176 176 ASP C C 13 176.1503 0.0000 . 1 . . 41505 . . 176 ASP C . 50434 1 615 . 1 . 1 176 176 ASP CA C 13 51.5331 0.0000 . 1 . . 41506 . . 176 ASP CA . 50434 1 616 . 1 . 1 176 176 ASP CB C 13 37.4199 0.0000 . 1 . . 17831 . . 176 ASP CB . 50434 1 617 . 1 . 1 176 176 ASP N N 15 126.3587 0.0000 . 1 . . 41403 . . 176 ASP N . 50434 1 618 . 1 . 1 177 177 VAL H H 1 7.5060 0.0000 . 1 . . 41504 . . 177 VAL H . 50434 1 619 . 1 . 1 177 177 VAL C C 13 176.9083 0.0000 . 1 . . 41481 . . 177 VAL C . 50434 1 620 . 1 . 1 177 177 VAL CA C 13 64.9015 0.0000 . 1 . . 41482 . . 177 VAL CA . 50434 1 621 . 1 . 1 177 177 VAL CB C 13 31.4718 0.0000 . 1 . . 17915 . . 177 VAL CB . 50434 1 622 . 1 . 1 177 177 VAL N N 15 123.6472 0.0000 . 1 . . 41507 . . 177 VAL N . 50434 1 623 . 1 . 1 178 178 ASP H H 1 8.1788 0.0000 . 1 . . 41480 . . 178 ASP H . 50434 1 624 . 1 . 1 178 178 ASP C C 13 178.9790 0.0000 . 1 . . 41153 . . 178 ASP C . 50434 1 625 . 1 . 1 178 178 ASP CA C 13 57.1665 0.0000 . 1 . . 41154 . . 178 ASP CA . 50434 1 626 . 1 . 1 178 178 ASP CB C 13 39.7612 0.0000 . 1 . . 37446 . . 178 ASP CB . 50434 1 627 . 1 . 1 178 178 ASP N N 15 118.5163 0.0000 . 1 . . 41483 . . 178 ASP N . 50434 1 628 . 1 . 1 179 179 GLY H H 1 8.1213 0.0000 . 1 . . 41152 . . 179 GLY H . 50434 1 629 . 1 . 1 179 179 GLY C C 13 176.7920 0.0000 . 1 . . 41453 . . 179 GLY C . 50434 1 630 . 1 . 1 179 179 GLY CA C 13 46.8862 0.0000 . 1 . . 41454 . . 179 GLY CA . 50434 1 631 . 1 . 1 179 179 GLY N N 15 109.9975 0.0000 . 1 . . 41155 . . 179 GLY N . 50434 1 632 . 1 . 1 180 180 PHE H H 1 7.7881 0.0000 . 1 . . 41452 . . 180 PHE H . 50434 1 633 . 1 . 1 180 180 PHE C C 13 176.9083 0.0000 . 1 . . 41437 . . 180 PHE C . 50434 1 634 . 1 . 1 180 180 PHE CA C 13 61.1673 0.0000 . 1 . . 41438 . . 180 PHE CA . 50434 1 635 . 1 . 1 180 180 PHE CB C 13 37.9191 0.0000 . 1 . . 17900 . . 180 PHE CB . 50434 1 636 . 1 . 1 180 180 PHE N N 15 124.2607 0.0000 . 1 . . 41455 . . 180 PHE N . 50434 1 637 . 1 . 1 181 181 PHE H H 1 8.1677 0.0000 . 1 . . 41436 . . 181 PHE H . 50434 1 638 . 1 . 1 181 181 PHE C C 13 178.1012 0.0000 . 1 . . 41257 . . 181 PHE C . 50434 1 639 . 1 . 1 181 181 PHE CA C 13 59.9713 0.0000 . 1 . . 41258 . . 181 PHE CA . 50434 1 640 . 1 . 1 181 181 PHE CB C 13 36.4820 0.0000 . 1 . . 30570 . . 181 PHE CB . 50434 1 641 . 1 . 1 181 181 PHE N N 15 117.9302 0.0000 . 1 . . 41439 . . 181 PHE N . 50434 1 642 . 1 . 1 182 182 ASN H H 1 7.9198 0.0000 . 1 . . 41256 . . 182 ASN H . 50434 1 643 . 1 . 1 182 182 ASN C C 13 178.2006 0.0000 . 1 . . 41289 . . 182 ASN C . 50434 1 644 . 1 . 1 182 182 ASN CA C 13 56.2521 0.0000 . 1 . . 41290 . . 182 ASN CA . 50434 1 645 . 1 . 1 182 182 ASN CB C 13 38.1088 0.0000 . 1 . . 18233 . . 182 ASN CB . 50434 1 646 . 1 . 1 182 182 ASN N N 15 117.9623 0.0000 . 1 . . 41259 . . 182 ASN N . 50434 1 647 . 1 . 1 183 183 LEU H H 1 7.8722 0.0000 . 1 . . 41288 . . 183 LEU H . 50434 1 648 . 1 . 1 183 183 LEU C C 13 179.6629 0.0000 . 1 . . 41061 . . 183 LEU C . 50434 1 649 . 1 . 1 183 183 LEU CA C 13 57.4777 0.0000 . 1 . . 41062 . . 183 LEU CA . 50434 1 650 . 1 . 1 183 183 LEU CB C 13 40.6664 0.0000 . 1 . . 17894 . . 183 LEU CB . 50434 1 651 . 1 . 1 183 183 LEU N N 15 124.3029 0.0000 . 1 . . 41291 . . 183 LEU N . 50434 1 652 . 1 . 1 184 184 VAL H H 1 7.8938 0.0000 . 1 . . 41060 . . 184 VAL H . 50434 1 653 . 1 . 1 184 184 VAL C C 13 178.6805 0.0000 . 1 . . 41197 . . 184 VAL C . 50434 1 654 . 1 . 1 184 184 VAL CA C 13 66.2720 0.0000 . 1 . . 41198 . . 184 VAL CA . 50434 1 655 . 1 . 1 184 184 VAL CB C 13 30.7182 0.0000 . 1 . . 36282 . . 184 VAL CB . 50434 1 656 . 1 . 1 184 184 VAL N N 15 120.5785 0.0000 . 1 . . 41063 . . 184 VAL N . 50434 1 657 . 1 . 1 185 185 ALA H H 1 8.3566 0.0000 . 1 . . 41196 . . 185 ALA H . 50434 1 658 . 1 . 1 185 185 ALA C C 13 180.5915 0.0000 . 1 . . 41001 . . 185 ALA C . 50434 1 659 . 1 . 1 185 185 ALA CA C 13 54.8250 0.0000 . 1 . . 41002 . . 185 ALA CA . 50434 1 660 . 1 . 1 185 185 ALA CB C 13 17.2311 0.0000 . 1 . . 26344 . . 185 ALA CB . 50434 1 661 . 1 . 1 185 185 ALA N N 15 120.2908 0.0000 . 1 . . 41199 . . 185 ALA N . 50434 1 662 . 1 . 1 186 186 GLY H H 1 7.9852 0.0000 . 1 . . 41000 . . 186 GLY H . 50434 1 663 . 1 . 1 186 186 GLY C C 13 176.0872 0.0000 . 1 . . 41565 . . 186 GLY C . 50434 1 664 . 1 . 1 186 186 GLY CA C 13 46.4090 0.0000 . 1 . . 41566 . . 186 GLY CA . 50434 1 665 . 1 . 1 186 186 GLY N N 15 104.5734 0.0000 . 1 . . 41003 . . 186 GLY N . 50434 1 666 . 1 . 1 187 187 PHE H H 1 7.7365 0.0000 . 1 . . 41564 . . 187 PHE H . 50434 1 667 . 1 . 1 187 187 PHE C C 13 176.9771 0.0000 . 1 . . 41441 . . 187 PHE C . 50434 1 668 . 1 . 1 187 187 PHE CA C 13 59.9342 0.0000 . 1 . . 41442 . . 187 PHE CA . 50434 1 669 . 1 . 1 187 187 PHE CB C 13 38.3886 0.0000 . 1 . . 17879 . . 187 PHE CB . 50434 1 670 . 1 . 1 187 187 PHE N N 15 124.7929 0.0000 . 1 . . 41567 . . 187 PHE N . 50434 1 671 . 1 . 1 188 188 PHE H H 1 6.9867 0.0000 . 1 . . 41440 . . 188 PHE H . 50434 1 672 . 1 . 1 188 188 PHE C C 13 174.6969 0.0000 . 1 . . 41629 . . 188 PHE C . 50434 1 673 . 1 . 1 188 188 PHE CA C 13 57.9818 0.0000 . 1 . . 41630 . . 188 PHE CA . 50434 1 674 . 1 . 1 188 188 PHE CB C 13 37.4872 0.0000 . 1 . . 33580 . . 188 PHE CB . 50434 1 675 . 1 . 1 188 188 PHE N N 15 113.3911 0.0000 . 1 . . 41443 . . 188 PHE N . 50434 1 676 . 1 . 1 189 189 GLY H H 1 7.4866 0.0000 . 1 . . 41628 . . 189 GLY H . 50434 1 677 . 1 . 1 189 189 GLY C C 13 175.0804 0.0000 . 1 . . 41621 . . 189 GLY C . 50434 1 678 . 1 . 1 189 189 GLY CA C 13 45.5520 0.0000 . 1 . . 41622 . . 189 GLY CA . 50434 1 679 . 1 . 1 189 189 GLY N N 15 108.2126 0.0000 . 1 . . 41631 . . 189 GLY N . 50434 1 680 . 1 . 1 190 190 TRP H H 1 7.9543 0.0000 . 1 . . 41620 . . 190 TRP H . 50434 1 681 . 1 . 1 190 190 TRP C C 13 176.0162 0.0000 . 1 . . 41553 . . 190 TRP C . 50434 1 682 . 1 . 1 190 190 TRP CA C 13 54.3967 0.0000 . 1 . . 41554 . . 190 TRP CA . 50434 1 683 . 1 . 1 190 190 TRP CB C 13 27.9090 0.0000 . 1 . . 17942 . . 190 TRP CB . 50434 1 684 . 1 . 1 190 190 TRP N N 15 123.2518 0.0000 . 1 . . 41623 . . 190 TRP N . 50434 1 685 . 1 . 1 191 191 GLY H H 1 7.9784 0.0000 . 1 . . 41552 . . 191 GLY H . 50434 1 686 . 1 . 1 191 191 GLY C C 13 173.6380 0.0000 . 1 . . 41669 . . 191 GLY C . 50434 1 687 . 1 . 1 191 191 GLY CA C 13 45.1031 0.0000 . 1 . . 41670 . . 191 GLY CA . 50434 1 688 . 1 . 1 191 191 GLY N N 15 110.9118 0.0000 . 1 . . 41555 . . 191 GLY N . 50434 1 689 . 1 . 1 192 192 LYS H H 1 7.7232 0.0000 . 1 . . 41668 . . 192 LYS H . 50434 1 690 . 1 . 1 192 192 LYS C C 13 175.3035 0.0000 . 1 . . 41593 . . 192 LYS C . 50434 1 691 . 1 . 1 192 192 LYS CA C 13 55.0160 0.0000 . 1 . . 41594 . . 192 LYS CA . 50434 1 692 . 1 . 1 192 192 LYS CB C 13 31.7348 0.0000 . 1 . . 18071 . . 192 LYS CB . 50434 1 693 . 1 . 1 192 192 LYS N N 15 120.8110 0.0000 . 1 . . 41671 . . 192 LYS N . 50434 1 694 . 1 . 1 193 193 PHE H H 1 7.7871 0.0000 . 1 . . 41592 . . 193 PHE H . 50434 1 695 . 1 . 1 193 193 PHE CA C 13 58.5768 0.0000 . 1 . . 18848 . . 193 PHE CA . 50434 1 696 . 1 . 1 193 193 PHE CB C 13 39.6816 0.0000 . 1 . . 17819 . . 193 PHE CB . 50434 1 697 . 1 . 1 193 193 PHE N N 15 126.8755 0.0000 . 1 . . 41595 . . 193 PHE N . 50434 1 stop_ save_