data_34338 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34338 _Entry.Title ; Solution NMR structure of outer membrane protein AlkL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-19 _Entry.Accession_date 2018-12-19 _Entry.Last_release_date 2020-01-07 _Entry.Original_release_date 2020-01-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34338 stop_ 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 T. Schubeis T. . . . 34338 2 L. Andreas L. B. . . 34338 3 G. Pintacuda G. . . . 34338 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MEMBRANE PROTEIN' . 34338 'Outer membrane Beta Barrel Porin Transporter' . 34338 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34338 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 34338 '15N chemical shifts' 127 34338 '1H chemical shifts' 127 34338 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-08-16 2018-12-19 update BMRB 'update entry citation' 34338 1 . . 2020-01-13 2018-12-19 original author 'original release' 34338 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6QAM . 34338 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34338 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32817429 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A beta-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL ; _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 117 _Citation.Journal_issue 35 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 21014 _Citation.Page_last 21021 _Citation.Year 2020 _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 Tobias Schubeis T. . . . 34338 1 2 Tanguy 'Le Marchand' T. . . . 34338 1 3 Csaba Daday C. . . . 34338 1 4 Wojciech Kopec W. . . . 34338 1 5 Kumar 'Tekwani Movellan' K. . . . 34338 1 6 Jan Stanek J. . . . 34338 1 7 Tom Schwarzer T. S. . . 34338 1 8 Kathrin Castiglione K. . . . 34338 1 9 Bert 'de Groot' B. L. . . 34338 1 10 Guido Pintacuda G. . . . 34338 1 11 Loren Andreas L. B. . . 34338 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34338 _Assembly.ID 1 _Assembly.Name 'Outer membrane protein AlkL' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34338 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34338 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNENYPAKSAGYNQGDWVAS FNFSKVYVGEELGDLNVGGG ALPNADVSIGNDTTLTFDIA YFVSSNIAVDFFVGVPARAK FQGEKSISSLGRVSEVDYGP AILSLQYHYDSFERLYPYVG VGVGRVLFFDKTDGALSSFD IKDKWAPAFQVGLRYDLGNS WMLNSDVRYIPFKTDVTGTL GPVPVSTKIEVDPFILSLGA SYVFKLAAALEHHHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 219 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24087.912 _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 . MET . 34338 1 2 . ASN . 34338 1 3 . GLU . 34338 1 4 . ASN . 34338 1 5 . TYR . 34338 1 6 . PRO . 34338 1 7 . ALA . 34338 1 8 . LYS . 34338 1 9 . SER . 34338 1 10 . ALA . 34338 1 11 . GLY . 34338 1 12 . TYR . 34338 1 13 . ASN . 34338 1 14 . GLN . 34338 1 15 . GLY . 34338 1 16 . ASP . 34338 1 17 . TRP . 34338 1 18 . VAL . 34338 1 19 . ALA . 34338 1 20 . SER . 34338 1 21 . PHE . 34338 1 22 . ASN . 34338 1 23 . PHE . 34338 1 24 . SER . 34338 1 25 . LYS . 34338 1 26 . VAL . 34338 1 27 . TYR . 34338 1 28 . VAL . 34338 1 29 . GLY . 34338 1 30 . GLU . 34338 1 31 . GLU . 34338 1 32 . LEU . 34338 1 33 . GLY . 34338 1 34 . ASP . 34338 1 35 . LEU . 34338 1 36 . ASN . 34338 1 37 . VAL . 34338 1 38 . GLY . 34338 1 39 . GLY . 34338 1 40 . GLY . 34338 1 41 . ALA . 34338 1 42 . LEU . 34338 1 43 . PRO . 34338 1 44 . ASN . 34338 1 45 . ALA . 34338 1 46 . ASP . 34338 1 47 . VAL . 34338 1 48 . SER . 34338 1 49 . ILE . 34338 1 50 . GLY . 34338 1 51 . ASN . 34338 1 52 . ASP . 34338 1 53 . THR . 34338 1 54 . THR . 34338 1 55 . LEU . 34338 1 56 . THR . 34338 1 57 . PHE . 34338 1 58 . ASP . 34338 1 59 . ILE . 34338 1 60 . ALA . 34338 1 61 . TYR . 34338 1 62 . PHE . 34338 1 63 . VAL . 34338 1 64 . SER . 34338 1 65 . SER . 34338 1 66 . ASN . 34338 1 67 . ILE . 34338 1 68 . ALA . 34338 1 69 . VAL . 34338 1 70 . ASP . 34338 1 71 . PHE . 34338 1 72 . PHE . 34338 1 73 . VAL . 34338 1 74 . GLY . 34338 1 75 . VAL . 34338 1 76 . PRO . 34338 1 77 . ALA . 34338 1 78 . ARG . 34338 1 79 . ALA . 34338 1 80 . LYS . 34338 1 81 . PHE . 34338 1 82 . GLN . 34338 1 83 . GLY . 34338 1 84 . GLU . 34338 1 85 . LYS . 34338 1 86 . SER . 34338 1 87 . ILE . 34338 1 88 . SER . 34338 1 89 . SER . 34338 1 90 . LEU . 34338 1 91 . GLY . 34338 1 92 . ARG . 34338 1 93 . VAL . 34338 1 94 . SER . 34338 1 95 . GLU . 34338 1 96 . VAL . 34338 1 97 . ASP . 34338 1 98 . TYR . 34338 1 99 . GLY . 34338 1 100 . PRO . 34338 1 101 . ALA . 34338 1 102 . ILE . 34338 1 103 . LEU . 34338 1 104 . SER . 34338 1 105 . LEU . 34338 1 106 . GLN . 34338 1 107 . TYR . 34338 1 108 . HIS . 34338 1 109 . TYR . 34338 1 110 . ASP . 34338 1 111 . SER . 34338 1 112 . PHE . 34338 1 113 . GLU . 34338 1 114 . ARG . 34338 1 115 . LEU . 34338 1 116 . TYR . 34338 1 117 . PRO . 34338 1 118 . TYR . 34338 1 119 . VAL . 34338 1 120 . GLY . 34338 1 121 . VAL . 34338 1 122 . GLY . 34338 1 123 . VAL . 34338 1 124 . GLY . 34338 1 125 . ARG . 34338 1 126 . VAL . 34338 1 127 . LEU . 34338 1 128 . PHE . 34338 1 129 . PHE . 34338 1 130 . ASP . 34338 1 131 . LYS . 34338 1 132 . THR . 34338 1 133 . ASP . 34338 1 134 . GLY . 34338 1 135 . ALA . 34338 1 136 . LEU . 34338 1 137 . SER . 34338 1 138 . SER . 34338 1 139 . PHE . 34338 1 140 . ASP . 34338 1 141 . ILE . 34338 1 142 . LYS . 34338 1 143 . ASP . 34338 1 144 . LYS . 34338 1 145 . TRP . 34338 1 146 . ALA . 34338 1 147 . PRO . 34338 1 148 . ALA . 34338 1 149 . PHE . 34338 1 150 . GLN . 34338 1 151 . VAL . 34338 1 152 . GLY . 34338 1 153 . LEU . 34338 1 154 . ARG . 34338 1 155 . TYR . 34338 1 156 . ASP . 34338 1 157 . LEU . 34338 1 158 . GLY . 34338 1 159 . ASN . 34338 1 160 . SER . 34338 1 161 . TRP . 34338 1 162 . MET . 34338 1 163 . LEU . 34338 1 164 . ASN . 34338 1 165 . SER . 34338 1 166 . ASP . 34338 1 167 . VAL . 34338 1 168 . ARG . 34338 1 169 . TYR . 34338 1 170 . ILE . 34338 1 171 . PRO . 34338 1 172 . PHE . 34338 1 173 . LYS . 34338 1 174 . THR . 34338 1 175 . ASP . 34338 1 176 . VAL . 34338 1 177 . THR . 34338 1 178 . GLY . 34338 1 179 . THR . 34338 1 180 . LEU . 34338 1 181 . GLY . 34338 1 182 . PRO . 34338 1 183 . VAL . 34338 1 184 . PRO . 34338 1 185 . VAL . 34338 1 186 . SER . 34338 1 187 . THR . 34338 1 188 . LYS . 34338 1 189 . ILE . 34338 1 190 . GLU . 34338 1 191 . VAL . 34338 1 192 . ASP . 34338 1 193 . PRO . 34338 1 194 . PHE . 34338 1 195 . ILE . 34338 1 196 . LEU . 34338 1 197 . SER . 34338 1 198 . LEU . 34338 1 199 . GLY . 34338 1 200 . ALA . 34338 1 201 . SER . 34338 1 202 . TYR . 34338 1 203 . VAL . 34338 1 204 . PHE . 34338 1 205 . LYS . 34338 1 206 . LEU . 34338 1 207 . ALA . 34338 1 208 . ALA . 34338 1 209 . ALA . 34338 1 210 . LEU . 34338 1 211 . GLU . 34338 1 212 . HIS . 34338 1 213 . HIS . 34338 1 214 . HIS . 34338 1 215 . HIS . 34338 1 216 . HIS . 34338 1 217 . HIS . 34338 1 218 . HIS . 34338 1 219 . HIS . 34338 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 34338 1 . ASN 2 2 34338 1 . GLU 3 3 34338 1 . ASN 4 4 34338 1 . TYR 5 5 34338 1 . PRO 6 6 34338 1 . ALA 7 7 34338 1 . LYS 8 8 34338 1 . SER 9 9 34338 1 . ALA 10 10 34338 1 . GLY 11 11 34338 1 . TYR 12 12 34338 1 . ASN 13 13 34338 1 . GLN 14 14 34338 1 . GLY 15 15 34338 1 . ASP 16 16 34338 1 . TRP 17 17 34338 1 . VAL 18 18 34338 1 . ALA 19 19 34338 1 . SER 20 20 34338 1 . PHE 21 21 34338 1 . ASN 22 22 34338 1 . PHE 23 23 34338 1 . SER 24 24 34338 1 . LYS 25 25 34338 1 . VAL 26 26 34338 1 . TYR 27 27 34338 1 . VAL 28 28 34338 1 . GLY 29 29 34338 1 . GLU 30 30 34338 1 . GLU 31 31 34338 1 . LEU 32 32 34338 1 . GLY 33 33 34338 1 . ASP 34 34 34338 1 . LEU 35 35 34338 1 . ASN 36 36 34338 1 . VAL 37 37 34338 1 . GLY 38 38 34338 1 . GLY 39 39 34338 1 . GLY 40 40 34338 1 . ALA 41 41 34338 1 . LEU 42 42 34338 1 . PRO 43 43 34338 1 . ASN 44 44 34338 1 . ALA 45 45 34338 1 . ASP 46 46 34338 1 . VAL 47 47 34338 1 . SER 48 48 34338 1 . ILE 49 49 34338 1 . GLY 50 50 34338 1 . ASN 51 51 34338 1 . ASP 52 52 34338 1 . THR 53 53 34338 1 . THR 54 54 34338 1 . LEU 55 55 34338 1 . THR 56 56 34338 1 . PHE 57 57 34338 1 . ASP 58 58 34338 1 . ILE 59 59 34338 1 . ALA 60 60 34338 1 . TYR 61 61 34338 1 . PHE 62 62 34338 1 . VAL 63 63 34338 1 . SER 64 64 34338 1 . SER 65 65 34338 1 . ASN 66 66 34338 1 . ILE 67 67 34338 1 . ALA 68 68 34338 1 . VAL 69 69 34338 1 . ASP 70 70 34338 1 . PHE 71 71 34338 1 . PHE 72 72 34338 1 . VAL 73 73 34338 1 . GLY 74 74 34338 1 . VAL 75 75 34338 1 . PRO 76 76 34338 1 . ALA 77 77 34338 1 . ARG 78 78 34338 1 . ALA 79 79 34338 1 . LYS 80 80 34338 1 . PHE 81 81 34338 1 . GLN 82 82 34338 1 . GLY 83 83 34338 1 . GLU 84 84 34338 1 . LYS 85 85 34338 1 . SER 86 86 34338 1 . ILE 87 87 34338 1 . SER 88 88 34338 1 . SER 89 89 34338 1 . LEU 90 90 34338 1 . GLY 91 91 34338 1 . ARG 92 92 34338 1 . VAL 93 93 34338 1 . SER 94 94 34338 1 . GLU 95 95 34338 1 . VAL 96 96 34338 1 . ASP 97 97 34338 1 . TYR 98 98 34338 1 . GLY 99 99 34338 1 . PRO 100 100 34338 1 . ALA 101 101 34338 1 . ILE 102 102 34338 1 . LEU 103 103 34338 1 . SER 104 104 34338 1 . LEU 105 105 34338 1 . GLN 106 106 34338 1 . TYR 107 107 34338 1 . HIS 108 108 34338 1 . TYR 109 109 34338 1 . ASP 110 110 34338 1 . SER 111 111 34338 1 . PHE 112 112 34338 1 . GLU 113 113 34338 1 . ARG 114 114 34338 1 . LEU 115 115 34338 1 . TYR 116 116 34338 1 . PRO 117 117 34338 1 . TYR 118 118 34338 1 . VAL 119 119 34338 1 . GLY 120 120 34338 1 . VAL 121 121 34338 1 . GLY 122 122 34338 1 . VAL 123 123 34338 1 . GLY 124 124 34338 1 . ARG 125 125 34338 1 . VAL 126 126 34338 1 . LEU 127 127 34338 1 . PHE 128 128 34338 1 . PHE 129 129 34338 1 . ASP 130 130 34338 1 . LYS 131 131 34338 1 . THR 132 132 34338 1 . ASP 133 133 34338 1 . GLY 134 134 34338 1 . ALA 135 135 34338 1 . LEU 136 136 34338 1 . SER 137 137 34338 1 . SER 138 138 34338 1 . PHE 139 139 34338 1 . ASP 140 140 34338 1 . ILE 141 141 34338 1 . LYS 142 142 34338 1 . ASP 143 143 34338 1 . LYS 144 144 34338 1 . TRP 145 145 34338 1 . ALA 146 146 34338 1 . PRO 147 147 34338 1 . ALA 148 148 34338 1 . PHE 149 149 34338 1 . GLN 150 150 34338 1 . VAL 151 151 34338 1 . GLY 152 152 34338 1 . LEU 153 153 34338 1 . ARG 154 154 34338 1 . TYR 155 155 34338 1 . ASP 156 156 34338 1 . LEU 157 157 34338 1 . GLY 158 158 34338 1 . ASN 159 159 34338 1 . SER 160 160 34338 1 . TRP 161 161 34338 1 . MET 162 162 34338 1 . LEU 163 163 34338 1 . ASN 164 164 34338 1 . SER 165 165 34338 1 . ASP 166 166 34338 1 . VAL 167 167 34338 1 . ARG 168 168 34338 1 . TYR 169 169 34338 1 . ILE 170 170 34338 1 . PRO 171 171 34338 1 . PHE 172 172 34338 1 . LYS 173 173 34338 1 . THR 174 174 34338 1 . ASP 175 175 34338 1 . VAL 176 176 34338 1 . THR 177 177 34338 1 . GLY 178 178 34338 1 . THR 179 179 34338 1 . LEU 180 180 34338 1 . GLY 181 181 34338 1 . PRO 182 182 34338 1 . VAL 183 183 34338 1 . PRO 184 184 34338 1 . VAL 185 185 34338 1 . SER 186 186 34338 1 . THR 187 187 34338 1 . LYS 188 188 34338 1 . ILE 189 189 34338 1 . GLU 190 190 34338 1 . VAL 191 191 34338 1 . ASP 192 192 34338 1 . PRO 193 193 34338 1 . PHE 194 194 34338 1 . ILE 195 195 34338 1 . LEU 196 196 34338 1 . SER 197 197 34338 1 . LEU 198 198 34338 1 . GLY 199 199 34338 1 . ALA 200 200 34338 1 . SER 201 201 34338 1 . TYR 202 202 34338 1 . VAL 203 203 34338 1 . PHE 204 204 34338 1 . LYS 205 205 34338 1 . LEU 206 206 34338 1 . ALA 207 207 34338 1 . ALA 208 208 34338 1 . ALA 209 209 34338 1 . LEU 210 210 34338 1 . GLU 211 211 34338 1 . HIS 212 212 34338 1 . HIS 213 213 34338 1 . HIS 214 214 34338 1 . HIS 215 215 34338 1 . HIS 216 216 34338 1 . HIS 217 217 34338 1 . HIS 218 218 34338 1 . HIS 219 219 34338 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34338 _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 . 301 organism . 'Pseudomonas oleovorans' 'Pseudomonas oleovorans' . . Bacteria . Pseudomonas oleovorans . . . . . . . . . . . alkL . 34338 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34338 _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' . . 562 Escherichia coli . . . . . . . . . . 34338 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34338 _Sample.ID 1 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details '333 uM [U-13C; U-15N; U-2H] Outer membrane protein AlkL, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _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 'Outer membrane protein AlkL' '[U-13C; U-15N; U-2H]' 1 $assembly 1 $entity_1 . . 333 . . uM . . . . 34338 1 2 'Sodium Phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34338 1 3 glutamate 'natural abundance' . . . . . . 10 . . mM . . . . 34338 1 4 arginine 'natural abundance' . . . . . . 10 . . mM . . . . 34338 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 34338 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 34338 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 34338 1 pH 7 . pH 34338 1 pressure 1 . atm 34338 1 temperature 308 . K 34338 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34338 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34338 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34338 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34338 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34338 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34338 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 34338 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34338 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1000 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34338 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34338 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 1000 . . . 34338 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34338 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34338 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34338 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34338 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34338 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34338 1 6 '3D 1H-15N NOESY TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34338 1 7 '3D 1H-15N NOESY TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34338 1 8 '3D 1H-15N HSQC NOESY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34338 1 9 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34338 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 34338 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 34338 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external indirect 1.0 . . . . . 34338 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 34338 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 34338 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 34338 1 2 '3D HNCA' . . . 34338 1 3 '3D HNCACB' . . . 34338 1 4 '3D HN(CO)CA' . . . 34338 1 5 '3D HN(CA)CO' . . . 34338 1 6 '3D 1H-15N NOESY TROSY' . . . 34338 1 7 '3D 1H-15N NOESY TROSY' . . . 34338 1 8 '3D 1H-15N HSQC NOESY HSQC' . . . 34338 1 9 '2D 1H-15N TROSY' . . . 34338 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 9 9 SER CA C 13 57.791 0.04 . 1 . . . . A 9 SER CA . 34338 1 2 . 1 . 1 9 9 SER CB C 13 63.316 0.04 . 1 . . . . A 9 SER CB . 34338 1 3 . 1 . 1 10 10 ALA H H 1 8.107 0.01 . 1 . . . . A 10 ALA H . 34338 1 4 . 1 . 1 10 10 ALA C C 13 177.375 0.04 . 1 . . . . A 10 ALA C . 34338 1 5 . 1 . 1 10 10 ALA CA C 13 51.779 0.04 . 1 . . . . A 10 ALA CA . 34338 1 6 . 1 . 1 10 10 ALA CB C 13 19.380 0.04 . 1 . . . . A 10 ALA CB . 34338 1 7 . 1 . 1 10 10 ALA N N 15 126.622 0.15 . 1 . . . . A 10 ALA N . 34338 1 8 . 1 . 1 11 11 GLY H H 1 7.953 0.01 . 1 . . . . A 11 GLY H . 34338 1 9 . 1 . 1 11 11 GLY C C 13 172.853 0.04 . 1 . . . . A 11 GLY C . 34338 1 10 . 1 . 1 11 11 GLY CA C 13 44.502 0.04 . 1 . . . . A 11 GLY CA . 34338 1 11 . 1 . 1 11 11 GLY N N 15 108.722 0.15 . 1 . . . . A 11 GLY N . 34338 1 12 . 1 . 1 12 12 TYR H H 1 7.642 0.01 . 1 . . . . A 12 TYR H . 34338 1 13 . 1 . 1 12 12 TYR C C 13 174.887 0.04 . 1 . . . . A 12 TYR C . 34338 1 14 . 1 . 1 12 12 TYR CA C 13 55.664 0.04 . 1 . . . . A 12 TYR CA . 34338 1 15 . 1 . 1 12 12 TYR CB C 13 38.712 0.04 . 1 . . . . A 12 TYR CB . 34338 1 16 . 1 . 1 12 12 TYR N N 15 121.117 0.15 . 1 . . . . A 12 TYR N . 34338 1 17 . 1 . 1 13 13 ASN H H 1 8.539 0.01 . 1 . . . . A 13 ASN H . 34338 1 18 . 1 . 1 13 13 ASN C C 13 173.156 0.04 . 1 . . . . A 13 ASN C . 34338 1 19 . 1 . 1 13 13 ASN CA C 13 51.081 0.04 . 1 . . . . A 13 ASN CA . 34338 1 20 . 1 . 1 13 13 ASN CB C 13 42.059 0.04 . 1 . . . . A 13 ASN CB . 34338 1 21 . 1 . 1 13 13 ASN N N 15 119.653 0.15 . 1 . . . . A 13 ASN N . 34338 1 22 . 1 . 1 14 14 GLN H H 1 8.190 0.01 . 1 . . . . A 14 GLN H . 34338 1 23 . 1 . 1 14 14 GLN C C 13 176.390 0.04 . 1 . . . . A 14 GLN C . 34338 1 24 . 1 . 1 14 14 GLN CA C 13 56.975 0.04 . 1 . . . . A 14 GLN CA . 34338 1 25 . 1 . 1 14 14 GLN CB C 13 27.400 0.04 . 1 . . . . A 14 GLN CB . 34338 1 26 . 1 . 1 14 14 GLN N N 15 119.800 0.15 . 1 . . . . A 14 GLN N . 34338 1 27 . 1 . 1 15 15 GLY H H 1 8.895 0.01 . 1 . . . . A 15 GLY H . 34338 1 28 . 1 . 1 15 15 GLY C C 13 173.561 0.04 . 1 . . . . A 15 GLY C . 34338 1 29 . 1 . 1 15 15 GLY CA C 13 44.131 0.04 . 1 . . . . A 15 GLY CA . 34338 1 30 . 1 . 1 15 15 GLY N N 15 117.118 0.15 . 1 . . . . A 15 GLY N . 34338 1 31 . 1 . 1 16 16 ASP H H 1 7.710 0.01 . 1 . . . . A 16 ASP H . 34338 1 32 . 1 . 1 16 16 ASP C C 13 174.861 0.04 . 1 . . . . A 16 ASP C . 34338 1 33 . 1 . 1 16 16 ASP CA C 13 55.074 0.04 . 1 . . . . A 16 ASP CA . 34338 1 34 . 1 . 1 16 16 ASP CB C 13 40.457 0.04 . 1 . . . . A 16 ASP CB . 34338 1 35 . 1 . 1 16 16 ASP N N 15 121.814 0.15 . 1 . . . . A 16 ASP N . 34338 1 36 . 1 . 1 17 17 TRP H H 1 8.323 0.01 . 1 . . . . A 17 TRP H . 34338 1 37 . 1 . 1 17 17 TRP C C 13 176.309 0.04 . 1 . . . . A 17 TRP C . 34338 1 38 . 1 . 1 17 17 TRP CA C 13 55.112 0.04 . 1 . . . . A 17 TRP CA . 34338 1 39 . 1 . 1 17 17 TRP N N 15 118.722 0.15 . 1 . . . . A 17 TRP N . 34338 1 40 . 1 . 1 18 18 VAL H H 1 9.343 0.01 . 1 . . . . A 18 VAL H . 34338 1 41 . 1 . 1 18 18 VAL C C 13 176.603 0.04 . 1 . . . . A 18 VAL C . 34338 1 42 . 1 . 1 18 18 VAL CA C 13 60.343 0.04 . 1 . . . . A 18 VAL CA . 34338 1 43 . 1 . 1 18 18 VAL CB C 13 33.988 0.04 . 1 . . . . A 18 VAL CB . 34338 1 44 . 1 . 1 18 18 VAL N N 15 119.218 0.15 . 1 . . . . A 18 VAL N . 34338 1 45 . 1 . 1 19 19 ALA H H 1 9.348 0.01 . 1 . . . . A 19 ALA H . 34338 1 46 . 1 . 1 19 19 ALA C C 13 174.752 0.04 . 1 . . . . A 19 ALA C . 34338 1 47 . 1 . 1 19 19 ALA CA C 13 50.081 0.04 . 1 . . . . A 19 ALA CA . 34338 1 48 . 1 . 1 19 19 ALA CB C 13 20.976 0.04 . 1 . . . . A 19 ALA CB . 34338 1 49 . 1 . 1 19 19 ALA N N 15 134.638 0.15 . 1 . . . . A 19 ALA N . 34338 1 50 . 1 . 1 20 20 SER H H 1 8.725 0.01 . 1 . . . . A 20 SER H . 34338 1 51 . 1 . 1 20 20 SER C C 13 171.500 0.04 . 1 . . . . A 20 SER C . 34338 1 52 . 1 . 1 20 20 SER CA C 13 57.161 0.04 . 1 . . . . A 20 SER CA . 34338 1 53 . 1 . 1 20 20 SER CB C 13 64.468 0.04 . 1 . . . . A 20 SER CB . 34338 1 54 . 1 . 1 20 20 SER N N 15 118.093 0.15 . 1 . . . . A 20 SER N . 34338 1 55 . 1 . 1 21 21 PHE H H 1 8.844 0.01 . 1 . . . . A 21 PHE H . 34338 1 56 . 1 . 1 21 21 PHE C C 13 173.576 0.04 . 1 . . . . A 21 PHE C . 34338 1 57 . 1 . 1 21 21 PHE CA C 13 55.428 0.04 . 1 . . . . A 21 PHE CA . 34338 1 58 . 1 . 1 21 21 PHE CB C 13 41.825 0.04 . 1 . . . . A 21 PHE CB . 34338 1 59 . 1 . 1 21 21 PHE N N 15 123.338 0.15 . 1 . . . . A 21 PHE N . 34338 1 60 . 1 . 1 22 22 ASN H H 1 8.592 0.01 . 1 . . . . A 22 ASN H . 34338 1 61 . 1 . 1 22 22 ASN C C 13 173.884 0.04 . 1 . . . . A 22 ASN C . 34338 1 62 . 1 . 1 22 22 ASN CA C 13 51.954 0.04 . 1 . . . . A 22 ASN CA . 34338 1 63 . 1 . 1 22 22 ASN CB C 13 43.544 0.04 . 1 . . . . A 22 ASN CB . 34338 1 64 . 1 . 1 22 22 ASN N N 15 118.806 0.15 . 1 . . . . A 22 ASN N . 34338 1 65 . 1 . 1 23 23 PHE H H 1 9.302 0.01 . 1 . . . . A 23 PHE H . 34338 1 66 . 1 . 1 23 23 PHE C C 13 176.353 0.04 . 1 . . . . A 23 PHE C . 34338 1 67 . 1 . 1 23 23 PHE CA C 13 57.601 0.04 . 1 . . . . A 23 PHE CA . 34338 1 68 . 1 . 1 23 23 PHE CB C 13 39.290 0.04 . 1 . . . . A 23 PHE CB . 34338 1 69 . 1 . 1 23 23 PHE N N 15 120.039 0.15 . 1 . . . . A 23 PHE N . 34338 1 70 . 1 . 1 24 24 SER H H 1 8.956 0.01 . 1 . . . . A 24 SER H . 34338 1 71 . 1 . 1 24 24 SER C C 13 172.744 0.04 . 1 . . . . A 24 SER C . 34338 1 72 . 1 . 1 24 24 SER CA C 13 57.618 0.04 . 1 . . . . A 24 SER CA . 34338 1 73 . 1 . 1 24 24 SER CB C 13 64.094 0.04 . 1 . . . . A 24 SER CB . 34338 1 74 . 1 . 1 24 24 SER N N 15 119.372 0.15 . 1 . . . . A 24 SER N . 34338 1 75 . 1 . 1 25 25 LYS H H 1 9.190 0.01 . 1 . . . . A 25 LYS H . 34338 1 76 . 1 . 1 25 25 LYS C C 13 174.485 0.04 . 1 . . . . A 25 LYS C . 34338 1 77 . 1 . 1 25 25 LYS CA C 13 54.269 0.04 . 1 . . . . A 25 LYS CA . 34338 1 78 . 1 . 1 25 25 LYS CB C 13 36.075 0.04 . 1 . . . . A 25 LYS CB . 34338 1 79 . 1 . 1 25 25 LYS N N 15 125.509 0.15 . 1 . . . . A 25 LYS N . 34338 1 80 . 1 . 1 26 26 VAL H H 1 8.518 0.01 . 1 . . . . A 26 VAL H . 34338 1 81 . 1 . 1 26 26 VAL C C 13 174.728 0.04 . 1 . . . . A 26 VAL C . 34338 1 82 . 1 . 1 26 26 VAL CA C 13 60.868 0.04 . 1 . . . . A 26 VAL CA . 34338 1 83 . 1 . 1 26 26 VAL CB C 13 31.997 0.04 . 1 . . . . A 26 VAL CB . 34338 1 84 . 1 . 1 26 26 VAL N N 15 125.435 0.15 . 1 . . . . A 26 VAL N . 34338 1 85 . 1 . 1 27 27 TYR H H 1 9.406 0.01 . 1 . . . . A 27 TYR H . 34338 1 86 . 1 . 1 27 27 TYR C C 13 174.949 0.04 . 1 . . . . A 27 TYR C . 34338 1 87 . 1 . 1 27 27 TYR CA C 13 57.010 0.04 . 1 . . . . A 27 TYR CA . 34338 1 88 . 1 . 1 27 27 TYR CB C 13 41.010 0.04 . 1 . . . . A 27 TYR CB . 34338 1 89 . 1 . 1 27 27 TYR N N 15 128.463 0.15 . 1 . . . . A 27 TYR N . 34338 1 90 . 1 . 1 28 28 VAL H H 1 8.570 0.01 . 1 . . . . A 28 VAL H . 34338 1 91 . 1 . 1 28 28 VAL C C 13 176.368 0.04 . 1 . . . . A 28 VAL C . 34338 1 92 . 1 . 1 28 28 VAL CA C 13 60.358 0.04 . 1 . . . . A 28 VAL CA . 34338 1 93 . 1 . 1 28 28 VAL CB C 13 32.946 0.04 . 1 . . . . A 28 VAL CB . 34338 1 94 . 1 . 1 28 28 VAL N N 15 120.061 0.15 . 1 . . . . A 28 VAL N . 34338 1 95 . 1 . 1 29 29 GLY H H 1 8.308 0.01 . 1 . . . . A 29 GLY H . 34338 1 96 . 1 . 1 29 29 GLY C C 13 174.563 0.04 . 1 . . . . A 29 GLY C . 34338 1 97 . 1 . 1 29 29 GLY CA C 13 46.078 0.04 . 1 . . . . A 29 GLY CA . 34338 1 98 . 1 . 1 29 29 GLY N N 15 112.244 0.15 . 1 . . . . A 29 GLY N . 34338 1 99 . 1 . 1 30 30 GLU H H 1 8.476 0.01 . 1 . . . . A 30 GLU H . 34338 1 100 . 1 . 1 30 30 GLU C C 13 176.983 0.04 . 1 . . . . A 30 GLU C . 34338 1 101 . 1 . 1 30 30 GLU CA C 13 56.855 0.04 . 1 . . . . A 30 GLU CA . 34338 1 102 . 1 . 1 30 30 GLU CB C 13 29.710 0.04 . 1 . . . . A 30 GLU CB . 34338 1 103 . 1 . 1 30 30 GLU N N 15 121.167 0.15 . 1 . . . . A 30 GLU N . 34338 1 104 . 1 . 1 31 31 GLU H H 1 8.410 0.01 . 1 . . . . A 31 GLU H . 34338 1 105 . 1 . 1 31 31 GLU C C 13 177.090 0.04 . 1 . . . . A 31 GLU C . 34338 1 106 . 1 . 1 31 31 GLU CA C 13 56.684 0.04 . 1 . . . . A 31 GLU CA . 34338 1 107 . 1 . 1 31 31 GLU CB C 13 29.430 0.04 . 1 . . . . A 31 GLU CB . 34338 1 108 . 1 . 1 31 31 GLU N N 15 121.273 0.15 . 1 . . . . A 31 GLU N . 34338 1 109 . 1 . 1 32 32 LEU H H 1 8.028 0.01 . 1 . . . . A 32 LEU H . 34338 1 110 . 1 . 1 32 32 LEU C C 13 177.797 0.04 . 1 . . . . A 32 LEU C . 34338 1 111 . 1 . 1 32 32 LEU CA C 13 55.310 0.04 . 1 . . . . A 32 LEU CA . 34338 1 112 . 1 . 1 32 32 LEU CB C 13 41.194 0.04 . 1 . . . . A 32 LEU CB . 34338 1 113 . 1 . 1 32 32 LEU N N 15 122.287 0.15 . 1 . . . . A 32 LEU N . 34338 1 114 . 1 . 1 33 33 GLY H H 1 8.059 0.01 . 1 . . . . A 33 GLY H . 34338 1 115 . 1 . 1 33 33 GLY C C 13 174.110 0.04 . 1 . . . . A 33 GLY C . 34338 1 116 . 1 . 1 33 33 GLY CA C 13 45.368 0.04 . 1 . . . . A 33 GLY CA . 34338 1 117 . 1 . 1 33 33 GLY N N 15 108.034 0.15 . 1 . . . . A 33 GLY N . 34338 1 118 . 1 . 1 34 34 ASP H H 1 8.008 0.01 . 1 . . . . A 34 ASP H . 34338 1 119 . 1 . 1 34 34 ASP C C 13 176.556 0.04 . 1 . . . . A 34 ASP C . 34338 1 120 . 1 . 1 34 34 ASP CA C 13 54.102 0.04 . 1 . . . . A 34 ASP CA . 34338 1 121 . 1 . 1 34 34 ASP CB C 13 40.633 0.04 . 1 . . . . A 34 ASP CB . 34338 1 122 . 1 . 1 34 34 ASP N N 15 120.916 0.15 . 1 . . . . A 34 ASP N . 34338 1 123 . 1 . 1 35 35 LEU H H 1 7.959 0.01 . 1 . . . . A 35 LEU H . 34338 1 124 . 1 . 1 35 35 LEU C C 13 177.065 0.04 . 1 . . . . A 35 LEU C . 34338 1 125 . 1 . 1 35 35 LEU CA C 13 55.344 0.04 . 1 . . . . A 35 LEU CA . 34338 1 126 . 1 . 1 35 35 LEU CB C 13 41.201 0.04 . 1 . . . . A 35 LEU CB . 34338 1 127 . 1 . 1 35 35 LEU N N 15 122.219 0.15 . 1 . . . . A 35 LEU N . 34338 1 128 . 1 . 1 36 36 ASN H H 1 8.265 0.01 . 1 . . . . A 36 ASN H . 34338 1 129 . 1 . 1 36 36 ASN C C 13 175.441 0.04 . 1 . . . . A 36 ASN C . 34338 1 130 . 1 . 1 36 36 ASN CA C 13 52.979 0.04 . 1 . . . . A 36 ASN CA . 34338 1 131 . 1 . 1 36 36 ASN CB C 13 38.381 0.04 . 1 . . . . A 36 ASN CB . 34338 1 132 . 1 . 1 36 36 ASN N N 15 119.347 0.15 . 1 . . . . A 36 ASN N . 34338 1 133 . 1 . 1 37 37 VAL H H 1 7.938 0.01 . 1 . . . . A 37 VAL H . 34338 1 134 . 1 . 1 37 37 VAL C C 13 176.656 0.04 . 1 . . . . A 37 VAL C . 34338 1 135 . 1 . 1 37 37 VAL CA C 13 62.218 0.04 . 1 . . . . A 37 VAL CA . 34338 1 136 . 1 . 1 37 37 VAL CB C 13 31.506 0.04 . 1 . . . . A 37 VAL CB . 34338 1 137 . 1 . 1 37 37 VAL N N 15 119.961 0.15 . 1 . . . . A 37 VAL N . 34338 1 138 . 1 . 1 38 38 GLY H H 1 8.356 0.01 . 1 . . . . A 38 GLY H . 34338 1 139 . 1 . 1 38 38 GLY CA C 13 45.080 0.04 . 1 . . . . A 38 GLY CA . 34338 1 140 . 1 . 1 38 38 GLY N N 15 111.899 0.15 . 1 . . . . A 38 GLY N . 34338 1 141 . 1 . 1 39 39 GLY H H 1 8.148 0.01 . 1 . . . . A 39 GLY H . 34338 1 142 . 1 . 1 39 39 GLY CA C 13 45.117 0.04 . 1 . . . . A 39 GLY CA . 34338 1 143 . 1 . 1 39 39 GLY N N 15 109.262 0.15 . 1 . . . . A 39 GLY N . 34338 1 144 . 1 . 1 40 40 GLY H H 1 8.178 0.01 . 1 . . . . A 40 GLY H . 34338 1 145 . 1 . 1 40 40 GLY CA C 13 44.789 0.04 . 1 . . . . A 40 GLY CA . 34338 1 146 . 1 . 1 40 40 GLY N N 15 109.360 0.15 . 1 . . . . A 40 GLY N . 34338 1 147 . 1 . 1 41 41 ALA H H 1 7.989 0.01 . 1 . . . . A 41 ALA H . 34338 1 148 . 1 . 1 41 41 ALA C C 13 177.254 0.04 . 1 . . . . A 41 ALA C . 34338 1 149 . 1 . 1 41 41 ALA CA C 13 51.819 0.04 . 1 . . . . A 41 ALA CA . 34338 1 150 . 1 . 1 41 41 ALA CB C 13 18.712 0.04 . 1 . . . . A 41 ALA CB . 34338 1 151 . 1 . 1 41 41 ALA N N 15 123.965 0.15 . 1 . . . . A 41 ALA N . 34338 1 152 . 1 . 1 42 42 LEU H H 1 7.647 0.01 . 1 . . . . A 42 LEU H . 34338 1 153 . 1 . 1 42 42 LEU CA C 13 56.311 0.04 . 1 . . . . A 42 LEU CA . 34338 1 154 . 1 . 1 42 42 LEU CB C 13 42.487 0.04 . 1 . . . . A 42 LEU CB . 34338 1 155 . 1 . 1 42 42 LEU N N 15 127.872 0.15 . 1 . . . . A 42 LEU N . 34338 1 156 . 1 . 1 43 43 PRO C C 13 176.575 0.04 . 1 . . . . A 43 PRO C . 34338 1 157 . 1 . 1 43 43 PRO CA C 13 62.942 0.04 . 1 . . . . A 43 PRO CA . 34338 1 158 . 1 . 1 44 44 ASN H H 1 8.281 0.01 . 1 . . . . A 44 ASN H . 34338 1 159 . 1 . 1 44 44 ASN C C 13 174.837 0.04 . 1 . . . . A 44 ASN C . 34338 1 160 . 1 . 1 44 44 ASN CA C 13 52.942 0.04 . 1 . . . . A 44 ASN CA . 34338 1 161 . 1 . 1 44 44 ASN N N 15 118.494 0.15 . 1 . . . . A 44 ASN N . 34338 1 162 . 1 . 1 45 45 ALA H H 1 8.073 0.01 . 1 . . . . A 45 ALA H . 34338 1 163 . 1 . 1 45 45 ALA C C 13 177.235 0.04 . 1 . . . . A 45 ALA C . 34338 1 164 . 1 . 1 45 45 ALA CA C 13 52.256 0.04 . 1 . . . . A 45 ALA CA . 34338 1 165 . 1 . 1 45 45 ALA CB C 13 18.621 0.04 . 1 . . . . A 45 ALA CB . 34338 1 166 . 1 . 1 45 45 ALA N N 15 124.367 0.15 . 1 . . . . A 45 ALA N . 34338 1 167 . 1 . 1 46 46 ASP H H 1 8.211 0.01 . 1 . . . . A 46 ASP H . 34338 1 168 . 1 . 1 46 46 ASP C C 13 176.265 0.04 . 1 . . . . A 46 ASP C . 34338 1 169 . 1 . 1 46 46 ASP CA C 13 54.157 0.04 . 1 . . . . A 46 ASP CA . 34338 1 170 . 1 . 1 46 46 ASP CB C 13 40.642 0.04 . 1 . . . . A 46 ASP CB . 34338 1 171 . 1 . 1 46 46 ASP N N 15 119.872 0.15 . 1 . . . . A 46 ASP N . 34338 1 172 . 1 . 1 47 47 VAL H H 1 7.857 0.01 . 1 . . . . A 47 VAL H . 34338 1 173 . 1 . 1 47 47 VAL C C 13 175.806 0.04 . 1 . . . . A 47 VAL C . 34338 1 174 . 1 . 1 47 47 VAL CA C 13 61.642 0.04 . 1 . . . . A 47 VAL CA . 34338 1 175 . 1 . 1 47 47 VAL CB C 13 31.883 0.04 . 1 . . . . A 47 VAL CB . 34338 1 176 . 1 . 1 47 47 VAL N N 15 119.852 0.15 . 1 . . . . A 47 VAL N . 34338 1 177 . 1 . 1 48 48 SER H H 1 8.269 0.01 . 1 . . . . A 48 SER H . 34338 1 178 . 1 . 1 48 48 SER C C 13 174.600 0.04 . 1 . . . . A 48 SER C . 34338 1 179 . 1 . 1 48 48 SER CA C 13 57.721 0.04 . 1 . . . . A 48 SER CA . 34338 1 180 . 1 . 1 48 48 SER CB C 13 63.451 0.04 . 1 . . . . A 48 SER CB . 34338 1 181 . 1 . 1 48 48 SER N N 15 119.622 0.15 . 1 . . . . A 48 SER N . 34338 1 182 . 1 . 1 49 49 ILE H H 1 8.094 0.01 . 1 . . . . A 49 ILE H . 34338 1 183 . 1 . 1 49 49 ILE CA C 13 61.121 0.04 . 1 . . . . A 49 ILE CA . 34338 1 184 . 1 . 1 49 49 ILE CB C 13 37.875 0.04 . 1 . . . . A 49 ILE CB . 34338 1 185 . 1 . 1 49 49 ILE N N 15 122.858 0.15 . 1 . . . . A 49 ILE N . 34338 1 186 . 1 . 1 50 50 GLY H H 1 8.308 0.01 . 1 . . . . A 50 GLY H . 34338 1 187 . 1 . 1 50 50 GLY CA C 13 44.990 0.04 . 1 . . . . A 50 GLY CA . 34338 1 188 . 1 . 1 50 50 GLY N N 15 111.981 0.15 . 1 . . . . A 50 GLY N . 34338 1 189 . 1 . 1 52 52 ASP C C 13 175.703 0.04 . 1 . . . . A 52 ASP C . 34338 1 190 . 1 . 1 52 52 ASP CA C 13 54.037 0.04 . 1 . . . . A 52 ASP CA . 34338 1 191 . 1 . 1 52 52 ASP CB C 13 40.503 0.04 . 1 . . . . A 52 ASP CB . 34338 1 192 . 1 . 1 53 53 THR H H 1 7.816 0.01 . 1 . . . . A 53 THR H . 34338 1 193 . 1 . 1 53 53 THR C C 13 173.930 0.04 . 1 . . . . A 53 THR C . 34338 1 194 . 1 . 1 53 53 THR CA C 13 61.521 0.04 . 1 . . . . A 53 THR CA . 34338 1 195 . 1 . 1 53 53 THR CB C 13 70.456 0.04 . 1 . . . . A 53 THR CB . 34338 1 196 . 1 . 1 53 53 THR N N 15 114.743 0.15 . 1 . . . . A 53 THR N . 34338 1 197 . 1 . 1 54 54 THR H H 1 9.062 0.01 . 1 . . . . A 54 THR H . 34338 1 198 . 1 . 1 54 54 THR C C 13 172.446 0.04 . 1 . . . . A 54 THR C . 34338 1 199 . 1 . 1 54 54 THR CA C 13 59.979 0.04 . 1 . . . . A 54 THR CA . 34338 1 200 . 1 . 1 54 54 THR CB C 13 70.770 0.04 . 1 . . . . A 54 THR CB . 34338 1 201 . 1 . 1 54 54 THR N N 15 119.502 0.15 . 1 . . . . A 54 THR N . 34338 1 202 . 1 . 1 55 55 LEU H H 1 8.262 0.01 . 1 . . . . A 55 LEU H . 34338 1 203 . 1 . 1 55 55 LEU C C 13 176.188 0.04 . 1 . . . . A 55 LEU C . 34338 1 204 . 1 . 1 55 55 LEU CA C 13 53.840 0.04 . 1 . . . . A 55 LEU CA . 34338 1 205 . 1 . 1 55 55 LEU CB C 13 42.708 0.04 . 1 . . . . A 55 LEU CB . 34338 1 206 . 1 . 1 55 55 LEU N N 15 125.920 0.15 . 1 . . . . A 55 LEU N . 34338 1 207 . 1 . 1 56 56 THR H H 1 9.444 0.01 . 1 . . . . A 56 THR H . 34338 1 208 . 1 . 1 56 56 THR C C 13 171.836 0.04 . 1 . . . . A 56 THR C . 34338 1 209 . 1 . 1 56 56 THR CA C 13 59.534 0.04 . 1 . . . . A 56 THR CA . 34338 1 210 . 1 . 1 56 56 THR CB C 13 70.859 0.04 . 1 . . . . A 56 THR CB . 34338 1 211 . 1 . 1 56 56 THR N N 15 115.777 0.15 . 1 . . . . A 56 THR N . 34338 1 212 . 1 . 1 57 57 PHE H H 1 8.071 0.01 . 1 . . . . A 57 PHE H . 34338 1 213 . 1 . 1 57 57 PHE C C 13 173.650 0.04 . 1 . . . . A 57 PHE C . 34338 1 214 . 1 . 1 57 57 PHE CA C 13 54.655 0.04 . 1 . . . . A 57 PHE CA . 34338 1 215 . 1 . 1 57 57 PHE CB C 13 43.390 0.04 . 1 . . . . A 57 PHE CB . 34338 1 216 . 1 . 1 57 57 PHE N N 15 118.002 0.15 . 1 . . . . A 57 PHE N . 34338 1 217 . 1 . 1 58 58 ASP H H 1 8.441 0.01 . 1 . . . . A 58 ASP H . 34338 1 218 . 1 . 1 58 58 ASP C C 13 172.009 0.04 . 1 . . . . A 58 ASP C . 34338 1 219 . 1 . 1 58 58 ASP CA C 13 53.282 0.04 . 1 . . . . A 58 ASP CA . 34338 1 220 . 1 . 1 58 58 ASP CB C 13 44.434 0.04 . 1 . . . . A 58 ASP CB . 34338 1 221 . 1 . 1 58 58 ASP N N 15 119.468 0.15 . 1 . . . . A 58 ASP N . 34338 1 222 . 1 . 1 59 59 ILE H H 1 8.755 0.01 . 1 . . . . A 59 ILE H . 34338 1 223 . 1 . 1 59 59 ILE C C 13 171.631 0.04 . 1 . . . . A 59 ILE C . 34338 1 224 . 1 . 1 59 59 ILE CA C 13 56.106 0.04 . 1 . . . . A 59 ILE CA . 34338 1 225 . 1 . 1 59 59 ILE CB C 13 41.182 0.04 . 1 . . . . A 59 ILE CB . 34338 1 226 . 1 . 1 59 59 ILE N N 15 121.094 0.15 . 1 . . . . A 59 ILE N . 34338 1 227 . 1 . 1 60 60 ALA H H 1 8.906 0.01 . 1 . . . . A 60 ALA H . 34338 1 228 . 1 . 1 60 60 ALA C C 13 175.245 0.04 . 1 . . . . A 60 ALA C . 34338 1 229 . 1 . 1 60 60 ALA CA C 13 48.967 0.04 . 1 . . . . A 60 ALA CA . 34338 1 230 . 1 . 1 60 60 ALA CB C 13 22.402 0.04 . 1 . . . . A 60 ALA CB . 34338 1 231 . 1 . 1 60 60 ALA N N 15 129.109 0.15 . 1 . . . . A 60 ALA N . 34338 1 232 . 1 . 1 61 61 TYR H H 1 8.249 0.01 . 1 . . . . A 61 TYR H . 34338 1 233 . 1 . 1 61 61 TYR C C 13 174.866 0.04 . 1 . . . . A 61 TYR C . 34338 1 234 . 1 . 1 61 61 TYR CA C 13 55.396 0.04 . 1 . . . . A 61 TYR CA . 34338 1 235 . 1 . 1 61 61 TYR CB C 13 41.043 0.04 . 1 . . . . A 61 TYR CB . 34338 1 236 . 1 . 1 61 61 TYR N N 15 120.538 0.15 . 1 . . . . A 61 TYR N . 34338 1 237 . 1 . 1 62 62 PHE H H 1 8.043 0.01 . 1 . . . . A 62 PHE H . 34338 1 238 . 1 . 1 62 62 PHE C C 13 175.338 0.04 . 1 . . . . A 62 PHE C . 34338 1 239 . 1 . 1 62 62 PHE CA C 13 58.991 0.04 . 1 . . . . A 62 PHE CA . 34338 1 240 . 1 . 1 62 62 PHE CB C 13 36.475 0.04 . 1 . . . . A 62 PHE CB . 34338 1 241 . 1 . 1 62 62 PHE N N 15 128.454 0.15 . 1 . . . . A 62 PHE N . 34338 1 242 . 1 . 1 63 63 VAL H H 1 8.054 0.01 . 1 . . . . A 63 VAL H . 34338 1 243 . 1 . 1 63 63 VAL C C 13 175.691 0.04 . 1 . . . . A 63 VAL C . 34338 1 244 . 1 . 1 63 63 VAL CA C 13 61.817 0.04 . 1 . . . . A 63 VAL CA . 34338 1 245 . 1 . 1 63 63 VAL N N 15 122.305 0.15 . 1 . . . . A 63 VAL N . 34338 1 246 . 1 . 1 64 64 SER H H 1 8.337 0.01 . 1 . . . . A 64 SER H . 34338 1 247 . 1 . 1 64 64 SER C C 13 172.279 0.04 . 1 . . . . A 64 SER C . 34338 1 248 . 1 . 1 64 64 SER CA C 13 55.809 0.04 . 1 . . . . A 64 SER CA . 34338 1 249 . 1 . 1 64 64 SER CB C 13 65.633 0.04 . 1 . . . . A 64 SER CB . 34338 1 250 . 1 . 1 64 64 SER N N 15 116.422 0.15 . 1 . . . . A 64 SER N . 34338 1 251 . 1 . 1 65 65 SER H H 1 8.496 0.01 . 1 . . . . A 65 SER H . 34338 1 252 . 1 . 1 65 65 SER CA C 13 61.164 0.04 . 1 . . . . A 65 SER CA . 34338 1 253 . 1 . 1 65 65 SER CB C 13 62.838 0.04 . 1 . . . . A 65 SER CB . 34338 1 254 . 1 . 1 65 65 SER N N 15 112.104 0.15 . 1 . . . . A 65 SER N . 34338 1 255 . 1 . 1 66 66 ASN H H 1 7.533 0.01 . 1 . . . . A 66 ASN H . 34338 1 256 . 1 . 1 66 66 ASN C C 13 173.018 0.04 . 1 . . . . A 66 ASN C . 34338 1 257 . 1 . 1 66 66 ASN CA C 13 53.846 0.04 . 1 . . . . A 66 ASN CA . 34338 1 258 . 1 . 1 66 66 ASN N N 15 111.638 0.15 . 1 . . . . A 66 ASN N . 34338 1 259 . 1 . 1 67 67 ILE H H 1 7.304 0.01 . 1 . . . . A 67 ILE H . 34338 1 260 . 1 . 1 67 67 ILE C C 13 173.527 0.04 . 1 . . . . A 67 ILE C . 34338 1 261 . 1 . 1 67 67 ILE CA C 13 59.287 0.04 . 1 . . . . A 67 ILE CA . 34338 1 262 . 1 . 1 67 67 ILE CB C 13 38.044 0.04 . 1 . . . . A 67 ILE CB . 34338 1 263 . 1 . 1 67 67 ILE N N 15 119.491 0.15 . 1 . . . . A 67 ILE N . 34338 1 264 . 1 . 1 68 68 ALA H H 1 8.564 0.01 . 1 . . . . A 68 ALA H . 34338 1 265 . 1 . 1 68 68 ALA C C 13 176.021 0.04 . 1 . . . . A 68 ALA C . 34338 1 266 . 1 . 1 68 68 ALA CA C 13 48.508 0.04 . 1 . . . . A 68 ALA CA . 34338 1 267 . 1 . 1 68 68 ALA CB C 13 20.986 0.04 . 1 . . . . A 68 ALA CB . 34338 1 268 . 1 . 1 68 68 ALA N N 15 127.758 0.15 . 1 . . . . A 68 ALA N . 34338 1 269 . 1 . 1 69 69 VAL H H 1 8.350 0.01 . 1 . . . . A 69 VAL H . 34338 1 270 . 1 . 1 69 69 VAL C C 13 174.089 0.04 . 1 . . . . A 69 VAL C . 34338 1 271 . 1 . 1 69 69 VAL CA C 13 60.076 0.04 . 1 . . . . A 69 VAL CA . 34338 1 272 . 1 . 1 69 69 VAL CB C 13 32.365 0.04 . 1 . . . . A 69 VAL CB . 34338 1 273 . 1 . 1 69 69 VAL N N 15 119.746 0.15 . 1 . . . . A 69 VAL N . 34338 1 274 . 1 . 1 70 70 ASP H H 1 9.241 0.01 . 1 . . . . A 70 ASP H . 34338 1 275 . 1 . 1 70 70 ASP C C 13 172.630 0.04 . 1 . . . . A 70 ASP C . 34338 1 276 . 1 . 1 70 70 ASP CA C 13 51.530 0.04 . 1 . . . . A 70 ASP CA . 34338 1 277 . 1 . 1 70 70 ASP CB C 13 43.539 0.04 . 1 . . . . A 70 ASP CB . 34338 1 278 . 1 . 1 70 70 ASP N N 15 125.107 0.15 . 1 . . . . A 70 ASP N . 34338 1 279 . 1 . 1 71 71 PHE H H 1 9.474 0.01 . 1 . . . . A 71 PHE H . 34338 1 280 . 1 . 1 71 71 PHE C C 13 171.839 0.04 . 1 . . . . A 71 PHE C . 34338 1 281 . 1 . 1 71 71 PHE CA C 13 56.194 0.04 . 1 . . . . A 71 PHE CA . 34338 1 282 . 1 . 1 71 71 PHE CB C 13 41.272 0.04 . 1 . . . . A 71 PHE CB . 34338 1 283 . 1 . 1 71 71 PHE N N 15 127.180 0.15 . 1 . . . . A 71 PHE N . 34338 1 284 . 1 . 1 72 72 PHE H H 1 8.422 0.01 . 1 . . . . A 72 PHE H . 34338 1 285 . 1 . 1 72 72 PHE C C 13 172.848 0.04 . 1 . . . . A 72 PHE C . 34338 1 286 . 1 . 1 72 72 PHE CA C 13 54.825 0.04 . 1 . . . . A 72 PHE CA . 34338 1 287 . 1 . 1 72 72 PHE CB C 13 41.983 0.04 . 1 . . . . A 72 PHE CB . 34338 1 288 . 1 . 1 72 72 PHE N N 15 129.708 0.15 . 1 . . . . A 72 PHE N . 34338 1 289 . 1 . 1 73 73 VAL H H 1 8.365 0.01 . 1 . . . . A 73 VAL H . 34338 1 290 . 1 . 1 73 73 VAL C C 13 172.957 0.04 . 1 . . . . A 73 VAL C . 34338 1 291 . 1 . 1 73 73 VAL CA C 13 59.005 0.04 . 1 . . . . A 73 VAL CA . 34338 1 292 . 1 . 1 73 73 VAL CB C 13 34.834 0.04 . 1 . . . . A 73 VAL CB . 34338 1 293 . 1 . 1 73 73 VAL N N 15 122.146 0.15 . 1 . . . . A 73 VAL N . 34338 1 294 . 1 . 1 74 74 GLY H H 1 7.261 0.01 . 1 . . . . A 74 GLY H . 34338 1 295 . 1 . 1 74 74 GLY C C 13 171.677 0.04 . 1 . . . . A 74 GLY C . 34338 1 296 . 1 . 1 74 74 GLY CA C 13 43.699 0.04 . 1 . . . . A 74 GLY CA . 34338 1 297 . 1 . 1 74 74 GLY N N 15 107.107 0.15 . 1 . . . . A 74 GLY N . 34338 1 298 . 1 . 1 88 88 SER H H 1 7.811 0.01 . 1 . . . . A 88 SER H . 34338 1 299 . 1 . 1 88 88 SER CA C 13 59.509 0.04 . 1 . . . . A 88 SER CA . 34338 1 300 . 1 . 1 88 88 SER N N 15 125.129 0.15 . 1 . . . . A 88 SER N . 34338 1 301 . 1 . 1 100 100 PRO C C 13 174.741 0.04 . 1 . . . . A 100 PRO C . 34338 1 302 . 1 . 1 100 100 PRO CA C 13 61.706 0.04 . 1 . . . . A 100 PRO CA . 34338 1 303 . 1 . 1 101 101 ALA H H 1 8.380 0.01 . 1 . . . . A 101 ALA H . 34338 1 304 . 1 . 1 101 101 ALA C C 13 176.643 0.04 . 1 . . . . A 101 ALA C . 34338 1 305 . 1 . 1 101 101 ALA CA C 13 50.863 0.04 . 1 . . . . A 101 ALA CA . 34338 1 306 . 1 . 1 101 101 ALA CB C 13 21.172 0.04 . 1 . . . . A 101 ALA CB . 34338 1 307 . 1 . 1 101 101 ALA N N 15 121.372 0.15 . 1 . . . . A 101 ALA N . 34338 1 308 . 1 . 1 102 102 ILE H H 1 8.928 0.01 . 1 . . . . A 102 ILE H . 34338 1 309 . 1 . 1 102 102 ILE C C 13 175.940 0.04 . 1 . . . . A 102 ILE C . 34338 1 310 . 1 . 1 102 102 ILE CA C 13 60.076 0.04 . 1 . . . . A 102 ILE CA . 34338 1 311 . 1 . 1 102 102 ILE CB C 13 42.506 0.04 . 1 . . . . A 102 ILE CB . 34338 1 312 . 1 . 1 102 102 ILE N N 15 118.819 0.15 . 1 . . . . A 102 ILE N . 34338 1 313 . 1 . 1 103 103 LEU H H 1 9.128 0.01 . 1 . . . . A 103 LEU H . 34338 1 314 . 1 . 1 103 103 LEU C C 13 174.188 0.04 . 1 . . . . A 103 LEU C . 34338 1 315 . 1 . 1 103 103 LEU CA C 13 53.215 0.04 . 1 . . . . A 103 LEU CA . 34338 1 316 . 1 . 1 103 103 LEU CB C 13 44.260 0.04 . 1 . . . . A 103 LEU CB . 34338 1 317 . 1 . 1 103 103 LEU N N 15 136.057 0.15 . 1 . . . . A 103 LEU N . 34338 1 318 . 1 . 1 104 104 SER H H 1 9.658 0.01 . 1 . . . . A 104 SER H . 34338 1 319 . 1 . 1 104 104 SER C C 13 171.868 0.04 . 1 . . . . A 104 SER C . 34338 1 320 . 1 . 1 104 104 SER CA C 13 56.549 0.04 . 1 . . . . A 104 SER CA . 34338 1 321 . 1 . 1 104 104 SER CB C 13 66.810 0.04 . 1 . . . . A 104 SER CB . 34338 1 322 . 1 . 1 104 104 SER N N 15 118.788 0.15 . 1 . . . . A 104 SER N . 34338 1 323 . 1 . 1 105 105 LEU H H 1 8.733 0.01 . 1 . . . . A 105 LEU H . 34338 1 324 . 1 . 1 105 105 LEU C C 13 175.277 0.04 . 1 . . . . A 105 LEU C . 34338 1 325 . 1 . 1 105 105 LEU CA C 13 53.053 0.04 . 1 . . . . A 105 LEU CA . 34338 1 326 . 1 . 1 105 105 LEU CB C 13 43.932 0.04 . 1 . . . . A 105 LEU CB . 34338 1 327 . 1 . 1 105 105 LEU N N 15 121.201 0.15 . 1 . . . . A 105 LEU N . 34338 1 328 . 1 . 1 106 106 GLN H H 1 9.217 0.01 . 1 . . . . A 106 GLN H . 34338 1 329 . 1 . 1 106 106 GLN C C 13 174.803 0.04 . 1 . . . . A 106 GLN C . 34338 1 330 . 1 . 1 106 106 GLN CA C 13 52.426 0.04 . 1 . . . . A 106 GLN CA . 34338 1 331 . 1 . 1 106 106 GLN N N 15 118.135 0.15 . 1 . . . . A 106 GLN N . 34338 1 332 . 1 . 1 107 107 TYR H H 1 9.031 0.01 . 1 . . . . A 107 TYR H . 34338 1 333 . 1 . 1 107 107 TYR C C 13 173.688 0.04 . 1 . . . . A 107 TYR C . 34338 1 334 . 1 . 1 107 107 TYR CA C 13 56.625 0.04 . 1 . . . . A 107 TYR CA . 34338 1 335 . 1 . 1 107 107 TYR CB C 13 40.718 0.04 . 1 . . . . A 107 TYR CB . 34338 1 336 . 1 . 1 107 107 TYR N N 15 122.479 0.15 . 1 . . . . A 107 TYR N . 34338 1 337 . 1 . 1 108 108 HIS H H 1 8.894 0.01 . 1 . . . . A 108 HIS H . 34338 1 338 . 1 . 1 108 108 HIS C C 13 175.045 0.04 . 1 . . . . A 108 HIS C . 34338 1 339 . 1 . 1 108 108 HIS CA C 13 54.573 0.04 . 1 . . . . A 108 HIS CA . 34338 1 340 . 1 . 1 108 108 HIS CB C 13 31.843 0.04 . 1 . . . . A 108 HIS CB . 34338 1 341 . 1 . 1 108 108 HIS N N 15 129.321 0.15 . 1 . . . . A 108 HIS N . 34338 1 342 . 1 . 1 109 109 TYR H H 1 8.446 0.01 . 1 . . . . A 109 TYR H . 34338 1 343 . 1 . 1 109 109 TYR C C 13 176.030 0.04 . 1 . . . . A 109 TYR C . 34338 1 344 . 1 . 1 109 109 TYR CA C 13 58.688 0.04 . 1 . . . . A 109 TYR CA . 34338 1 345 . 1 . 1 109 109 TYR CB C 13 39.244 0.04 . 1 . . . . A 109 TYR CB . 34338 1 346 . 1 . 1 109 109 TYR N N 15 124.062 0.15 . 1 . . . . A 109 TYR N . 34338 1 347 . 1 . 1 110 110 ASP H H 1 8.115 0.01 . 1 . . . . A 110 ASP H . 34338 1 348 . 1 . 1 110 110 ASP C C 13 175.951 0.04 . 1 . . . . A 110 ASP C . 34338 1 349 . 1 . 1 110 110 ASP CA C 13 54.330 0.04 . 1 . . . . A 110 ASP CA . 34338 1 350 . 1 . 1 110 110 ASP CB C 13 40.467 0.04 . 1 . . . . A 110 ASP CB . 34338 1 351 . 1 . 1 110 110 ASP N N 15 120.927 0.15 . 1 . . . . A 110 ASP N . 34338 1 352 . 1 . 1 111 111 SER H H 1 7.482 0.01 . 1 . . . . A 111 SER H . 34338 1 353 . 1 . 1 111 111 SER C C 13 174.842 0.04 . 1 . . . . A 111 SER C . 34338 1 354 . 1 . 1 111 111 SER CA C 13 57.956 0.04 . 1 . . . . A 111 SER CA . 34338 1 355 . 1 . 1 111 111 SER CB C 13 63.801 0.04 . 1 . . . . A 111 SER CB . 34338 1 356 . 1 . 1 111 111 SER N N 15 113.997 0.15 . 1 . . . . A 111 SER N . 34338 1 357 . 1 . 1 112 112 PHE H H 1 8.520 0.01 . 1 . . . . A 112 PHE H . 34338 1 358 . 1 . 1 112 112 PHE C C 13 174.837 0.04 . 1 . . . . A 112 PHE C . 34338 1 359 . 1 . 1 112 112 PHE CA C 13 56.173 0.04 . 1 . . . . A 112 PHE CA . 34338 1 360 . 1 . 1 112 112 PHE CB C 13 39.318 0.04 . 1 . . . . A 112 PHE CB . 34338 1 361 . 1 . 1 112 112 PHE N N 15 121.816 0.15 . 1 . . . . A 112 PHE N . 34338 1 362 . 1 . 1 113 113 GLU H H 1 8.548 0.01 . 1 . . . . A 113 GLU H . 34338 1 363 . 1 . 1 113 113 GLU C C 13 175.692 0.04 . 1 . . . . A 113 GLU C . 34338 1 364 . 1 . 1 113 113 GLU CA C 13 57.560 0.04 . 1 . . . . A 113 GLU CA . 34338 1 365 . 1 . 1 113 113 GLU CB C 13 27.269 0.04 . 1 . . . . A 113 GLU CB . 34338 1 366 . 1 . 1 113 113 GLU N N 15 122.092 0.15 . 1 . . . . A 113 GLU N . 34338 1 367 . 1 . 1 114 114 ARG C C 13 173.580 0.04 . 1 . . . . A 114 ARG C . 34338 1 368 . 1 . 1 114 114 ARG CA C 13 57.807 0.04 . 1 . . . . A 114 ARG CA . 34338 1 369 . 1 . 1 115 115 LEU H H 1 7.796 0.01 . 1 . . . . A 115 LEU H . 34338 1 370 . 1 . 1 115 115 LEU C C 13 176.065 0.04 . 1 . . . . A 115 LEU C . 34338 1 371 . 1 . 1 115 115 LEU CA C 13 53.824 0.04 . 1 . . . . A 115 LEU CA . 34338 1 372 . 1 . 1 115 115 LEU CB C 13 43.148 0.04 . 1 . . . . A 115 LEU CB . 34338 1 373 . 1 . 1 115 115 LEU N N 15 120.748 0.15 . 1 . . . . A 115 LEU N . 34338 1 374 . 1 . 1 116 116 TYR H H 1 9.283 0.01 . 1 . . . . A 116 TYR H . 34338 1 375 . 1 . 1 116 116 TYR C C 13 175.836 0.04 . 1 . . . . A 116 TYR C . 34338 1 376 . 1 . 1 116 116 TYR CA C 13 55.432 0.04 . 1 . . . . A 116 TYR CA . 34338 1 377 . 1 . 1 116 116 TYR CB C 13 38.962 0.04 . 1 . . . . A 116 TYR CB . 34338 1 378 . 1 . 1 116 116 TYR N N 15 122.883 0.15 . 1 . . . . A 116 TYR N . 34338 1 379 . 1 . 1 117 117 PRO C C 13 175.828 0.04 . 1 . . . . A 117 PRO C . 34338 1 380 . 1 . 1 118 118 TYR H H 1 9.190 0.01 . 1 . . . . A 118 TYR H . 34338 1 381 . 1 . 1 118 118 TYR C C 13 172.424 0.04 . 1 . . . . A 118 TYR C . 34338 1 382 . 1 . 1 118 118 TYR CA C 13 56.177 0.04 . 1 . . . . A 118 TYR CA . 34338 1 383 . 1 . 1 118 118 TYR CB C 13 41.325 0.04 . 1 . . . . A 118 TYR CB . 34338 1 384 . 1 . 1 118 118 TYR N N 15 120.309 0.15 . 1 . . . . A 118 TYR N . 34338 1 385 . 1 . 1 119 119 VAL H H 1 8.570 0.01 . 1 . . . . A 119 VAL H . 34338 1 386 . 1 . 1 119 119 VAL C C 13 174.807 0.04 . 1 . . . . A 119 VAL C . 34338 1 387 . 1 . 1 119 119 VAL CA C 13 58.040 0.04 . 1 . . . . A 119 VAL CA . 34338 1 388 . 1 . 1 119 119 VAL CB C 13 35.820 0.04 . 1 . . . . A 119 VAL CB . 34338 1 389 . 1 . 1 119 119 VAL N N 15 113.083 0.15 . 1 . . . . A 119 VAL N . 34338 1 390 . 1 . 1 120 120 GLY H H 1 8.844 0.01 . 1 . . . . A 120 GLY H . 34338 1 391 . 1 . 1 120 120 GLY C C 13 172.033 0.04 . 1 . . . . A 120 GLY C . 34338 1 392 . 1 . 1 120 120 GLY CA C 13 46.180 0.04 . 1 . . . . A 120 GLY CA . 34338 1 393 . 1 . 1 120 120 GLY N N 15 108.795 0.15 . 1 . . . . A 120 GLY N . 34338 1 394 . 1 . 1 121 121 VAL H H 1 8.542 0.01 . 1 . . . . A 121 VAL H . 34338 1 395 . 1 . 1 121 121 VAL C C 13 173.790 0.04 . 1 . . . . A 121 VAL C . 34338 1 396 . 1 . 1 121 121 VAL CA C 13 59.511 0.04 . 1 . . . . A 121 VAL CA . 34338 1 397 . 1 . 1 121 121 VAL CB C 13 34.687 0.04 . 1 . . . . A 121 VAL CB . 34338 1 398 . 1 . 1 121 121 VAL N N 15 116.438 0.15 . 1 . . . . A 121 VAL N . 34338 1 399 . 1 . 1 122 122 GLY H H 1 8.665 0.01 . 1 . . . . A 122 GLY H . 34338 1 400 . 1 . 1 122 122 GLY C C 13 170.719 0.04 . 1 . . . . A 122 GLY C . 34338 1 401 . 1 . 1 122 122 GLY CA C 13 45.726 0.04 . 1 . . . . A 122 GLY CA . 34338 1 402 . 1 . 1 122 122 GLY N N 15 113.419 0.15 . 1 . . . . A 122 GLY N . 34338 1 403 . 1 . 1 123 123 VAL H H 1 8.789 0.01 . 1 . . . . A 123 VAL H . 34338 1 404 . 1 . 1 123 123 VAL C C 13 173.937 0.04 . 1 . . . . A 123 VAL C . 34338 1 405 . 1 . 1 123 123 VAL CA C 13 58.464 0.04 . 1 . . . . A 123 VAL CA . 34338 1 406 . 1 . 1 123 123 VAL CB C 13 34.973 0.04 . 1 . . . . A 123 VAL CB . 34338 1 407 . 1 . 1 123 123 VAL N N 15 116.303 0.15 . 1 . . . . A 123 VAL N . 34338 1 408 . 1 . 1 124 124 GLY H H 1 9.705 0.01 . 1 . . . . A 124 GLY H . 34338 1 409 . 1 . 1 124 124 GLY C C 13 171.311 0.04 . 1 . . . . A 124 GLY C . 34338 1 410 . 1 . 1 124 124 GLY CA C 13 44.234 0.04 . 1 . . . . A 124 GLY CA . 34338 1 411 . 1 . 1 124 124 GLY N N 15 110.360 0.15 . 1 . . . . A 124 GLY N . 34338 1 412 . 1 . 1 125 125 ARG H H 1 8.836 0.01 . 1 . . . . A 125 ARG H . 34338 1 413 . 1 . 1 125 125 ARG CA C 13 53.940 0.04 . 1 . . . . A 125 ARG CA . 34338 1 414 . 1 . 1 125 125 ARG N N 15 118.137 0.15 . 1 . . . . A 125 ARG N . 34338 1 415 . 1 . 1 135 135 ALA H H 1 8.142 0.01 . 1 . . . . A 135 ALA H . 34338 1 416 . 1 . 1 135 135 ALA C C 13 177.644 0.04 . 1 . . . . A 135 ALA C . 34338 1 417 . 1 . 1 135 135 ALA CA C 13 52.263 0.04 . 1 . . . . A 135 ALA CA . 34338 1 418 . 1 . 1 135 135 ALA CB C 13 18.852 0.04 . 1 . . . . A 135 ALA CB . 34338 1 419 . 1 . 1 135 135 ALA N N 15 130.030 0.15 . 1 . . . . A 135 ALA N . 34338 1 420 . 1 . 1 136 136 LEU H H 1 8.328 0.01 . 1 . . . . A 136 LEU H . 34338 1 421 . 1 . 1 136 136 LEU CA C 13 54.064 0.04 . 1 . . . . A 136 LEU CA . 34338 1 422 . 1 . 1 136 136 LEU N N 15 119.396 0.15 . 1 . . . . A 136 LEU N . 34338 1 423 . 1 . 1 146 146 ALA H H 1 9.096 0.01 . 1 . . . . A 146 ALA H . 34338 1 424 . 1 . 1 146 146 ALA CA C 13 49.257 0.04 . 1 . . . . A 146 ALA CA . 34338 1 425 . 1 . 1 146 146 ALA CB C 13 20.541 0.04 . 1 . . . . A 146 ALA CB . 34338 1 426 . 1 . 1 146 146 ALA N N 15 125.313 0.15 . 1 . . . . A 146 ALA N . 34338 1 427 . 1 . 1 147 147 PRO C C 13 172.610 0.04 . 1 . . . . A 147 PRO C . 34338 1 428 . 1 . 1 147 147 PRO CA C 13 62.132 0.04 . 1 . . . . A 147 PRO CA . 34338 1 429 . 1 . 1 147 147 PRO CB C 13 31.391 0.04 . 1 . . . . A 147 PRO CB . 34338 1 430 . 1 . 1 148 148 ALA H H 1 7.549 0.01 . 1 . . . . A 148 ALA H . 34338 1 431 . 1 . 1 148 148 ALA C C 13 175.742 0.04 . 1 . . . . A 148 ALA C . 34338 1 432 . 1 . 1 148 148 ALA CA C 13 49.369 0.04 . 1 . . . . A 148 ALA CA . 34338 1 433 . 1 . 1 148 148 ALA CB C 13 22.968 0.04 . 1 . . . . A 148 ALA CB . 34338 1 434 . 1 . 1 148 148 ALA N N 15 119.074 0.15 . 1 . . . . A 148 ALA N . 34338 1 435 . 1 . 1 149 149 PHE H H 1 8.917 0.01 . 1 . . . . A 149 PHE H . 34338 1 436 . 1 . 1 149 149 PHE C C 13 176.047 0.04 . 1 . . . . A 149 PHE C . 34338 1 437 . 1 . 1 149 149 PHE CA C 13 55.835 0.04 . 1 . . . . A 149 PHE CA . 34338 1 438 . 1 . 1 149 149 PHE CB C 13 43.315 0.04 . 1 . . . . A 149 PHE CB . 34338 1 439 . 1 . 1 149 149 PHE N N 15 120.339 0.15 . 1 . . . . A 149 PHE N . 34338 1 440 . 1 . 1 150 150 GLN H H 1 8.752 0.01 . 1 . . . . A 150 GLN H . 34338 1 441 . 1 . 1 150 150 GLN C C 13 173.661 0.04 . 1 . . . . A 150 GLN C . 34338 1 442 . 1 . 1 150 150 GLN CA C 13 54.395 0.04 . 1 . . . . A 150 GLN CA . 34338 1 443 . 1 . 1 150 150 GLN CB C 13 32.043 0.04 . 1 . . . . A 150 GLN CB . 34338 1 444 . 1 . 1 150 150 GLN N N 15 125.703 0.15 . 1 . . . . A 150 GLN N . 34338 1 445 . 1 . 1 151 151 VAL H H 1 8.542 0.01 . 1 . . . . A 151 VAL H . 34338 1 446 . 1 . 1 151 151 VAL C C 13 173.047 0.04 . 1 . . . . A 151 VAL C . 34338 1 447 . 1 . 1 151 151 VAL CA C 13 60.235 0.04 . 1 . . . . A 151 VAL CA . 34338 1 448 . 1 . 1 151 151 VAL CB C 13 34.406 0.04 . 1 . . . . A 151 VAL CB . 34338 1 449 . 1 . 1 151 151 VAL N N 15 122.981 0.15 . 1 . . . . A 151 VAL N . 34338 1 450 . 1 . 1 152 152 GLY H H 1 8.686 0.01 . 1 . . . . A 152 GLY H . 34338 1 451 . 1 . 1 152 152 GLY C C 13 170.567 0.04 . 1 . . . . A 152 GLY C . 34338 1 452 . 1 . 1 152 152 GLY CA C 13 44.212 0.04 . 1 . . . . A 152 GLY CA . 34338 1 453 . 1 . 1 152 152 GLY N N 15 112.681 0.15 . 1 . . . . A 152 GLY N . 34338 1 454 . 1 . 1 153 153 LEU H H 1 9.076 0.01 . 1 . . . . A 153 LEU H . 34338 1 455 . 1 . 1 153 153 LEU C C 13 174.694 0.04 . 1 . . . . A 153 LEU C . 34338 1 456 . 1 . 1 153 153 LEU CA C 13 54.523 0.04 . 1 . . . . A 153 LEU CA . 34338 1 457 . 1 . 1 153 153 LEU CB C 13 45.739 0.04 . 1 . . . . A 153 LEU CB . 34338 1 458 . 1 . 1 153 153 LEU N N 15 119.019 0.15 . 1 . . . . A 153 LEU N . 34338 1 459 . 1 . 1 154 154 ARG H H 1 7.733 0.01 . 1 . . . . A 154 ARG H . 34338 1 460 . 1 . 1 154 154 ARG C C 13 175.335 0.04 . 1 . . . . A 154 ARG C . 34338 1 461 . 1 . 1 154 154 ARG CA C 13 53.764 0.04 . 1 . . . . A 154 ARG CA . 34338 1 462 . 1 . 1 154 154 ARG CB C 13 33.711 0.04 . 1 . . . . A 154 ARG CB . 34338 1 463 . 1 . 1 154 154 ARG N N 15 121.516 0.15 . 1 . . . . A 154 ARG N . 34338 1 464 . 1 . 1 155 155 TYR H H 1 8.792 0.01 . 1 . . . . A 155 TYR H . 34338 1 465 . 1 . 1 155 155 TYR C C 13 175.348 0.04 . 1 . . . . A 155 TYR C . 34338 1 466 . 1 . 1 155 155 TYR CA C 13 55.564 0.04 . 1 . . . . A 155 TYR CA . 34338 1 467 . 1 . 1 155 155 TYR CB C 13 42.298 0.04 . 1 . . . . A 155 TYR CB . 34338 1 468 . 1 . 1 155 155 TYR N N 15 121.681 0.15 . 1 . . . . A 155 TYR N . 34338 1 469 . 1 . 1 156 156 ASP H H 1 8.605 0.01 . 1 . . . . A 156 ASP H . 34338 1 470 . 1 . 1 156 156 ASP C C 13 175.196 0.04 . 1 . . . . A 156 ASP C . 34338 1 471 . 1 . 1 156 156 ASP CA C 13 54.903 0.04 . 1 . . . . A 156 ASP CA . 34338 1 472 . 1 . 1 156 156 ASP CB C 13 41.243 0.04 . 1 . . . . A 156 ASP CB . 34338 1 473 . 1 . 1 156 156 ASP N N 15 128.072 0.15 . 1 . . . . A 156 ASP N . 34338 1 474 . 1 . 1 157 157 LEU H H 1 8.541 0.01 . 1 . . . . A 157 LEU H . 34338 1 475 . 1 . 1 157 157 LEU C C 13 178.125 0.04 . 1 . . . . A 157 LEU C . 34338 1 476 . 1 . 1 157 157 LEU CA C 13 55.074 0.04 . 1 . . . . A 157 LEU CA . 34338 1 477 . 1 . 1 157 157 LEU CB C 13 41.815 0.04 . 1 . . . . A 157 LEU CB . 34338 1 478 . 1 . 1 157 157 LEU N N 15 127.843 0.15 . 1 . . . . A 157 LEU N . 34338 1 479 . 1 . 1 158 158 GLY H H 1 8.498 0.01 . 1 . . . . A 158 GLY H . 34338 1 480 . 1 . 1 158 158 GLY C C 13 173.571 0.04 . 1 . . . . A 158 GLY C . 34338 1 481 . 1 . 1 158 158 GLY CA C 13 44.165 0.04 . 1 . . . . A 158 GLY CA . 34338 1 482 . 1 . 1 158 158 GLY N N 15 109.338 0.15 . 1 . . . . A 158 GLY N . 34338 1 483 . 1 . 1 159 159 ASN CA C 13 53.723 0.04 . 1 . . . . A 159 ASN CA . 34338 1 484 . 1 . 1 159 159 ASN CB C 13 37.512 0.04 . 1 . . . . A 159 ASN CB . 34338 1 485 . 1 . 1 160 160 SER H H 1 8.376 0.01 . 1 . . . . A 160 SER H . 34338 1 486 . 1 . 1 160 160 SER C C 13 171.481 0.04 . 1 . . . . A 160 SER C . 34338 1 487 . 1 . 1 160 160 SER CA C 13 58.990 0.04 . 1 . . . . A 160 SER CA . 34338 1 488 . 1 . 1 160 160 SER N N 15 108.226 0.15 . 1 . . . . A 160 SER N . 34338 1 489 . 1 . 1 161 161 TRP H H 1 7.643 0.01 . 1 . . . . A 161 TRP H . 34338 1 490 . 1 . 1 161 161 TRP C C 13 177.074 0.04 . 1 . . . . A 161 TRP C . 34338 1 491 . 1 . 1 161 161 TRP CA C 13 56.140 0.04 . 1 . . . . A 161 TRP CA . 34338 1 492 . 1 . 1 161 161 TRP CB C 13 31.587 0.04 . 1 . . . . A 161 TRP CB . 34338 1 493 . 1 . 1 161 161 TRP N N 15 117.900 0.15 . 1 . . . . A 161 TRP N . 34338 1 494 . 1 . 1 162 162 MET H H 1 9.650 0.01 . 1 . . . . A 162 MET H . 34338 1 495 . 1 . 1 162 162 MET C C 13 176.120 0.04 . 1 . . . . A 162 MET C . 34338 1 496 . 1 . 1 162 162 MET CA C 13 53.698 0.04 . 1 . . . . A 162 MET CA . 34338 1 497 . 1 . 1 162 162 MET CB C 13 36.620 0.04 . 1 . . . . A 162 MET CB . 34338 1 498 . 1 . 1 162 162 MET N N 15 117.737 0.15 . 1 . . . . A 162 MET N . 34338 1 499 . 1 . 1 163 163 LEU H H 1 9.026 0.01 . 1 . . . . A 163 LEU H . 34338 1 500 . 1 . 1 163 163 LEU C C 13 176.035 0.04 . 1 . . . . A 163 LEU C . 34338 1 501 . 1 . 1 163 163 LEU CA C 13 54.133 0.04 . 1 . . . . A 163 LEU CA . 34338 1 502 . 1 . 1 163 163 LEU CB C 13 43.547 0.04 . 1 . . . . A 163 LEU CB . 34338 1 503 . 1 . 1 163 163 LEU N N 15 122.073 0.15 . 1 . . . . A 163 LEU N . 34338 1 504 . 1 . 1 164 164 ASN H H 1 9.107 0.01 . 1 . . . . A 164 ASN H . 34338 1 505 . 1 . 1 164 164 ASN C C 13 173.298 0.04 . 1 . . . . A 164 ASN C . 34338 1 506 . 1 . 1 164 164 ASN CA C 13 54.036 0.04 . 1 . . . . A 164 ASN CA . 34338 1 507 . 1 . 1 164 164 ASN CB C 13 43.887 0.04 . 1 . . . . A 164 ASN CB . 34338 1 508 . 1 . 1 164 164 ASN N N 15 122.761 0.15 . 1 . . . . A 164 ASN N . 34338 1 509 . 1 . 1 165 165 SER H H 1 8.486 0.01 . 1 . . . . A 165 SER H . 34338 1 510 . 1 . 1 165 165 SER C C 13 172.992 0.04 . 1 . . . . A 165 SER C . 34338 1 511 . 1 . 1 165 165 SER CA C 13 56.639 0.04 . 1 . . . . A 165 SER CA . 34338 1 512 . 1 . 1 165 165 SER CB C 13 66.090 0.04 . 1 . . . . A 165 SER CB . 34338 1 513 . 1 . 1 165 165 SER N N 15 119.807 0.15 . 1 . . . . A 165 SER N . 34338 1 514 . 1 . 1 166 166 ASP H H 1 9.001 0.01 . 1 . . . . A 166 ASP H . 34338 1 515 . 1 . 1 166 166 ASP C C 13 172.270 0.04 . 1 . . . . A 166 ASP C . 34338 1 516 . 1 . 1 166 166 ASP CA C 13 54.604 0.04 . 1 . . . . A 166 ASP CA . 34338 1 517 . 1 . 1 166 166 ASP CB C 13 45.832 0.04 . 1 . . . . A 166 ASP CB . 34338 1 518 . 1 . 1 166 166 ASP N N 15 122.151 0.15 . 1 . . . . A 166 ASP N . 34338 1 519 . 1 . 1 167 167 VAL H H 1 9.276 0.01 . 1 . . . . A 167 VAL H . 34338 1 520 . 1 . 1 167 167 VAL C C 13 174.052 0.04 . 1 . . . . A 167 VAL C . 34338 1 521 . 1 . 1 167 167 VAL CA C 13 59.324 0.04 . 1 . . . . A 167 VAL CA . 34338 1 522 . 1 . 1 167 167 VAL CB C 13 34.182 0.04 . 1 . . . . A 167 VAL CB . 34338 1 523 . 1 . 1 167 167 VAL N N 15 119.894 0.15 . 1 . . . . A 167 VAL N . 34338 1 524 . 1 . 1 168 168 ARG H H 1 8.786 0.01 . 1 . . . . A 168 ARG H . 34338 1 525 . 1 . 1 168 168 ARG C C 13 174.880 0.04 . 1 . . . . A 168 ARG C . 34338 1 526 . 1 . 1 168 168 ARG CA C 13 52.945 0.04 . 1 . . . . A 168 ARG CA . 34338 1 527 . 1 . 1 168 168 ARG CB C 13 32.816 0.04 . 1 . . . . A 168 ARG CB . 34338 1 528 . 1 . 1 168 168 ARG N N 15 124.247 0.15 . 1 . . . . A 168 ARG N . 34338 1 529 . 1 . 1 169 169 TYR H H 1 8.818 0.01 . 1 . . . . A 169 TYR H . 34338 1 530 . 1 . 1 169 169 TYR CA C 13 54.808 0.04 . 1 . . . . A 169 TYR CA . 34338 1 531 . 1 . 1 169 169 TYR CB C 13 42.462 0.04 . 1 . . . . A 169 TYR CB . 34338 1 532 . 1 . 1 169 169 TYR N N 15 123.957 0.15 . 1 . . . . A 169 TYR N . 34338 1 533 . 1 . 1 185 185 VAL H H 1 7.555 0.01 . 1 . . . . A 185 VAL H . 34338 1 534 . 1 . 1 185 185 VAL CA C 13 63.091 0.04 . 1 . . . . A 185 VAL CA . 34338 1 535 . 1 . 1 185 185 VAL CB C 13 32.490 0.04 . 1 . . . . A 185 VAL CB . 34338 1 536 . 1 . 1 185 185 VAL N N 15 124.876 0.15 . 1 . . . . A 185 VAL N . 34338 1 537 . 1 . 1 186 186 SER H H 1 7.670 0.01 . 1 . . . . A 186 SER H . 34338 1 538 . 1 . 1 186 186 SER CA C 13 59.493 0.04 . 1 . . . . A 186 SER CA . 34338 1 539 . 1 . 1 186 186 SER N N 15 121.190 0.15 . 1 . . . . A 186 SER N . 34338 1 540 . 1 . 1 193 193 PRO C C 13 175.198 0.04 . 1 . . . . A 193 PRO C . 34338 1 541 . 1 . 1 193 193 PRO CA C 13 61.970 0.04 . 1 . . . . A 193 PRO CA . 34338 1 542 . 1 . 1 194 194 PHE H H 1 8.978 0.01 . 1 . . . . A 194 PHE H . 34338 1 543 . 1 . 1 194 194 PHE C C 13 175.622 0.04 . 1 . . . . A 194 PHE C . 34338 1 544 . 1 . 1 194 194 PHE CA C 13 55.670 0.04 . 1 . . . . A 194 PHE CA . 34338 1 545 . 1 . 1 194 194 PHE CB C 13 41.786 0.04 . 1 . . . . A 194 PHE CB . 34338 1 546 . 1 . 1 194 194 PHE N N 15 119.394 0.15 . 1 . . . . A 194 PHE N . 34338 1 547 . 1 . 1 195 195 ILE H H 1 9.496 0.01 . 1 . . . . A 195 ILE H . 34338 1 548 . 1 . 1 195 195 ILE C C 13 176.146 0.04 . 1 . . . . A 195 ILE C . 34338 1 549 . 1 . 1 195 195 ILE CA C 13 59.983 0.04 . 1 . . . . A 195 ILE CA . 34338 1 550 . 1 . 1 195 195 ILE CB C 13 39.159 0.04 . 1 . . . . A 195 ILE CB . 34338 1 551 . 1 . 1 195 195 ILE N N 15 120.556 0.15 . 1 . . . . A 195 ILE N . 34338 1 552 . 1 . 1 196 196 LEU H H 1 9.511 0.01 . 1 . . . . A 196 LEU H . 34338 1 553 . 1 . 1 196 196 LEU C C 13 175.291 0.04 . 1 . . . . A 196 LEU C . 34338 1 554 . 1 . 1 196 196 LEU CA C 13 54.233 0.04 . 1 . . . . A 196 LEU CA . 34338 1 555 . 1 . 1 196 196 LEU CB C 13 43.189 0.04 . 1 . . . . A 196 LEU CB . 34338 1 556 . 1 . 1 196 196 LEU N N 15 134.158 0.15 . 1 . . . . A 196 LEU N . 34338 1 557 . 1 . 1 197 197 SER H H 1 9.249 0.01 . 1 . . . . A 197 SER H . 34338 1 558 . 1 . 1 197 197 SER C C 13 172.035 0.04 . 1 . . . . A 197 SER C . 34338 1 559 . 1 . 1 197 197 SER CA C 13 58.520 0.04 . 1 . . . . A 197 SER CA . 34338 1 560 . 1 . 1 197 197 SER CB C 13 64.864 0.04 . 1 . . . . A 197 SER CB . 34338 1 561 . 1 . 1 197 197 SER N N 15 122.992 0.15 . 1 . . . . A 197 SER N . 34338 1 562 . 1 . 1 198 198 LEU H H 1 8.775 0.01 . 1 . . . . A 198 LEU H . 34338 1 563 . 1 . 1 198 198 LEU C C 13 176.136 0.04 . 1 . . . . A 198 LEU C . 34338 1 564 . 1 . 1 198 198 LEU CA C 13 53.572 0.04 . 1 . . . . A 198 LEU CA . 34338 1 565 . 1 . 1 198 198 LEU CB C 13 46.010 0.04 . 1 . . . . A 198 LEU CB . 34338 1 566 . 1 . 1 198 198 LEU N N 15 125.728 0.15 . 1 . . . . A 198 LEU N . 34338 1 567 . 1 . 1 199 199 GLY H H 1 9.059 0.01 . 1 . . . . A 199 GLY H . 34338 1 568 . 1 . 1 199 199 GLY C C 13 172.113 0.04 . 1 . . . . A 199 GLY C . 34338 1 569 . 1 . 1 199 199 GLY CA C 13 47.404 0.04 . 1 . . . . A 199 GLY CA . 34338 1 570 . 1 . 1 199 199 GLY N N 15 112.985 0.15 . 1 . . . . A 199 GLY N . 34338 1 571 . 1 . 1 200 200 ALA H H 1 8.809 0.01 . 1 . . . . A 200 ALA H . 34338 1 572 . 1 . 1 200 200 ALA C C 13 175.286 0.04 . 1 . . . . A 200 ALA C . 34338 1 573 . 1 . 1 200 200 ALA CA C 13 50.360 0.04 . 1 . . . . A 200 ALA CA . 34338 1 574 . 1 . 1 200 200 ALA CB C 13 23.166 0.04 . 1 . . . . A 200 ALA CB . 34338 1 575 . 1 . 1 200 200 ALA N N 15 124.761 0.15 . 1 . . . . A 200 ALA N . 34338 1 576 . 1 . 1 201 201 SER H H 1 9.232 0.01 . 1 . . . . A 201 SER H . 34338 1 577 . 1 . 1 201 201 SER C C 13 171.710 0.04 . 1 . . . . A 201 SER C . 34338 1 578 . 1 . 1 201 201 SER CA C 13 57.643 0.04 . 1 . . . . A 201 SER CA . 34338 1 579 . 1 . 1 201 201 SER CB C 13 65.686 0.04 . 1 . . . . A 201 SER CB . 34338 1 580 . 1 . 1 201 201 SER N N 15 115.631 0.15 . 1 . . . . A 201 SER N . 34338 1 581 . 1 . 1 202 202 TYR H H 1 9.188 0.01 . 1 . . . . A 202 TYR H . 34338 1 582 . 1 . 1 202 202 TYR C C 13 174.026 0.04 . 1 . . . . A 202 TYR C . 34338 1 583 . 1 . 1 202 202 TYR CA C 13 56.052 0.04 . 1 . . . . A 202 TYR CA . 34338 1 584 . 1 . 1 202 202 TYR CB C 13 41.092 0.04 . 1 . . . . A 202 TYR CB . 34338 1 585 . 1 . 1 202 202 TYR N N 15 125.731 0.15 . 1 . . . . A 202 TYR N . 34338 1 586 . 1 . 1 203 203 VAL H H 1 7.741 0.01 . 1 . . . . A 203 VAL H . 34338 1 587 . 1 . 1 203 203 VAL C C 13 174.599 0.04 . 1 . . . . A 203 VAL C . 34338 1 588 . 1 . 1 203 203 VAL CA C 13 60.612 0.04 . 1 . . . . A 203 VAL CA . 34338 1 589 . 1 . 1 203 203 VAL CB C 13 31.191 0.04 . 1 . . . . A 203 VAL CB . 34338 1 590 . 1 . 1 203 203 VAL N N 15 128.265 0.15 . 1 . . . . A 203 VAL N . 34338 1 591 . 1 . 1 204 204 PHE H H 1 9.419 0.01 . 1 . . . . A 204 PHE H . 34338 1 592 . 1 . 1 204 204 PHE C C 13 174.013 0.04 . 1 . . . . A 204 PHE C . 34338 1 593 . 1 . 1 204 204 PHE CA C 13 56.358 0.04 . 1 . . . . A 204 PHE CA . 34338 1 594 . 1 . 1 204 204 PHE CB C 13 39.181 0.04 . 1 . . . . A 204 PHE CB . 34338 1 595 . 1 . 1 204 204 PHE N N 15 126.737 0.15 . 1 . . . . A 204 PHE N . 34338 1 596 . 1 . 1 205 205 LYS H H 1 7.994 0.01 . 1 . . . . A 205 LYS H . 34338 1 597 . 1 . 1 205 205 LYS C C 13 177.203 0.04 . 1 . . . . A 205 LYS C . 34338 1 598 . 1 . 1 205 205 LYS CA C 13 54.297 0.04 . 1 . . . . A 205 LYS CA . 34338 1 599 . 1 . 1 205 205 LYS CB C 13 32.317 0.04 . 1 . . . . A 205 LYS CB . 34338 1 600 . 1 . 1 205 205 LYS N N 15 122.975 0.15 . 1 . . . . A 205 LYS N . 34338 1 601 . 1 . 1 206 206 LEU H H 1 8.328 0.01 . 1 . . . . A 206 LEU H . 34338 1 602 . 1 . 1 206 206 LEU C C 13 177.535 0.04 . 1 . . . . A 206 LEU C . 34338 1 603 . 1 . 1 206 206 LEU CA C 13 55.717 0.04 . 1 . . . . A 206 LEU CA . 34338 1 604 . 1 . 1 206 206 LEU CB C 13 41.182 0.04 . 1 . . . . A 206 LEU CB . 34338 1 605 . 1 . 1 206 206 LEU N N 15 125.438 0.15 . 1 . . . . A 206 LEU N . 34338 1 606 . 1 . 1 207 207 ALA H H 1 8.389 0.01 . 1 . . . . A 207 ALA H . 34338 1 607 . 1 . 1 207 207 ALA C C 13 178.147 0.04 . 1 . . . . A 207 ALA C . 34338 1 608 . 1 . 1 207 207 ALA CA C 13 52.958 0.04 . 1 . . . . A 207 ALA CA . 34338 1 609 . 1 . 1 207 207 ALA CB C 13 18.246 0.04 . 1 . . . . A 207 ALA CB . 34338 1 610 . 1 . 1 207 207 ALA N N 15 123.967 0.15 . 1 . . . . A 207 ALA N . 34338 1 611 . 1 . 1 208 208 ALA H H 1 7.832 0.01 . 1 . . . . A 208 ALA H . 34338 1 612 . 1 . 1 208 208 ALA CA C 13 52.556 0.04 . 1 . . . . A 208 ALA CA . 34338 1 613 . 1 . 1 208 208 ALA CB C 13 18.339 0.04 . 1 . . . . A 208 ALA CB . 34338 1 614 . 1 . 1 208 208 ALA N N 15 122.248 0.15 . 1 . . . . A 208 ALA N . 34338 1 stop_ save_