data_27776 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27776 _Entry.Title ; ssNMR assignment of membrane embedded Rhomboid protease GlpG ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-05 _Entry.Accession_date 2019-02-05 _Entry.Last_release_date 2019-02-05 _Entry.Original_release_date 2019-02-05 _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 SOLID-STATE _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Chaowei Shi . . . . 27776 2 Veniamin Chevelkov . . . . 27776 3 Claudia Bohg . . . . 27776 4 Sascha Lange . . . . 27776 5 Adam Lange . . . . 27776 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27776 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 279 27776 '15N chemical shifts' 90 27776 '1H chemical shifts' 90 27776 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 . . 2020-02-28 . original BMRB . 27776 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27776 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31603315 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure and Dynamics of the Rhomboid Protease GlpG in Liposomes Studied by Solid-State NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 141 _Citation.Journal_issue 43 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-5126 _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 17314 _Citation.Page_last 17321 _Citation.Year 2019 _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 Chaowei Shi C. . . . 27776 1 2 Carl Oster C. . . . 27776 1 3 Claudia Bohg C. . . . 27776 1 4 Longmei Li L. . . . 27776 1 5 Sascha Lange S. . . . 27776 1 6 Veniamin Chevelkov V. . . . 27776 1 7 Adam Lange A. . . . 27776 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27776 _Assembly.ID 1 _Assembly.Name GlpG _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 GlpG 1 $GlpG A . yes native no no . . . 27776 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GlpG _Entity.Sf_category entity _Entity.Sf_framecode GlpG _Entity.Entry_ID 27776 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GlpG _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 ; MGSSHHHHHHSSGLVPRGSH MAALRERAGPVTWVMMIACV VVFIAMQILGDQEVMLWLAW PFDPTLKFEFWRYFTHALMH FSLMHILFNLLWWWYLGGAV EKRLGSGKLIVITLISALLS GYVQQKFSGPWFGGLSGVVY ALMGYVWLRGERDPQSGIYL QRGLIIFALIWIVAGWFDLF GMSMANGAHIAGLAVGLAMA FVDSLNARKRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 211 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The first 21 residues are the His-tag and thrombin cleavage sequences from the pET15b vector. Then the GlpG residue sequence is 87-[AALRE...RKRK]-276. ; _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 66 MET . 27776 1 2 67 GLY . 27776 1 3 68 SER . 27776 1 4 69 SER . 27776 1 5 70 HIS . 27776 1 6 71 HIS . 27776 1 7 72 HIS . 27776 1 8 73 HIS . 27776 1 9 74 HIS . 27776 1 10 75 HIS . 27776 1 11 76 SER . 27776 1 12 77 SER . 27776 1 13 78 GLY . 27776 1 14 79 LEU . 27776 1 15 80 VAL . 27776 1 16 81 PRO . 27776 1 17 82 ARG . 27776 1 18 83 GLY . 27776 1 19 84 SER . 27776 1 20 85 HIS . 27776 1 21 86 MET . 27776 1 22 87 ALA . 27776 1 23 88 ALA . 27776 1 24 89 LEU . 27776 1 25 90 ARG . 27776 1 26 91 GLU . 27776 1 27 92 ARG . 27776 1 28 93 ALA . 27776 1 29 94 GLY . 27776 1 30 95 PRO . 27776 1 31 96 VAL . 27776 1 32 97 THR . 27776 1 33 98 TRP . 27776 1 34 99 VAL . 27776 1 35 100 MET . 27776 1 36 101 MET . 27776 1 37 102 ILE . 27776 1 38 103 ALA . 27776 1 39 104 CYS . 27776 1 40 105 VAL . 27776 1 41 106 VAL . 27776 1 42 107 VAL . 27776 1 43 108 PHE . 27776 1 44 109 ILE . 27776 1 45 110 ALA . 27776 1 46 111 MET . 27776 1 47 112 GLN . 27776 1 48 113 ILE . 27776 1 49 114 LEU . 27776 1 50 115 GLY . 27776 1 51 116 ASP . 27776 1 52 117 GLN . 27776 1 53 118 GLU . 27776 1 54 119 VAL . 27776 1 55 120 MET . 27776 1 56 121 LEU . 27776 1 57 122 TRP . 27776 1 58 123 LEU . 27776 1 59 124 ALA . 27776 1 60 125 TRP . 27776 1 61 126 PRO . 27776 1 62 127 PHE . 27776 1 63 128 ASP . 27776 1 64 129 PRO . 27776 1 65 130 THR . 27776 1 66 131 LEU . 27776 1 67 132 LYS . 27776 1 68 133 PHE . 27776 1 69 134 GLU . 27776 1 70 135 PHE . 27776 1 71 136 TRP . 27776 1 72 137 ARG . 27776 1 73 138 TYR . 27776 1 74 139 PHE . 27776 1 75 140 THR . 27776 1 76 141 HIS . 27776 1 77 142 ALA . 27776 1 78 143 LEU . 27776 1 79 144 MET . 27776 1 80 145 HIS . 27776 1 81 146 PHE . 27776 1 82 147 SER . 27776 1 83 148 LEU . 27776 1 84 149 MET . 27776 1 85 150 HIS . 27776 1 86 151 ILE . 27776 1 87 152 LEU . 27776 1 88 153 PHE . 27776 1 89 154 ASN . 27776 1 90 155 LEU . 27776 1 91 156 LEU . 27776 1 92 157 TRP . 27776 1 93 158 TRP . 27776 1 94 159 TRP . 27776 1 95 160 TYR . 27776 1 96 161 LEU . 27776 1 97 162 GLY . 27776 1 98 163 GLY . 27776 1 99 164 ALA . 27776 1 100 165 VAL . 27776 1 101 166 GLU . 27776 1 102 167 LYS . 27776 1 103 168 ARG . 27776 1 104 169 LEU . 27776 1 105 170 GLY . 27776 1 106 171 SER . 27776 1 107 172 GLY . 27776 1 108 173 LYS . 27776 1 109 174 LEU . 27776 1 110 175 ILE . 27776 1 111 176 VAL . 27776 1 112 177 ILE . 27776 1 113 178 THR . 27776 1 114 179 LEU . 27776 1 115 180 ILE . 27776 1 116 181 SER . 27776 1 117 182 ALA . 27776 1 118 183 LEU . 27776 1 119 184 LEU . 27776 1 120 185 SER . 27776 1 121 186 GLY . 27776 1 122 187 TYR . 27776 1 123 188 VAL . 27776 1 124 189 GLN . 27776 1 125 190 GLN . 27776 1 126 191 LYS . 27776 1 127 192 PHE . 27776 1 128 193 SER . 27776 1 129 194 GLY . 27776 1 130 195 PRO . 27776 1 131 196 TRP . 27776 1 132 197 PHE . 27776 1 133 198 GLY . 27776 1 134 199 GLY . 27776 1 135 200 LEU . 27776 1 136 201 SER . 27776 1 137 202 GLY . 27776 1 138 203 VAL . 27776 1 139 204 VAL . 27776 1 140 205 TYR . 27776 1 141 206 ALA . 27776 1 142 207 LEU . 27776 1 143 208 MET . 27776 1 144 209 GLY . 27776 1 145 210 TYR . 27776 1 146 211 VAL . 27776 1 147 212 TRP . 27776 1 148 213 LEU . 27776 1 149 214 ARG . 27776 1 150 215 GLY . 27776 1 151 216 GLU . 27776 1 152 217 ARG . 27776 1 153 218 ASP . 27776 1 154 219 PRO . 27776 1 155 220 GLN . 27776 1 156 221 SER . 27776 1 157 222 GLY . 27776 1 158 223 ILE . 27776 1 159 224 TYR . 27776 1 160 225 LEU . 27776 1 161 226 GLN . 27776 1 162 227 ARG . 27776 1 163 228 GLY . 27776 1 164 229 LEU . 27776 1 165 230 ILE . 27776 1 166 231 ILE . 27776 1 167 232 PHE . 27776 1 168 233 ALA . 27776 1 169 234 LEU . 27776 1 170 235 ILE . 27776 1 171 236 TRP . 27776 1 172 237 ILE . 27776 1 173 238 VAL . 27776 1 174 239 ALA . 27776 1 175 240 GLY . 27776 1 176 241 TRP . 27776 1 177 242 PHE . 27776 1 178 243 ASP . 27776 1 179 244 LEU . 27776 1 180 245 PHE . 27776 1 181 246 GLY . 27776 1 182 247 MET . 27776 1 183 248 SER . 27776 1 184 249 MET . 27776 1 185 250 ALA . 27776 1 186 251 ASN . 27776 1 187 252 GLY . 27776 1 188 253 ALA . 27776 1 189 254 HIS . 27776 1 190 255 ILE . 27776 1 191 256 ALA . 27776 1 192 257 GLY . 27776 1 193 258 LEU . 27776 1 194 259 ALA . 27776 1 195 260 VAL . 27776 1 196 261 GLY . 27776 1 197 262 LEU . 27776 1 198 263 ALA . 27776 1 199 264 MET . 27776 1 200 265 ALA . 27776 1 201 266 PHE . 27776 1 202 267 VAL . 27776 1 203 268 ASP . 27776 1 204 269 SER . 27776 1 205 270 LEU . 27776 1 206 271 ASN . 27776 1 207 272 ALA . 27776 1 208 273 ARG . 27776 1 209 274 LYS . 27776 1 210 275 ARG . 27776 1 211 276 LYS . 27776 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 27776 1 . GLY 2 2 27776 1 . SER 3 3 27776 1 . SER 4 4 27776 1 . HIS 5 5 27776 1 . HIS 6 6 27776 1 . HIS 7 7 27776 1 . HIS 8 8 27776 1 . HIS 9 9 27776 1 . HIS 10 10 27776 1 . SER 11 11 27776 1 . SER 12 12 27776 1 . GLY 13 13 27776 1 . LEU 14 14 27776 1 . VAL 15 15 27776 1 . PRO 16 16 27776 1 . ARG 17 17 27776 1 . GLY 18 18 27776 1 . SER 19 19 27776 1 . HIS 20 20 27776 1 . MET 21 21 27776 1 . ALA 22 22 27776 1 . ALA 23 23 27776 1 . LEU 24 24 27776 1 . ARG 25 25 27776 1 . GLU 26 26 27776 1 . ARG 27 27 27776 1 . ALA 28 28 27776 1 . GLY 29 29 27776 1 . PRO 30 30 27776 1 . VAL 31 31 27776 1 . THR 32 32 27776 1 . TRP 33 33 27776 1 . VAL 34 34 27776 1 . MET 35 35 27776 1 . MET 36 36 27776 1 . ILE 37 37 27776 1 . ALA 38 38 27776 1 . CYS 39 39 27776 1 . VAL 40 40 27776 1 . VAL 41 41 27776 1 . VAL 42 42 27776 1 . PHE 43 43 27776 1 . ILE 44 44 27776 1 . ALA 45 45 27776 1 . MET 46 46 27776 1 . GLN 47 47 27776 1 . ILE 48 48 27776 1 . LEU 49 49 27776 1 . GLY 50 50 27776 1 . ASP 51 51 27776 1 . GLN 52 52 27776 1 . GLU 53 53 27776 1 . VAL 54 54 27776 1 . MET 55 55 27776 1 . LEU 56 56 27776 1 . TRP 57 57 27776 1 . LEU 58 58 27776 1 . ALA 59 59 27776 1 . TRP 60 60 27776 1 . PRO 61 61 27776 1 . PHE 62 62 27776 1 . ASP 63 63 27776 1 . PRO 64 64 27776 1 . THR 65 65 27776 1 . LEU 66 66 27776 1 . LYS 67 67 27776 1 . PHE 68 68 27776 1 . GLU 69 69 27776 1 . PHE 70 70 27776 1 . TRP 71 71 27776 1 . ARG 72 72 27776 1 . TYR 73 73 27776 1 . PHE 74 74 27776 1 . THR 75 75 27776 1 . HIS 76 76 27776 1 . ALA 77 77 27776 1 . LEU 78 78 27776 1 . MET 79 79 27776 1 . HIS 80 80 27776 1 . PHE 81 81 27776 1 . SER 82 82 27776 1 . LEU 83 83 27776 1 . MET 84 84 27776 1 . HIS 85 85 27776 1 . ILE 86 86 27776 1 . LEU 87 87 27776 1 . PHE 88 88 27776 1 . ASN 89 89 27776 1 . LEU 90 90 27776 1 . LEU 91 91 27776 1 . TRP 92 92 27776 1 . TRP 93 93 27776 1 . TRP 94 94 27776 1 . TYR 95 95 27776 1 . LEU 96 96 27776 1 . GLY 97 97 27776 1 . GLY 98 98 27776 1 . ALA 99 99 27776 1 . VAL 100 100 27776 1 . GLU 101 101 27776 1 . LYS 102 102 27776 1 . ARG 103 103 27776 1 . LEU 104 104 27776 1 . GLY 105 105 27776 1 . SER 106 106 27776 1 . GLY 107 107 27776 1 . LYS 108 108 27776 1 . LEU 109 109 27776 1 . ILE 110 110 27776 1 . VAL 111 111 27776 1 . ILE 112 112 27776 1 . THR 113 113 27776 1 . LEU 114 114 27776 1 . ILE 115 115 27776 1 . SER 116 116 27776 1 . ALA 117 117 27776 1 . LEU 118 118 27776 1 . LEU 119 119 27776 1 . SER 120 120 27776 1 . GLY 121 121 27776 1 . TYR 122 122 27776 1 . VAL 123 123 27776 1 . GLN 124 124 27776 1 . GLN 125 125 27776 1 . LYS 126 126 27776 1 . PHE 127 127 27776 1 . SER 128 128 27776 1 . GLY 129 129 27776 1 . PRO 130 130 27776 1 . TRP 131 131 27776 1 . PHE 132 132 27776 1 . GLY 133 133 27776 1 . GLY 134 134 27776 1 . LEU 135 135 27776 1 . SER 136 136 27776 1 . GLY 137 137 27776 1 . VAL 138 138 27776 1 . VAL 139 139 27776 1 . TYR 140 140 27776 1 . ALA 141 141 27776 1 . LEU 142 142 27776 1 . MET 143 143 27776 1 . GLY 144 144 27776 1 . TYR 145 145 27776 1 . VAL 146 146 27776 1 . TRP 147 147 27776 1 . LEU 148 148 27776 1 . ARG 149 149 27776 1 . GLY 150 150 27776 1 . GLU 151 151 27776 1 . ARG 152 152 27776 1 . ASP 153 153 27776 1 . PRO 154 154 27776 1 . GLN 155 155 27776 1 . SER 156 156 27776 1 . GLY 157 157 27776 1 . ILE 158 158 27776 1 . TYR 159 159 27776 1 . LEU 160 160 27776 1 . GLN 161 161 27776 1 . ARG 162 162 27776 1 . GLY 163 163 27776 1 . LEU 164 164 27776 1 . ILE 165 165 27776 1 . ILE 166 166 27776 1 . PHE 167 167 27776 1 . ALA 168 168 27776 1 . LEU 169 169 27776 1 . ILE 170 170 27776 1 . TRP 171 171 27776 1 . ILE 172 172 27776 1 . VAL 173 173 27776 1 . ALA 174 174 27776 1 . GLY 175 175 27776 1 . TRP 176 176 27776 1 . PHE 177 177 27776 1 . ASP 178 178 27776 1 . LEU 179 179 27776 1 . PHE 180 180 27776 1 . GLY 181 181 27776 1 . MET 182 182 27776 1 . SER 183 183 27776 1 . MET 184 184 27776 1 . ALA 185 185 27776 1 . ASN 186 186 27776 1 . GLY 187 187 27776 1 . ALA 188 188 27776 1 . HIS 189 189 27776 1 . ILE 190 190 27776 1 . ALA 191 191 27776 1 . GLY 192 192 27776 1 . LEU 193 193 27776 1 . ALA 194 194 27776 1 . VAL 195 195 27776 1 . GLY 196 196 27776 1 . LEU 197 197 27776 1 . ALA 198 198 27776 1 . MET 199 199 27776 1 . ALA 200 200 27776 1 . PHE 201 201 27776 1 . VAL 202 202 27776 1 . ASP 203 203 27776 1 . SER 204 204 27776 1 . LEU 205 205 27776 1 . ASN 206 206 27776 1 . ALA 207 207 27776 1 . ARG 208 208 27776 1 . LYS 209 209 27776 1 . ARG 210 210 27776 1 . LYS 211 211 27776 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 27776 _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 $GlpG . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27776 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 27776 _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 $GlpG . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 27776 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27776 _Sample.ID 1 _Sample.Name . _Sample.Type membrane _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GlpG '[U-13C; U-15N; U-2H]' . . 1 $GlpG . . 35 30 40 '% w/w' . . . . 27776 1 2 'E.coli total lipid extract' 'natural abundance' . . . . . . 35 30 40 '% w/w' . . . . 27776 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 27776 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27776 1 5 H2O 'natural abundance' . . . . . . 30 20 40 '% w/w' . . . . 27776 1 6 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 27776 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 27776 _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' 0.12 . M 27776 1 pH 8 . pH 27776 1 pressure 1 . atm 27776 1 temperature 283 . K 27776 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27776 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27776 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27776 1 . 'data analysis' 27776 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27776 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27776 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27776 2 . processing 27776 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27776 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27776 _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 spectrometer_1 Bruker 'Avance HD' . 600 . . . 27776 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 27776 _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 '2D (H)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27776 1 2 '3D (H)CaNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27776 1 3 '3D (H)CoNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27776 1 4 '3D (H)Ca(Co)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27776 1 5 '3D (H)CaCo(N)H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27776 1 6 '3D (H)Cb(Ca)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27776 1 7 '3D (H)CbCa(N)H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27776 1 8 '3D (H)Co(Ca)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27776 1 9 '3D (H)CoCa(N)H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27776 1 10 '3D H(N)(Co)(Ca)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27776 1 11 '3D (H)N(Co)(Ca)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27776 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27776 _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 external indirect 0.25144953 . . . . . 27776 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 27776 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 27776 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27776 _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 $chemical_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 (H)NH' . . . 27776 1 2 '3D (H)CaNH' . . . 27776 1 3 '3D (H)CoNH' . . . 27776 1 4 '3D (H)Ca(Co)NH' . . . 27776 1 5 '3D (H)CaCo(N)H' . . . 27776 1 6 '3D (H)Cb(Ca)NH' . . . 27776 1 7 '3D (H)CbCa(N)H' . . . 27776 1 8 '3D (H)Co(Ca)NH' . . . 27776 1 9 '3D (H)CoCa(N)H' . . . 27776 1 10 '3D H(N)(Co)(Ca)NH' . . . 27776 1 11 '3D (H)N(Co)(Ca)NH' . . . 27776 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 30 30 PRO C C 13 179.2 0.000 . 1 . . . . . 95 PRO C . 27776 1 2 . 1 . 1 30 30 PRO CA C 13 65.54 0.000 . 1 . . . . . 95 PRO CA . 27776 1 3 . 1 . 1 31 31 VAL H H 1 10.85 0.014 . 1 . . . . . 96 VAL HN . 27776 1 4 . 1 . 1 31 31 VAL C C 13 178.6 0.004 . 1 . . . . . 96 VAL C . 27776 1 5 . 1 . 1 31 31 VAL CA C 13 66.95 0.025 . 1 . . . . . 96 VAL CA . 27776 1 6 . 1 . 1 31 31 VAL CB C 13 30.31 0.000 . 1 . . . . . 96 VAL CB . 27776 1 7 . 1 . 1 31 31 VAL N N 15 122.7 0.101 . 1 . . . . . 96 VAL N . 27776 1 8 . 1 . 1 41 41 VAL C C 13 177.6 0.000 . 1 . . . . . 106 VAL C . 27776 1 9 . 1 . 1 42 42 VAL H H 1 8.403 0.009 . 1 . . . . . 107 VAL HN . 27776 1 10 . 1 . 1 42 42 VAL C C 13 178.4 0.006 . 1 . . . . . 107 VAL C . 27776 1 11 . 1 . 1 42 42 VAL CA C 13 66.43 0.069 . 1 . . . . . 107 VAL CA . 27776 1 12 . 1 . 1 42 42 VAL CB C 13 30.89 0.000 . 1 . . . . . 107 VAL CB . 27776 1 13 . 1 . 1 42 42 VAL N N 15 118.8 0.009 . 1 . . . . . 107 VAL N . 27776 1 14 . 1 . 1 43 43 PHE H H 1 9.032 0.025 . 1 . . . . . 108 PHE HN . 27776 1 15 . 1 . 1 43 43 PHE C C 13 178.9 0.032 . 1 . . . . . 108 PHE C . 27776 1 16 . 1 . 1 43 43 PHE CA C 13 56.51 0.011 . 1 . . . . . 108 PHE CA . 27776 1 17 . 1 . 1 43 43 PHE CB C 13 39.31 0.008 . 1 . . . . . 108 PHE CB . 27776 1 18 . 1 . 1 43 43 PHE N N 15 119.7 0.066 . 1 . . . . . 108 PHE N . 27776 1 19 . 1 . 1 47 47 GLN C C 13 178.0 0.050 . 1 . . . . . 112 GLN C . 27776 1 20 . 1 . 1 47 47 GLN CA C 13 56.77 0.073 . 1 . . . . . 112 GLN CA . 27776 1 21 . 1 . 1 47 47 GLN CB C 13 29.66 0.000 . 1 . . . . . 112 GLN CB . 27776 1 22 . 1 . 1 48 48 ILE H H 1 7.995 0.025 . 1 . . . . . 113 ILE HN . 27776 1 23 . 1 . 1 48 48 ILE C C 13 177.8 0.031 . 1 . . . . . 113 ILE C . 27776 1 24 . 1 . 1 48 48 ILE CA C 13 63.64 0.019 . 1 . . . . . 113 ILE CA . 27776 1 25 . 1 . 1 48 48 ILE CB C 13 38.60 0.000 . 1 . . . . . 113 ILE CB . 27776 1 26 . 1 . 1 48 48 ILE N N 15 118.2 0.049 . 1 . . . . . 113 ILE N . 27776 1 27 . 1 . 1 49 49 LEU H H 1 9.136 0.022 . 1 . . . . . 114 LEU HN . 27776 1 28 . 1 . 1 49 49 LEU C C 13 178.9 0.020 . 1 . . . . . 114 LEU C . 27776 1 29 . 1 . 1 49 49 LEU CA C 13 55.14 0.013 . 1 . . . . . 114 LEU CA . 27776 1 30 . 1 . 1 49 49 LEU CB C 13 42.08 0.071 . 1 . . . . . 114 LEU CB . 27776 1 31 . 1 . 1 49 49 LEU N N 15 116.6 0.115 . 1 . . . . . 114 LEU N . 27776 1 32 . 1 . 1 50 50 GLY H H 1 7.354 0.004 . 1 . . . . . 115 GLY HN . 27776 1 33 . 1 . 1 50 50 GLY C C 13 173.3 0.028 . 1 . . . . . 115 GLY C . 27776 1 34 . 1 . 1 50 50 GLY CA C 13 44.33 0.025 . 1 . . . . . 115 GLY CA . 27776 1 35 . 1 . 1 50 50 GLY N N 15 109.5 0.099 . 1 . . . . . 115 GLY N . 27776 1 36 . 1 . 1 51 51 ASP H H 1 8.050 0.017 . 1 . . . . . 116 ASP HN . 27776 1 37 . 1 . 1 51 51 ASP C C 13 178.7 0.041 . 1 . . . . . 116 ASP C . 27776 1 38 . 1 . 1 51 51 ASP CA C 13 57.51 0.017 . 1 . . . . . 116 ASP CA . 27776 1 39 . 1 . 1 51 51 ASP CB C 13 40.06 0.088 . 1 . . . . . 116 ASP CB . 27776 1 40 . 1 . 1 51 51 ASP N N 15 118.5 0.113 . 1 . . . . . 116 ASP N . 27776 1 41 . 1 . 1 52 52 GLN H H 1 8.491 0.023 . 1 . . . . . 117 GLN HN . 27776 1 42 . 1 . 1 52 52 GLN C C 13 177.3 0.081 . 1 . . . . . 117 GLN C . 27776 1 43 . 1 . 1 52 52 GLN CA C 13 59.60 0.053 . 1 . . . . . 117 GLN CA . 27776 1 44 . 1 . 1 52 52 GLN CB C 13 28.36 0.000 . 1 . . . . . 117 GLN CB . 27776 1 45 . 1 . 1 52 52 GLN N N 15 116.3 0.120 . 1 . . . . . 117 GLN N . 27776 1 46 . 1 . 1 53 53 GLU H H 1 8.405 0.026 . 1 . . . . . 118 GLU HN . 27776 1 47 . 1 . 1 53 53 GLU C C 13 176.9 0.000 . 1 . . . . . 118 GLU C . 27776 1 48 . 1 . 1 53 53 GLU CA C 13 59.10 0.001 . 1 . . . . . 118 GLU CA . 27776 1 49 . 1 . 1 53 53 GLU N N 15 118.6 0.047 . 1 . . . . . 118 GLU N . 27776 1 50 . 1 . 1 54 54 VAL H H 1 6.502 0.019 . 1 . . . . . 119 VAL HN . 27776 1 51 . 1 . 1 54 54 VAL C C 13 178.8 0.004 . 1 . . . . . 119 VAL C . 27776 1 52 . 1 . 1 54 54 VAL CA C 13 64.64 0.099 . 1 . . . . . 119 VAL CA . 27776 1 53 . 1 . 1 54 54 VAL CB C 13 31.27 0.019 . 1 . . . . . 119 VAL CB . 27776 1 54 . 1 . 1 54 54 VAL N N 15 113.3 0.061 . 1 . . . . . 119 VAL N . 27776 1 55 . 1 . 1 55 55 MET H H 1 8.684 0.032 . 1 . . . . . 120 MET HN . 27776 1 56 . 1 . 1 55 55 MET C C 13 178.1 0.020 . 1 . . . . . 120 MET C . 27776 1 57 . 1 . 1 55 55 MET CA C 13 59.74 0.036 . 1 . . . . . 120 MET CA . 27776 1 58 . 1 . 1 55 55 MET CB C 13 33.63 0.047 . 1 . . . . . 120 MET CB . 27776 1 59 . 1 . 1 55 55 MET N N 15 119.0 0.039 . 1 . . . . . 120 MET N . 27776 1 60 . 1 . 1 56 56 LEU H H 1 8.012 0.013 . 1 . . . . . 121 LEU HN . 27776 1 61 . 1 . 1 56 56 LEU C C 13 180.6 0.032 . 1 . . . . . 121 LEU C . 27776 1 62 . 1 . 1 56 56 LEU CA C 13 58.14 0.006 . 1 . . . . . 121 LEU CA . 27776 1 63 . 1 . 1 56 56 LEU CB C 13 39.63 0.000 . 1 . . . . . 121 LEU CB . 27776 1 64 . 1 . 1 56 56 LEU N N 15 116.0 0.112 . 1 . . . . . 121 LEU N . 27776 1 65 . 1 . 1 57 57 TRP H H 1 7.484 0.012 . 1 . . . . . 122 TRP HN . 27776 1 66 . 1 . 1 57 57 TRP C C 13 177.2 0.005 . 1 . . . . . 122 TRP C . 27776 1 67 . 1 . 1 57 57 TRP CA C 13 58.20 0.027 . 1 . . . . . 122 TRP CA . 27776 1 68 . 1 . 1 57 57 TRP CB C 13 29.43 0.000 . 1 . . . . . 122 TRP CB . 27776 1 69 . 1 . 1 57 57 TRP N N 15 118.2 0.124 . 1 . . . . . 122 TRP N . 27776 1 70 . 1 . 1 58 58 LEU C C 13 177.4 0.000 . 1 . . . . . 123 LEU C . 27776 1 71 . 1 . 1 59 59 ALA H H 1 8.997 0.026 . 1 . . . . . 124 ALA HN . 27776 1 72 . 1 . 1 59 59 ALA C C 13 176.1 0.000 . 1 . . . . . 124 ALA C . 27776 1 73 . 1 . 1 59 59 ALA CA C 13 52.73 0.045 . 1 . . . . . 124 ALA CA . 27776 1 74 . 1 . 1 59 59 ALA N N 15 119.3 0.072 . 1 . . . . . 124 ALA N . 27776 1 75 . 1 . 1 60 60 TRP H H 1 8.301 0.031 . 1 . . . . . 125 TRP HN . 27776 1 76 . 1 . 1 60 60 TRP CA C 13 55.42 0.000 . 1 . . . . . 125 TRP CA . 27776 1 77 . 1 . 1 60 60 TRP CB C 13 29.31 0.000 . 1 . . . . . 125 TRP CB . 27776 1 78 . 1 . 1 60 60 TRP N N 15 119.5 0.075 . 1 . . . . . 125 TRP N . 27776 1 79 . 1 . 1 61 61 PRO C C 13 177.9 0.000 . 1 . . . . . 126 PRO C . 27776 1 80 . 1 . 1 61 61 PRO CA C 13 64.89 0.000 . 1 . . . . . 126 PRO CA . 27776 1 81 . 1 . 1 62 62 PHE H H 1 6.099 0.008 . 1 . . . . . 127 PHE HN . 27776 1 82 . 1 . 1 62 62 PHE C C 13 173.4 0.015 . 1 . . . . . 127 PHE C . 27776 1 83 . 1 . 1 62 62 PHE CA C 13 54.27 0.046 . 1 . . . . . 127 PHE CA . 27776 1 84 . 1 . 1 62 62 PHE CB C 13 37.34 0.082 . 1 . . . . . 127 PHE CB . 27776 1 85 . 1 . 1 62 62 PHE N N 15 118.5 0.046 . 1 . . . . . 127 PHE N . 27776 1 86 . 1 . 1 63 63 ASP H H 1 7.176 0.011 . 1 . . . . . 128 ASP HN . 27776 1 87 . 1 . 1 63 63 ASP C C 13 174.8 0.008 . 1 . . . . . 128 ASP C . 27776 1 88 . 1 . 1 63 63 ASP CA C 13 51.53 0.004 . 1 . . . . . 128 ASP CA . 27776 1 89 . 1 . 1 63 63 ASP CB C 13 45.39 0.073 . 1 . . . . . 128 ASP CB . 27776 1 90 . 1 . 1 63 63 ASP N N 15 122.0 0.115 . 1 . . . . . 128 ASP N . 27776 1 91 . 1 . 1 64 64 PRO C C 13 179.0 0.000 . 1 . . . . . 129 PRO C . 27776 1 92 . 1 . 1 64 64 PRO CA C 13 64.81 0.000 . 1 . . . . . 129 PRO CA . 27776 1 93 . 1 . 1 65 65 THR H H 1 9.034 0.015 . 1 . . . . . 130 THR HN . 27776 1 94 . 1 . 1 65 65 THR C C 13 176.6 0.027 . 1 . . . . . 130 THR C . 27776 1 95 . 1 . 1 65 65 THR CA C 13 64.18 0.025 . 1 . . . . . 130 THR CA . 27776 1 96 . 1 . 1 65 65 THR CB C 13 69.29 0.041 . 1 . . . . . 130 THR CB . 27776 1 97 . 1 . 1 65 65 THR N N 15 110.0 0.059 . 1 . . . . . 130 THR N . 27776 1 98 . 1 . 1 66 66 LEU H H 1 8.008 0.019 . 1 . . . . . 131 LEU HN . 27776 1 99 . 1 . 1 66 66 LEU C C 13 178.1 0.051 . 1 . . . . . 131 LEU C . 27776 1 100 . 1 . 1 66 66 LEU CA C 13 53.83 0.067 . 1 . . . . . 131 LEU CA . 27776 1 101 . 1 . 1 66 66 LEU CB C 13 41.28 0.087 . 1 . . . . . 131 LEU CB . 27776 1 102 . 1 . 1 66 66 LEU CG C 13 24.85 0.007 . 1 . . . . . 131 LEU CG . 27776 1 103 . 1 . 1 66 66 LEU N N 15 120.1 0.072 . 1 . . . . . 131 LEU N . 27776 1 104 . 1 . 1 67 67 LYS H H 1 7.147 0.023 . 1 . . . . . 132 LYS HN . 27776 1 105 . 1 . 1 67 67 LYS C C 13 176.6 0.018 . 1 . . . . . 132 LYS C . 27776 1 106 . 1 . 1 67 67 LYS CA C 13 58.34 0.035 . 1 . . . . . 132 LYS CA . 27776 1 107 . 1 . 1 67 67 LYS CB C 13 31.59 0.001 . 1 . . . . . 132 LYS CB . 27776 1 108 . 1 . 1 67 67 LYS N N 15 116.2 0.060 . 1 . . . . . 132 LYS N . 27776 1 109 . 1 . 1 68 68 PHE H H 1 8.737 0.030 . 1 . . . . . 133 PHE HN . 27776 1 110 . 1 . 1 68 68 PHE C C 13 175.7 0.042 . 1 . . . . . 133 PHE C . 27776 1 111 . 1 . 1 68 68 PHE CA C 13 58.27 0.035 . 1 . . . . . 133 PHE CA . 27776 1 112 . 1 . 1 68 68 PHE CB C 13 36.97 0.022 . 1 . . . . . 133 PHE CB . 27776 1 113 . 1 . 1 68 68 PHE N N 15 114.8 0.130 . 1 . . . . . 133 PHE N . 27776 1 114 . 1 . 1 69 69 GLU H H 1 7.489 0.013 . 1 . . . . . 134 GLU HN . 27776 1 115 . 1 . 1 69 69 GLU C C 13 176.8 0.025 . 1 . . . . . 134 GLU C . 27776 1 116 . 1 . 1 69 69 GLU CA C 13 54.79 0.017 . 1 . . . . . 134 GLU CA . 27776 1 117 . 1 . 1 69 69 GLU CB C 13 23.57 0.000 . 1 . . . . . 134 GLU CB . 27776 1 118 . 1 . 1 69 69 GLU N N 15 121.1 0.030 . 1 . . . . . 134 GLU N . 27776 1 119 . 1 . 1 70 70 PHE H H 1 7.651 0.023 . 1 . . . . . 135 PHE HN . 27776 1 120 . 1 . 1 70 70 PHE C C 13 175.1 0.030 . 1 . . . . . 135 PHE C . 27776 1 121 . 1 . 1 70 70 PHE CA C 13 58.83 0.025 . 1 . . . . . 135 PHE CA . 27776 1 122 . 1 . 1 70 70 PHE CB C 13 38.85 0.000 . 1 . . . . . 135 PHE CB . 27776 1 123 . 1 . 1 70 70 PHE N N 15 117.4 0.067 . 1 . . . . . 135 PHE N . 27776 1 124 . 1 . 1 71 71 TRP H H 1 6.828 0.015 . 1 . . . . . 136 TRP HN . 27776 1 125 . 1 . 1 71 71 TRP C C 13 177.0 0.011 . 1 . . . . . 136 TRP C . 27776 1 126 . 1 . 1 71 71 TRP CA C 13 59.83 0.021 . 1 . . . . . 136 TRP CA . 27776 1 127 . 1 . 1 71 71 TRP CB C 13 26.21 0.050 . 1 . . . . . 136 TRP CB . 27776 1 128 . 1 . 1 71 71 TRP N N 15 118.5 0.070 . 1 . . . . . 136 TRP N . 27776 1 129 . 1 . 1 72 72 ARG H H 1 7.271 0.019 . 1 . . . . . 137 ARG HN . 27776 1 130 . 1 . 1 72 72 ARG C C 13 175.6 0.046 . 1 . . . . . 137 ARG C . 27776 1 131 . 1 . 1 72 72 ARG CA C 13 57.30 0.007 . 1 . . . . . 137 ARG CA . 27776 1 132 . 1 . 1 72 72 ARG CB C 13 29.75 0.000 . 1 . . . . . 137 ARG CB . 27776 1 133 . 1 . 1 72 72 ARG CD C 13 42.25 0.000 . 1 . . . . . 137 ARG CD . 27776 1 134 . 1 . 1 72 72 ARG N N 15 122.5 0.057 . 1 . . . . . 137 ARG N . 27776 1 135 . 1 . 1 74 74 PHE C C 13 176.9 0.000 . 1 . . . . . 139 PHE C . 27776 1 136 . 1 . 1 75 75 THR H H 1 9.400 0.029 . 1 . . . . . 140 THR HN . 27776 1 137 . 1 . 1 75 75 THR C C 13 175.0 0.013 . 1 . . . . . 140 THR C . 27776 1 138 . 1 . 1 75 75 THR CA C 13 65.83 0.060 . 1 . . . . . 140 THR CA . 27776 1 139 . 1 . 1 75 75 THR CB C 13 68.95 0.050 . 1 . . . . . 140 THR CB . 27776 1 140 . 1 . 1 75 75 THR N N 15 107.6 0.025 . 1 . . . . . 140 THR N . 27776 1 141 . 1 . 1 76 76 HIS H H 1 7.183 0.015 . 1 . . . . . 141 HIS HN . 27776 1 142 . 1 . 1 76 76 HIS C C 13 177.6 0.024 . 1 . . . . . 141 HIS C . 27776 1 143 . 1 . 1 76 76 HIS CA C 13 56.71 0.003 . 1 . . . . . 141 HIS CA . 27776 1 144 . 1 . 1 76 76 HIS CB C 13 29.84 0.000 . 1 . . . . . 141 HIS CB . 27776 1 145 . 1 . 1 76 76 HIS N N 15 121.1 0.053 . 1 . . . . . 141 HIS N . 27776 1 146 . 1 . 1 77 77 ALA H H 1 6.878 0.015 . 1 . . . . . 142 ALA HN . 27776 1 147 . 1 . 1 77 77 ALA CA C 13 52.35 0.000 . 1 . . . . . 142 ALA CA . 27776 1 148 . 1 . 1 77 77 ALA N N 15 123.3 0.023 . 1 . . . . . 142 ALA N . 27776 1 149 . 1 . 1 79 79 MET C C 13 171.8 0.036 . 1 . . . . . 144 MET C . 27776 1 150 . 1 . 1 79 79 MET CA C 13 56.03 0.038 . 1 . . . . . 144 MET CA . 27776 1 151 . 1 . 1 80 80 HIS H H 1 6.459 0.010 . 1 . . . . . 145 HIS HN . 27776 1 152 . 1 . 1 80 80 HIS C C 13 175.5 0.009 . 1 . . . . . 145 HIS C . 27776 1 153 . 1 . 1 80 80 HIS CA C 13 56.14 0.020 . 1 . . . . . 145 HIS CA . 27776 1 154 . 1 . 1 80 80 HIS CB C 13 33.20 0.000 . 1 . . . . . 145 HIS CB . 27776 1 155 . 1 . 1 80 80 HIS N N 15 112.2 0.075 . 1 . . . . . 145 HIS N . 27776 1 156 . 1 . 1 81 81 PHE H H 1 10.59 0.036 . 1 . . . . . 146 PHE HN . 27776 1 157 . 1 . 1 81 81 PHE C C 13 175.5 0.019 . 1 . . . . . 146 PHE C . 27776 1 158 . 1 . 1 81 81 PHE CA C 13 59.46 0.017 . 1 . . . . . 146 PHE CA . 27776 1 159 . 1 . 1 81 81 PHE CB C 13 39.76 0.011 . 1 . . . . . 146 PHE CB . 27776 1 160 . 1 . 1 81 81 PHE N N 15 118.3 0.051 . 1 . . . . . 146 PHE N . 27776 1 161 . 1 . 1 82 82 SER H H 1 8.193 0.030 . 1 . . . . . 147 SER HN . 27776 1 162 . 1 . 1 82 82 SER C C 13 174.2 0.028 . 1 . . . . . 147 SER C . 27776 1 163 . 1 . 1 82 82 SER CA C 13 56.99 0.045 . 1 . . . . . 147 SER CA . 27776 1 164 . 1 . 1 82 82 SER CB C 13 65.53 0.041 . 1 . . . . . 147 SER CB . 27776 1 165 . 1 . 1 82 82 SER N N 15 112.2 0.059 . 1 . . . . . 147 SER N . 27776 1 166 . 1 . 1 83 83 LEU H H 1 9.901 0.031 . 1 . . . . . 148 LEU HN . 27776 1 167 . 1 . 1 83 83 LEU C C 13 178.0 0.011 . 1 . . . . . 148 LEU C . 27776 1 168 . 1 . 1 83 83 LEU CA C 13 57.10 0.031 . 1 . . . . . 148 LEU CA . 27776 1 169 . 1 . 1 83 83 LEU CB C 13 40.88 0.002 . 1 . . . . . 148 LEU CB . 27776 1 170 . 1 . 1 83 83 LEU N N 15 124.4 0.134 . 1 . . . . . 148 LEU N . 27776 1 171 . 1 . 1 84 84 MET H H 1 8.901 0.030 . 1 . . . . . 149 MET HN . 27776 1 172 . 1 . 1 84 84 MET C C 13 177.5 0.013 . 1 . . . . . 149 MET C . 27776 1 173 . 1 . 1 84 84 MET CA C 13 58.18 0.104 . 1 . . . . . 149 MET CA . 27776 1 174 . 1 . 1 84 84 MET CB C 13 31.78 0.095 . 1 . . . . . 149 MET CB . 27776 1 175 . 1 . 1 84 84 MET N N 15 116.1 0.110 . 1 . . . . . 149 MET N . 27776 1 176 . 1 . 1 85 85 HIS H H 1 7.955 0.040 . 1 . . . . . 150 HIS HN . 27776 1 177 . 1 . 1 85 85 HIS C C 13 177.7 0.003 . 1 . . . . . 150 HIS C . 27776 1 178 . 1 . 1 85 85 HIS CA C 13 56.64 0.118 . 1 . . . . . 150 HIS CA . 27776 1 179 . 1 . 1 85 85 HIS CB C 13 26.47 0.057 . 1 . . . . . 150 HIS CB . 27776 1 180 . 1 . 1 85 85 HIS N N 15 117.3 0.088 . 1 . . . . . 150 HIS N . 27776 1 181 . 1 . 1 97 97 GLY C C 13 175.7 0.000 . 1 . . . . . 162 GLY C . 27776 1 182 . 1 . 1 98 98 GLY H H 1 6.841 0.001 . 1 . . . . . 163 GLY HN . 27776 1 183 . 1 . 1 98 98 GLY C C 13 176.4 0.043 . 1 . . . . . 163 GLY C . 27776 1 184 . 1 . 1 98 98 GLY CA C 13 46.69 0.047 . 1 . . . . . 163 GLY CA . 27776 1 185 . 1 . 1 98 98 GLY N N 15 106.5 0.006 . 1 . . . . . 163 GLY N . 27776 1 186 . 1 . 1 99 99 ALA H H 1 6.933 0.013 . 1 . . . . . 164 ALA HN . 27776 1 187 . 1 . 1 99 99 ALA C C 13 180.0 0.003 . 1 . . . . . 164 ALA C . 27776 1 188 . 1 . 1 99 99 ALA CA C 13 54.80 0.036 . 1 . . . . . 164 ALA CA . 27776 1 189 . 1 . 1 99 99 ALA CB C 13 16.97 0.000 . 1 . . . . . 164 ALA CB . 27776 1 190 . 1 . 1 99 99 ALA N N 15 122.2 0.049 . 1 . . . . . 164 ALA N . 27776 1 191 . 1 . 1 101 101 GLU H H 1 8.489 0.026 . 1 . . . . . 166 GLU HN . 27776 1 192 . 1 . 1 101 101 GLU C C 13 179.5 0.020 . 1 . . . . . 166 GLU C . 27776 1 193 . 1 . 1 101 101 GLU CA C 13 58.73 0.051 . 1 . . . . . 166 GLU CA . 27776 1 194 . 1 . 1 101 101 GLU CB C 13 28.29 0.000 . 1 . . . . . 166 GLU CB . 27776 1 195 . 1 . 1 101 101 GLU CG C 13 35.38 0.000 . 1 . . . . . 166 GLU CG . 27776 1 196 . 1 . 1 101 101 GLU N N 15 117.1 0.051 . 1 . . . . . 166 GLU N . 27776 1 197 . 1 . 1 102 102 LYS H H 1 8.492 0.018 . 1 . . . . . 167 LYS HN . 27776 1 198 . 1 . 1 102 102 LYS C C 13 178.4 0.016 . 1 . . . . . 167 LYS C . 27776 1 199 . 1 . 1 102 102 LYS CA C 13 58.27 0.087 . 1 . . . . . 167 LYS CA . 27776 1 200 . 1 . 1 102 102 LYS CB C 13 31.29 0.056 . 1 . . . . . 167 LYS CB . 27776 1 201 . 1 . 1 102 102 LYS N N 15 117.2 0.037 . 1 . . . . . 167 LYS N . 27776 1 202 . 1 . 1 103 103 ARG H H 1 7.887 0.028 . 1 . . . . . 168 ARG HN . 27776 1 203 . 1 . 1 103 103 ARG C C 13 177.6 0.013 . 1 . . . . . 168 ARG C . 27776 1 204 . 1 . 1 103 103 ARG CA C 13 56.25 0.054 . 1 . . . . . 168 ARG CA . 27776 1 205 . 1 . 1 103 103 ARG CB C 13 30.09 0.135 . 1 . . . . . 168 ARG CB . 27776 1 206 . 1 . 1 103 103 ARG N N 15 113.4 0.080 . 1 . . . . . 168 ARG N . 27776 1 207 . 1 . 1 104 104 LEU H H 1 8.984 0.016 . 1 . . . . . 169 LEU HN . 27776 1 208 . 1 . 1 104 104 LEU C C 13 177.9 0.015 . 1 . . . . . 169 LEU C . 27776 1 209 . 1 . 1 104 104 LEU CA C 13 53.93 0.020 . 1 . . . . . 169 LEU CA . 27776 1 210 . 1 . 1 104 104 LEU CB C 13 41.74 0.039 . 1 . . . . . 169 LEU CB . 27776 1 211 . 1 . 1 104 104 LEU N N 15 116.3 0.071 . 1 . . . . . 169 LEU N . 27776 1 212 . 1 . 1 105 105 GLY H H 1 7.728 0.014 . 1 . . . . . 170 GLY HN . 27776 1 213 . 1 . 1 105 105 GLY C C 13 174.0 0.027 . 1 . . . . . 170 GLY C . 27776 1 214 . 1 . 1 105 105 GLY CA C 13 44.62 0.031 . 1 . . . . . 170 GLY CA . 27776 1 215 . 1 . 1 105 105 GLY N N 15 110.1 0.057 . 1 . . . . . 170 GLY N . 27776 1 216 . 1 . 1 106 106 SER H H 1 8.875 0.019 . 1 . . . . . 171 SER HN . 27776 1 217 . 1 . 1 106 106 SER C C 13 176.1 0.017 . 1 . . . . . 171 SER C . 27776 1 218 . 1 . 1 106 106 SER CA C 13 62.92 0.030 . 1 . . . . . 171 SER CA . 27776 1 219 . 1 . 1 106 106 SER CB C 13 63.19 0.025 . 1 . . . . . 171 SER CB . 27776 1 220 . 1 . 1 106 106 SER N N 15 116.1 0.031 . 1 . . . . . 171 SER N . 27776 1 221 . 1 . 1 107 107 GLY H H 1 9.268 0.022 . 1 . . . . . 172 GLY HN . 27776 1 222 . 1 . 1 107 107 GLY C C 13 175.0 0.044 . 1 . . . . . 172 GLY C . 27776 1 223 . 1 . 1 107 107 GLY CA C 13 47.39 0.039 . 1 . . . . . 172 GLY CA . 27776 1 224 . 1 . 1 107 107 GLY N N 15 109.2 0.069 . 1 . . . . . 172 GLY N . 27776 1 225 . 1 . 1 108 108 LYS H H 1 8.136 0.014 . 1 . . . . . 173 LYS HN . 27776 1 226 . 1 . 1 108 108 LYS C C 13 177.8 0.044 . 1 . . . . . 173 LYS C . 27776 1 227 . 1 . 1 108 108 LYS CA C 13 56.55 0.063 . 1 . . . . . 173 LYS CA . 27776 1 228 . 1 . 1 108 108 LYS CB C 13 28.17 0.016 . 1 . . . . . 173 LYS CB . 27776 1 229 . 1 . 1 108 108 LYS CG C 13 22.05 0.066 . 1 . . . . . 173 LYS CG . 27776 1 230 . 1 . 1 108 108 LYS CD C 13 25.26 0.038 . 1 . . . . . 173 LYS CD . 27776 1 231 . 1 . 1 108 108 LYS CE C 13 40.30 0.000 . 1 . . . . . 173 LYS CE . 27776 1 232 . 1 . 1 108 108 LYS N N 15 121.5 0.049 . 1 . . . . . 173 LYS N . 27776 1 233 . 1 . 1 109 109 LEU H H 1 7.134 0.032 . 1 . . . . . 174 LEU HN . 27776 1 234 . 1 . 1 109 109 LEU C C 13 180.1 0.035 . 1 . . . . . 174 LEU C . 27776 1 235 . 1 . 1 109 109 LEU CA C 13 57.23 0.101 . 1 . . . . . 174 LEU CA . 27776 1 236 . 1 . 1 109 109 LEU CB C 13 40.48 0.034 . 1 . . . . . 174 LEU CB . 27776 1 237 . 1 . 1 109 109 LEU N N 15 116.0 0.132 . 1 . . . . . 174 LEU N . 27776 1 238 . 1 . 1 110 110 ILE H H 1 8.800 0.015 . 1 . . . . . 175 ILE HN . 27776 1 239 . 1 . 1 110 110 ILE C C 13 176.8 0.000 . 1 . . . . . 175 ILE C . 27776 1 240 . 1 . 1 110 110 ILE CA C 13 66.01 0.051 . 1 . . . . . 175 ILE CA . 27776 1 241 . 1 . 1 110 110 ILE CB C 13 36.74 0.000 . 1 . . . . . 175 ILE CB . 27776 1 242 . 1 . 1 110 110 ILE N N 15 121.7 0.040 . 1 . . . . . 175 ILE N . 27776 1 243 . 1 . 1 123 123 VAL C C 13 177.0 0.000 . 1 . . . . . 188 VAL C . 27776 1 244 . 1 . 1 123 123 VAL CA C 13 66.39 0.000 . 1 . . . . . 188 VAL CA . 27776 1 245 . 1 . 1 124 124 GLN H H 1 8.181 0.016 . 1 . . . . . 189 GLN HN . 27776 1 246 . 1 . 1 124 124 GLN C C 13 178.3 0.016 . 1 . . . . . 189 GLN C . 27776 1 247 . 1 . 1 124 124 GLN CA C 13 57.99 0.026 . 1 . . . . . 189 GLN CA . 27776 1 248 . 1 . 1 124 124 GLN CB C 13 25.63 0.000 . 1 . . . . . 189 GLN CB . 27776 1 249 . 1 . 1 124 124 GLN N N 15 119.5 0.095 . 1 . . . . . 189 GLN N . 27776 1 250 . 1 . 1 125 125 GLN H H 1 7.805 0.015 . 1 . . . . . 190 GLN HN . 27776 1 251 . 1 . 1 125 125 GLN C C 13 178.9 0.020 . 1 . . . . . 190 GLN C . 27776 1 252 . 1 . 1 125 125 GLN CA C 13 56.32 0.025 . 1 . . . . . 190 GLN CA . 27776 1 253 . 1 . 1 125 125 GLN CB C 13 24.02 0.008 . 1 . . . . . 190 GLN CB . 27776 1 254 . 1 . 1 125 125 GLN N N 15 116.0 0.031 . 1 . . . . . 190 GLN N . 27776 1 255 . 1 . 1 126 126 LYS H H 1 7.335 0.029 . 1 . . . . . 191 LYS HN . 27776 1 256 . 1 . 1 126 126 LYS C C 13 178.0 0.020 . 1 . . . . . 191 LYS C . 27776 1 257 . 1 . 1 126 126 LYS CA C 13 57.11 0.088 . 1 . . . . . 191 LYS CA . 27776 1 258 . 1 . 1 126 126 LYS CB C 13 30.41 0.000 . 1 . . . . . 191 LYS CB . 27776 1 259 . 1 . 1 126 126 LYS N N 15 121.3 0.086 . 1 . . . . . 191 LYS N . 27776 1 260 . 1 . 1 127 127 PHE H H 1 7.555 0.022 . 1 . . . . . 192 PHE HN . 27776 1 261 . 1 . 1 127 127 PHE C C 13 178.3 0.084 . 1 . . . . . 192 PHE C . 27776 1 262 . 1 . 1 127 127 PHE CA C 13 59.97 0.021 . 1 . . . . . 192 PHE CA . 27776 1 263 . 1 . 1 127 127 PHE CB C 13 38.81 0.049 . 1 . . . . . 192 PHE CB . 27776 1 264 . 1 . 1 127 127 PHE N N 15 114.8 0.137 . 1 . . . . . 192 PHE N . 27776 1 265 . 1 . 1 128 128 SER H H 1 8.526 0.024 . 1 . . . . . 193 SER HN . 27776 1 266 . 1 . 1 128 128 SER C C 13 175.4 0.057 . 1 . . . . . 193 SER C . 27776 1 267 . 1 . 1 128 128 SER CA C 13 58.05 0.047 . 1 . . . . . 193 SER CA . 27776 1 268 . 1 . 1 128 128 SER CB C 13 64.95 0.080 . 1 . . . . . 193 SER CB . 27776 1 269 . 1 . 1 128 128 SER N N 15 111.2 0.067 . 1 . . . . . 193 SER N . 27776 1 270 . 1 . 1 129 129 GLY H H 1 8.334 0.015 . 1 . . . . . 194 GLY HN . 27776 1 271 . 1 . 1 129 129 GLY C C 13 173.3 0.030 . 1 . . . . . 194 GLY C . 27776 1 272 . 1 . 1 129 129 GLY CA C 13 44.95 0.041 . 1 . . . . . 194 GLY CA . 27776 1 273 . 1 . 1 129 129 GLY N N 15 112.2 0.125 . 1 . . . . . 194 GLY N . 27776 1 274 . 1 . 1 130 130 PRO C C 13 174.7 0.016 . 1 . . . . . 195 PRO C . 27776 1 275 . 1 . 1 130 130 PRO CA C 13 64.66 0.028 . 1 . . . . . 195 PRO CA . 27776 1 276 . 1 . 1 130 130 PRO CB C 13 31.36 0.000 . 1 . . . . . 195 PRO CB . 27776 1 277 . 1 . 1 131 131 TRP H H 1 8.083 0.022 . 1 . . . . . 196 TRP HN . 27776 1 278 . 1 . 1 131 131 TRP C C 13 174.2 0.049 . 1 . . . . . 196 TRP C . 27776 1 279 . 1 . 1 131 131 TRP CA C 13 54.52 0.063 . 1 . . . . . 196 TRP CA . 27776 1 280 . 1 . 1 131 131 TRP CB C 13 26.65 0.000 . 1 . . . . . 196 TRP CB . 27776 1 281 . 1 . 1 131 131 TRP N N 15 121.9 0.065 . 1 . . . . . 196 TRP N . 27776 1 282 . 1 . 1 132 132 PHE H H 1 7.297 0.032 . 1 . . . . . 197 PHE HN . 27776 1 283 . 1 . 1 132 132 PHE C C 13 173.0 0.004 . 1 . . . . . 197 PHE C . 27776 1 284 . 1 . 1 132 132 PHE CA C 13 55.76 0.077 . 1 . . . . . 197 PHE CA . 27776 1 285 . 1 . 1 132 132 PHE CB C 13 39.64 0.066 . 1 . . . . . 197 PHE CB . 27776 1 286 . 1 . 1 132 132 PHE N N 15 120.4 0.152 . 1 . . . . . 197 PHE N . 27776 1 287 . 1 . 1 133 133 GLY H H 1 8.639 0.018 . 1 . . . . . 198 GLY HN . 27776 1 288 . 1 . 1 133 133 GLY C C 13 173.5 0.018 . 1 . . . . . 198 GLY C . 27776 1 289 . 1 . 1 133 133 GLY CA C 13 46.94 0.017 . 1 . . . . . 198 GLY CA . 27776 1 290 . 1 . 1 133 133 GLY N N 15 104.8 0.043 . 1 . . . . . 198 GLY N . 27776 1 291 . 1 . 1 134 134 GLY H H 1 8.380 0.011 . 1 . . . . . 199 GLY HN . 27776 1 292 . 1 . 1 134 134 GLY C C 13 177.9 0.000 . 1 . . . . . 199 GLY C . 27776 1 293 . 1 . 1 134 134 GLY CA C 13 45.21 0.022 . 1 . . . . . 199 GLY CA . 27776 1 294 . 1 . 1 134 134 GLY N N 15 109.3 0.113 . 1 . . . . . 199 GLY N . 27776 1 295 . 1 . 1 135 135 LEU H H 1 8.786 0.023 . 1 . . . . . 200 LEU HN . 27776 1 296 . 1 . 1 135 135 LEU C C 13 178.7 0.000 . 1 . . . . . 200 LEU C . 27776 1 297 . 1 . 1 135 135 LEU CA C 13 54.74 0.005 . 1 . . . . . 200 LEU CA . 27776 1 298 . 1 . 1 135 135 LEU N N 15 119.4 0.018 . 1 . . . . . 200 LEU N . 27776 1 299 . 1 . 1 136 136 SER H H 1 8.517 0.044 . 1 . . . . . 201 SER HN . 27776 1 300 . 1 . 1 136 136 SER C C 13 176.7 0.068 . 1 . . . . . 201 SER C . 27776 1 301 . 1 . 1 136 136 SER CA C 13 63.94 0.070 . 1 . . . . . 201 SER CA . 27776 1 302 . 1 . 1 136 136 SER CB C 13 60.70 0.076 . 1 . . . . . 201 SER CB . 27776 1 303 . 1 . 1 136 136 SER N N 15 115.3 0.078 . 1 . . . . . 201 SER N . 27776 1 304 . 1 . 1 137 137 GLY H H 1 8.925 0.021 . 1 . . . . . 202 GLY HN . 27776 1 305 . 1 . 1 137 137 GLY C C 13 175.1 0.037 . 1 . . . . . 202 GLY C . 27776 1 306 . 1 . 1 137 137 GLY CA C 13 47.68 0.030 . 1 . . . . . 202 GLY CA . 27776 1 307 . 1 . 1 137 137 GLY N N 15 112.8 0.033 . 1 . . . . . 202 GLY N . 27776 1 308 . 1 . 1 138 138 VAL H H 1 8.107 0.012 . 1 . . . . . 203 VAL HN . 27776 1 309 . 1 . 1 138 138 VAL CA C 13 64.36 0.000 . 1 . . . . . 203 VAL CA . 27776 1 310 . 1 . 1 138 138 VAL CB C 13 31.41 0.000 . 1 . . . . . 203 VAL CB . 27776 1 311 . 1 . 1 138 138 VAL N N 15 123.0 0.048 . 1 . . . . . 203 VAL N . 27776 1 312 . 1 . 1 147 147 TRP C C 13 178.5 0.000 . 1 . . . . . 212 TRP C . 27776 1 313 . 1 . 1 148 148 LEU H H 1 8.417 0.007 . 1 . . . . . 213 LEU HN . 27776 1 314 . 1 . 1 148 148 LEU C C 13 179.0 0.031 . 1 . . . . . 213 LEU C . 27776 1 315 . 1 . 1 148 148 LEU CA C 13 57.31 0.035 . 1 . . . . . 213 LEU CA . 27776 1 316 . 1 . 1 148 148 LEU N N 15 117.4 0.014 . 1 . . . . . 213 LEU N . 27776 1 317 . 1 . 1 149 149 ARG H H 1 8.860 0.012 . 1 . . . . . 214 ARG HN . 27776 1 318 . 1 . 1 149 149 ARG C C 13 178.1 0.089 . 1 . . . . . 214 ARG C . 27776 1 319 . 1 . 1 149 149 ARG CA C 13 58.15 0.049 . 1 . . . . . 214 ARG CA . 27776 1 320 . 1 . 1 149 149 ARG CB C 13 27.28 0.019 . 1 . . . . . 214 ARG CB . 27776 1 321 . 1 . 1 149 149 ARG CD C 13 41.99 0.030 . 1 . . . . . 214 ARG CD . 27776 1 322 . 1 . 1 149 149 ARG N N 15 119.4 0.046 . 1 . . . . . 214 ARG N . 27776 1 323 . 1 . 1 150 150 GLY H H 1 7.732 0.029 . 1 . . . . . 215 GLY HN . 27776 1 324 . 1 . 1 150 150 GLY C C 13 176.2 0.013 . 1 . . . . . 215 GLY C . 27776 1 325 . 1 . 1 150 150 GLY CA C 13 48.10 0.014 . 1 . . . . . 215 GLY CA . 27776 1 326 . 1 . 1 150 150 GLY N N 15 104.4 0.073 . 1 . . . . . 215 GLY N . 27776 1 327 . 1 . 1 151 151 GLU H H 1 7.384 0.021 . 1 . . . . . 216 GLU HN . 27776 1 328 . 1 . 1 151 151 GLU C C 13 178.8 0.025 . 1 . . . . . 216 GLU C . 27776 1 329 . 1 . 1 151 151 GLU CA C 13 57.42 0.024 . 1 . . . . . 216 GLU CA . 27776 1 330 . 1 . 1 151 151 GLU CB C 13 29.40 0.099 . 1 . . . . . 216 GLU CB . 27776 1 331 . 1 . 1 151 151 GLU N N 15 117.4 0.087 . 1 . . . . . 216 GLU N . 27776 1 332 . 1 . 1 152 152 ARG H H 1 8.272 0.044 . 1 . . . . . 217 ARG HN . 27776 1 333 . 1 . 1 152 152 ARG C C 13 176.2 0.048 . 1 . . . . . 217 ARG C . 27776 1 334 . 1 . 1 152 152 ARG CA C 13 56.46 0.153 . 1 . . . . . 217 ARG CA . 27776 1 335 . 1 . 1 152 152 ARG CB C 13 30.13 0.000 . 1 . . . . . 217 ARG CB . 27776 1 336 . 1 . 1 152 152 ARG N N 15 114.7 0.201 . 1 . . . . . 217 ARG N . 27776 1 337 . 1 . 1 153 153 ASP H H 1 8.459 0.035 . 1 . . . . . 218 ASP HN . 27776 1 338 . 1 . 1 153 153 ASP C C 13 172.8 0.000 . 1 . . . . . 218 ASP C . 27776 1 339 . 1 . 1 153 153 ASP CA C 13 51.44 0.036 . 1 . . . . . 218 ASP CA . 27776 1 340 . 1 . 1 153 153 ASP CB C 13 41.45 0.000 . 1 . . . . . 218 ASP CB . 27776 1 341 . 1 . 1 153 153 ASP N N 15 118.0 0.140 . 1 . . . . . 218 ASP N . 27776 1 342 . 1 . 1 154 154 PRO C C 13 178.7 0.000 . 1 . . . . . 219 PRO C . 27776 1 343 . 1 . 1 154 154 PRO CA C 13 64.53 0.024 . 1 . . . . . 219 PRO CA . 27776 1 344 . 1 . 1 155 155 GLN H H 1 8.177 0.034 . 1 . . . . . 220 GLN HN . 27776 1 345 . 1 . 1 155 155 GLN C C 13 176.3 0.023 . 1 . . . . . 220 GLN C . 27776 1 346 . 1 . 1 155 155 GLN CA C 13 56.97 0.046 . 1 . . . . . 220 GLN CA . 27776 1 347 . 1 . 1 155 155 GLN CB C 13 26.88 0.070 . 1 . . . . . 220 GLN CB . 27776 1 348 . 1 . 1 155 155 GLN N N 15 116.0 0.153 . 1 . . . . . 220 GLN N . 27776 1 349 . 1 . 1 156 156 SER H H 1 7.880 0.049 . 1 . . . . . 221 SER HN . 27776 1 350 . 1 . 1 156 156 SER C C 13 176.2 0.029 . 1 . . . . . 221 SER C . 27776 1 351 . 1 . 1 156 156 SER CA C 13 60.56 0.117 . 1 . . . . . 221 SER CA . 27776 1 352 . 1 . 1 156 156 SER CB C 13 63.48 0.034 . 1 . . . . . 221 SER CB . 27776 1 353 . 1 . 1 156 156 SER N N 15 115.8 0.137 . 1 . . . . . 221 SER N . 27776 1 354 . 1 . 1 157 157 GLY H H 1 7.929 0.006 . 1 . . . . . 222 GLY HN . 27776 1 355 . 1 . 1 157 157 GLY C C 13 173.5 0.019 . 1 . . . . . 222 GLY C . 27776 1 356 . 1 . 1 157 157 GLY CA C 13 45.43 0.062 . 1 . . . . . 222 GLY CA . 27776 1 357 . 1 . 1 157 157 GLY N N 15 107.3 0.093 . 1 . . . . . 222 GLY N . 27776 1 358 . 1 . 1 158 158 ILE H H 1 7.933 0.018 . 1 . . . . . 223 ILE HN . 27776 1 359 . 1 . 1 158 158 ILE C C 13 173.7 0.050 . 1 . . . . . 223 ILE C . 27776 1 360 . 1 . 1 158 158 ILE CA C 13 58.34 0.077 . 1 . . . . . 223 ILE CA . 27776 1 361 . 1 . 1 158 158 ILE N N 15 120.2 0.066 . 1 . . . . . 223 ILE N . 27776 1 362 . 1 . 1 159 159 TYR H H 1 7.763 0.035 . 1 . . . . . 224 TYR HN . 27776 1 363 . 1 . 1 159 159 TYR C C 13 173.2 0.036 . 1 . . . . . 224 TYR C . 27776 1 364 . 1 . 1 159 159 TYR CA C 13 56.57 0.047 . 1 . . . . . 224 TYR CA . 27776 1 365 . 1 . 1 159 159 TYR CB C 13 38.38 0.000 . 1 . . . . . 224 TYR CB . 27776 1 366 . 1 . 1 159 159 TYR N N 15 119.5 0.038 . 1 . . . . . 224 TYR N . 27776 1 367 . 1 . 1 160 160 LEU H H 1 9.112 0.017 . 1 . . . . . 225 LEU HN . 27776 1 368 . 1 . 1 160 160 LEU C C 13 174.7 0.037 . 1 . . . . . 225 LEU C . 27776 1 369 . 1 . 1 160 160 LEU CA C 13 53.11 0.060 . 1 . . . . . 225 LEU CA . 27776 1 370 . 1 . 1 160 160 LEU N N 15 125.2 0.098 . 1 . . . . . 225 LEU N . 27776 1 371 . 1 . 1 163 163 GLY C C 13 174.9 0.000 . 1 . . . . . 228 GLY C . 27776 1 372 . 1 . 1 163 163 GLY CA C 13 45.25 0.000 . 1 . . . . . 228 GLY CA . 27776 1 373 . 1 . 1 164 164 LEU H H 1 6.987 0.014 . 1 . . . . . 229 LEU HN . 27776 1 374 . 1 . 1 164 164 LEU C C 13 179.6 0.034 . 1 . . . . . 229 LEU C . 27776 1 375 . 1 . 1 164 164 LEU CA C 13 55.64 0.068 . 1 . . . . . 229 LEU CA . 27776 1 376 . 1 . 1 164 164 LEU CB C 13 40.60 0.000 . 1 . . . . . 229 LEU CB . 27776 1 377 . 1 . 1 164 164 LEU N N 15 116.4 0.334 . 1 . . . . . 229 LEU N . 27776 1 378 . 1 . 1 165 165 ILE H H 1 8.096 0.011 . 1 . . . . . 230 ILE HN . 27776 1 379 . 1 . 1 165 165 ILE C C 13 177.6 0.025 . 1 . . . . . 230 ILE C . 27776 1 380 . 1 . 1 165 165 ILE CA C 13 65.83 0.050 . 1 . . . . . 230 ILE CA . 27776 1 381 . 1 . 1 165 165 ILE CB C 13 36.27 0.000 . 1 . . . . . 230 ILE CB . 27776 1 382 . 1 . 1 165 165 ILE N N 15 122.2 0.058 . 1 . . . . . 230 ILE N . 27776 1 383 . 1 . 1 166 166 ILE H H 1 7.235 0.016 . 1 . . . . . 231 ILE HN . 27776 1 384 . 1 . 1 166 166 ILE C C 13 176.9 0.030 . 1 . . . . . 231 ILE C . 27776 1 385 . 1 . 1 166 166 ILE CA C 13 65.20 0.074 . 1 . . . . . 231 ILE CA . 27776 1 386 . 1 . 1 166 166 ILE CB C 13 36.71 0.046 . 1 . . . . . 231 ILE CB . 27776 1 387 . 1 . 1 166 166 ILE N N 15 115.7 0.045 . 1 . . . . . 231 ILE N . 27776 1 388 . 1 . 1 167 167 PHE H H 1 6.924 0.022 . 1 . . . . . 232 PHE HN . 27776 1 389 . 1 . 1 167 167 PHE C C 13 177.7 0.029 . 1 . . . . . 232 PHE C . 27776 1 390 . 1 . 1 167 167 PHE CA C 13 62.01 0.094 . 1 . . . . . 232 PHE CA . 27776 1 391 . 1 . 1 167 167 PHE CB C 13 38.11 0.063 . 1 . . . . . 232 PHE CB . 27776 1 392 . 1 . 1 167 167 PHE N N 15 115.0 0.105 . 1 . . . . . 232 PHE N . 27776 1 393 . 1 . 1 168 168 ALA H H 1 9.348 0.022 . 1 . . . . . 233 ALA HN . 27776 1 394 . 1 . 1 168 168 ALA CA C 13 55.55 0.036 . 1 . . . . . 233 ALA CA . 27776 1 395 . 1 . 1 168 168 ALA CB C 13 16.31 0.023 . 1 . . . . . 233 ALA CB . 27776 1 396 . 1 . 1 168 168 ALA N N 15 125.9 0.062 . 1 . . . . . 233 ALA N . 27776 1 397 . 1 . 1 171 171 TRP C C 13 177.4 0.000 . 1 . . . . . 236 TRP C . 27776 1 398 . 1 . 1 171 171 TRP CA C 13 57.81 0.000 . 1 . . . . . 236 TRP CA . 27776 1 399 . 1 . 1 171 171 TRP CB C 13 33.25 0.000 . 1 . . . . . 236 TRP CB . 27776 1 400 . 1 . 1 172 172 ILE H H 1 7.648 0.022 . 1 . . . . . 237 ILE HN . 27776 1 401 . 1 . 1 172 172 ILE CA C 13 63.85 0.010 . 1 . . . . . 237 ILE CA . 27776 1 402 . 1 . 1 172 172 ILE CB C 13 36.24 0.000 . 1 . . . . . 237 ILE CB . 27776 1 403 . 1 . 1 172 172 ILE N N 15 113.2 0.049 . 1 . . . . . 237 ILE N . 27776 1 404 . 1 . 1 173 173 VAL C C 13 177.7 0.000 . 1 . . . . . 238 VAL C . 27776 1 405 . 1 . 1 173 173 VAL CA C 13 66.67 0.000 . 1 . . . . . 238 VAL CA . 27776 1 406 . 1 . 1 174 174 ALA H H 1 8.840 0.018 . 1 . . . . . 239 ALA HN . 27776 1 407 . 1 . 1 174 174 ALA C C 13 180.5 0.024 . 1 . . . . . 239 ALA C . 27776 1 408 . 1 . 1 174 174 ALA CA C 13 54.83 0.029 . 1 . . . . . 239 ALA CA . 27776 1 409 . 1 . 1 174 174 ALA CB C 13 18.14 0.000 . 1 . . . . . 239 ALA CB . 27776 1 410 . 1 . 1 174 174 ALA N N 15 118.1 0.064 . 1 . . . . . 239 ALA N . 27776 1 411 . 1 . 1 175 175 GLY H H 1 8.137 0.049 . 1 . . . . . 240 GLY HN . 27776 1 412 . 1 . 1 175 175 GLY C C 13 177.4 0.011 . 1 . . . . . 240 GLY C . 27776 1 413 . 1 . 1 175 175 GLY CA C 13 46.43 0.050 . 1 . . . . . 240 GLY CA . 27776 1 414 . 1 . 1 175 175 GLY N N 15 105.7 0.139 . 1 . . . . . 240 GLY N . 27776 1 415 . 1 . 1 176 176 TRP H H 1 8.415 0.026 . 1 . . . . . 241 TRP HN . 27776 1 416 . 1 . 1 176 176 TRP C C 13 177.4 0.000 . 1 . . . . . 241 TRP C . 27776 1 417 . 1 . 1 176 176 TRP CA C 13 58.92 0.129 . 1 . . . . . 241 TRP CA . 27776 1 418 . 1 . 1 176 176 TRP CB C 13 28.24 0.085 . 1 . . . . . 241 TRP CB . 27776 1 419 . 1 . 1 176 176 TRP N N 15 126.0 0.054 . 1 . . . . . 241 TRP N . 27776 1 420 . 1 . 1 185 185 ALA H H 1 10.72 0.038 . 1 . . . . . 250 ALA HN . 27776 1 421 . 1 . 1 185 185 ALA C C 13 178.4 0.012 . 1 . . . . . 250 ALA C . 27776 1 422 . 1 . 1 185 185 ALA CA C 13 50.70 0.110 . 1 . . . . . 250 ALA CA . 27776 1 423 . 1 . 1 185 185 ALA CB C 13 17.25 0.000 . 1 . . . . . 250 ALA CB . 27776 1 424 . 1 . 1 185 185 ALA N N 15 130.8 0.049 . 1 . . . . . 250 ALA N . 27776 1 425 . 1 . 1 186 186 ASN H H 1 8.691 0.008 . 1 . . . . . 251 ASN HN . 27776 1 426 . 1 . 1 186 186 ASN C C 13 178.8 0.071 . 1 . . . . . 251 ASN C . 27776 1 427 . 1 . 1 186 186 ASN CA C 13 55.56 0.052 . 1 . . . . . 251 ASN CA . 27776 1 428 . 1 . 1 186 186 ASN CB C 13 35.78 0.018 . 1 . . . . . 251 ASN CB . 27776 1 429 . 1 . 1 186 186 ASN N N 15 121.3 0.127 . 1 . . . . . 251 ASN N . 27776 1 430 . 1 . 1 187 187 GLY H H 1 8.964 0.026 . 1 . . . . . 252 GLY HN . 27776 1 431 . 1 . 1 187 187 GLY C C 13 174.6 0.029 . 1 . . . . . 252 GLY C . 27776 1 432 . 1 . 1 187 187 GLY CA C 13 46.98 0.021 . 1 . . . . . 252 GLY CA . 27776 1 433 . 1 . 1 187 187 GLY N N 15 104.1 0.205 . 1 . . . . . 252 GLY N . 27776 1 434 . 1 . 1 188 188 ALA H H 1 7.082 0.022 . 1 . . . . . 253 ALA HN . 27776 1 435 . 1 . 1 188 188 ALA C C 13 179.9 0.014 . 1 . . . . . 253 ALA C . 27776 1 436 . 1 . 1 188 188 ALA CA C 13 54.76 0.024 . 1 . . . . . 253 ALA CA . 27776 1 437 . 1 . 1 188 188 ALA CB C 13 18.32 0.000 . 1 . . . . . 253 ALA CB . 27776 1 438 . 1 . 1 188 188 ALA N N 15 122.7 0.087 . 1 . . . . . 253 ALA N . 27776 1 439 . 1 . 1 189 189 HIS H H 1 7.202 0.033 . 1 . . . . . 254 HIS HN . 27776 1 440 . 1 . 1 189 189 HIS C C 13 177.2 0.049 . 1 . . . . . 254 HIS C . 27776 1 441 . 1 . 1 189 189 HIS CA C 13 57.11 0.034 . 1 . . . . . 254 HIS CA . 27776 1 442 . 1 . 1 189 189 HIS CB C 13 27.14 0.036 . 1 . . . . . 254 HIS CB . 27776 1 443 . 1 . 1 189 189 HIS N N 15 118.3 0.177 . 1 . . . . . 254 HIS N . 27776 1 444 . 1 . 1 190 190 ILE H H 1 8.474 0.020 . 1 . . . . . 255 ILE HN . 27776 1 445 . 1 . 1 190 190 ILE C C 13 177.1 0.046 . 1 . . . . . 255 ILE C . 27776 1 446 . 1 . 1 190 190 ILE CA C 13 63.76 0.172 . 1 . . . . . 255 ILE CA . 27776 1 447 . 1 . 1 190 190 ILE CB C 13 35.81 0.000 . 1 . . . . . 255 ILE CB . 27776 1 448 . 1 . 1 190 190 ILE N N 15 118.6 0.075 . 1 . . . . . 255 ILE N . 27776 1 449 . 1 . 1 191 191 ALA H H 1 8.092 0.017 . 1 . . . . . 256 ALA HN . 27776 1 450 . 1 . 1 191 191 ALA C C 13 178.9 0.023 . 1 . . . . . 256 ALA C . 27776 1 451 . 1 . 1 191 191 ALA CA C 13 55.35 0.045 . 1 . . . . . 256 ALA CA . 27776 1 452 . 1 . 1 191 191 ALA CB C 13 17.35 0.000 . 1 . . . . . 256 ALA CB . 27776 1 453 . 1 . 1 191 191 ALA N N 15 121.4 0.080 . 1 . . . . . 256 ALA N . 27776 1 454 . 1 . 1 192 192 GLY H H 1 7.988 0.030 . 1 . . . . . 257 GLY HN . 27776 1 455 . 1 . 1 192 192 GLY C C 13 174.9 0.044 . 1 . . . . . 257 GLY C . 27776 1 456 . 1 . 1 192 192 GLY CA C 13 47.41 0.067 . 1 . . . . . 257 GLY CA . 27776 1 457 . 1 . 1 192 192 GLY N N 15 102.2 0.054 . 1 . . . . . 257 GLY N . 27776 1 458 . 1 . 1 193 193 LEU H H 1 8.785 0.001 . 1 . . . . . 258 LEU HN . 27776 1 459 . 1 . 1 193 193 LEU N N 15 122.2 0.000 . 1 . . . . . 258 LEU N . 27776 1 stop_ save_