data_27312 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27312 _Entry.Title ; Partial solid-state NMR 1H, 13C, 15N resonance assignments of a perdeuterated back-exchanged seven-transmembrane helical protein Anabaena Sensory Rhodopsin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-13 _Entry.Accession_date 2017-11-13 _Entry.Last_release_date 2017-11-13 _Entry.Original_release_date 2017-11-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 David Bolton . R. . . 27312 2 Leonid Brown . . . . 27312 3 Vladimir Ladizhansky . . . . 27312 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Guelph' . 27312 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27312 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 186 27312 '15N chemical shifts' 95 27312 '1H chemical shifts' 95 27312 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 . . 2018-09-19 2017-11-13 update BMRB 'update entry citation' 27312 1 . . 2018-03-29 2017-11-13 original author 'original release' 27312 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27312 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29572785 _Citation.Full_citation . _Citation.Title ; Partial solid-state NMR 1H, 13C, 15N resonance assignments of a perdeuterated back-exchanged seven-transmembrane helical protein Anabaena Sensory Rhodopsin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 237 _Citation.Page_last 242 _Citation.Year 2018 _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 David Bolton . . . . 27312 1 2 Leonid Brown . . . . 27312 1 3 Vladimir Ladizhansky . . . . 27312 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27312 _Assembly.ID 1 _Assembly.Name 'ASR trimer' _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 'ASR, chain 1' 1 $ASR A . yes native no no . . . 27312 1 2 'ASR, chain 2' 1 $ASR B . yes native no no . . . 27312 1 3 'ASR, chain 3' 1 $ASR C . yes native no no . . . 27312 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ASR _Entity.Sf_category entity _Entity.Sf_framecode ASR _Entity.Entry_ID 27312 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ASR _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 ; MNLESLLHWIYVAGMTIGAL HFWSLSRNPRGVPQYEYLVA MFIPIWSGLAYMAMAIDQGK VEAAGQIAHYARYIDWMVTT PLLLLSLSWTAMQFIKKDWT LIGFLMSTQIVVITSGLIAD LSERDWVRYLWYICGVCAFL IILWGIWNPLRAKTRTQSSE LANLYDKLVTYFTVLWIGYP IVWIIGPSGFGWINQTIDTF LFCLLPFFSKVGFSFLDLHG LRNLNDSRQHHHHHH ; _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 235 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . 27312 1 2 . ASN . 27312 1 3 . LEU . 27312 1 4 . GLU . 27312 1 5 . SER . 27312 1 6 . LEU . 27312 1 7 . LEU . 27312 1 8 . HIS . 27312 1 9 . TRP . 27312 1 10 . ILE . 27312 1 11 . TYR . 27312 1 12 . VAL . 27312 1 13 . ALA . 27312 1 14 . GLY . 27312 1 15 . MET . 27312 1 16 . THR . 27312 1 17 . ILE . 27312 1 18 . GLY . 27312 1 19 . ALA . 27312 1 20 . LEU . 27312 1 21 . HIS . 27312 1 22 . PHE . 27312 1 23 . TRP . 27312 1 24 . SER . 27312 1 25 . LEU . 27312 1 26 . SER . 27312 1 27 . ARG . 27312 1 28 . ASN . 27312 1 29 . PRO . 27312 1 30 . ARG . 27312 1 31 . GLY . 27312 1 32 . VAL . 27312 1 33 . PRO . 27312 1 34 . GLN . 27312 1 35 . TYR . 27312 1 36 . GLU . 27312 1 37 . TYR . 27312 1 38 . LEU . 27312 1 39 . VAL . 27312 1 40 . ALA . 27312 1 41 . MET . 27312 1 42 . PHE . 27312 1 43 . ILE . 27312 1 44 . PRO . 27312 1 45 . ILE . 27312 1 46 . TRP . 27312 1 47 . SER . 27312 1 48 . GLY . 27312 1 49 . LEU . 27312 1 50 . ALA . 27312 1 51 . TYR . 27312 1 52 . MET . 27312 1 53 . ALA . 27312 1 54 . MET . 27312 1 55 . ALA . 27312 1 56 . ILE . 27312 1 57 . ASP . 27312 1 58 . GLN . 27312 1 59 . GLY . 27312 1 60 . LYS . 27312 1 61 . VAL . 27312 1 62 . GLU . 27312 1 63 . ALA . 27312 1 64 . ALA . 27312 1 65 . GLY . 27312 1 66 . GLN . 27312 1 67 . ILE . 27312 1 68 . ALA . 27312 1 69 . HIS . 27312 1 70 . TYR . 27312 1 71 . ALA . 27312 1 72 . ARG . 27312 1 73 . TYR . 27312 1 74 . ILE . 27312 1 75 . ASP . 27312 1 76 . TRP . 27312 1 77 . MET . 27312 1 78 . VAL . 27312 1 79 . THR . 27312 1 80 . THR . 27312 1 81 . PRO . 27312 1 82 . LEU . 27312 1 83 . LEU . 27312 1 84 . LEU . 27312 1 85 . LEU . 27312 1 86 . SER . 27312 1 87 . LEU . 27312 1 88 . SER . 27312 1 89 . TRP . 27312 1 90 . THR . 27312 1 91 . ALA . 27312 1 92 . MET . 27312 1 93 . GLN . 27312 1 94 . PHE . 27312 1 95 . ILE . 27312 1 96 . LYS . 27312 1 97 . LYS . 27312 1 98 . ASP . 27312 1 99 . TRP . 27312 1 100 . THR . 27312 1 101 . LEU . 27312 1 102 . ILE . 27312 1 103 . GLY . 27312 1 104 . PHE . 27312 1 105 . LEU . 27312 1 106 . MET . 27312 1 107 . SER . 27312 1 108 . THR . 27312 1 109 . GLN . 27312 1 110 . ILE . 27312 1 111 . VAL . 27312 1 112 . VAL . 27312 1 113 . ILE . 27312 1 114 . THR . 27312 1 115 . SER . 27312 1 116 . GLY . 27312 1 117 . LEU . 27312 1 118 . ILE . 27312 1 119 . ALA . 27312 1 120 . ASP . 27312 1 121 . LEU . 27312 1 122 . SER . 27312 1 123 . GLU . 27312 1 124 . ARG . 27312 1 125 . ASP . 27312 1 126 . TRP . 27312 1 127 . VAL . 27312 1 128 . ARG . 27312 1 129 . TYR . 27312 1 130 . LEU . 27312 1 131 . TRP . 27312 1 132 . TYR . 27312 1 133 . ILE . 27312 1 134 . CYS . 27312 1 135 . GLY . 27312 1 136 . VAL . 27312 1 137 . CYS . 27312 1 138 . ALA . 27312 1 139 . PHE . 27312 1 140 . LEU . 27312 1 141 . ILE . 27312 1 142 . ILE . 27312 1 143 . LEU . 27312 1 144 . TRP . 27312 1 145 . GLY . 27312 1 146 . ILE . 27312 1 147 . TRP . 27312 1 148 . ASN . 27312 1 149 . PRO . 27312 1 150 . LEU . 27312 1 151 . ARG . 27312 1 152 . ALA . 27312 1 153 . LYS . 27312 1 154 . THR . 27312 1 155 . ARG . 27312 1 156 . THR . 27312 1 157 . GLN . 27312 1 158 . SER . 27312 1 159 . SER . 27312 1 160 . GLU . 27312 1 161 . LEU . 27312 1 162 . ALA . 27312 1 163 . ASN . 27312 1 164 . LEU . 27312 1 165 . TYR . 27312 1 166 . ASP . 27312 1 167 . LYS . 27312 1 168 . LEU . 27312 1 169 . VAL . 27312 1 170 . THR . 27312 1 171 . TYR . 27312 1 172 . PHE . 27312 1 173 . THR . 27312 1 174 . VAL . 27312 1 175 . LEU . 27312 1 176 . TRP . 27312 1 177 . ILE . 27312 1 178 . GLY . 27312 1 179 . TYR . 27312 1 180 . PRO . 27312 1 181 . ILE . 27312 1 182 . VAL . 27312 1 183 . TRP . 27312 1 184 . ILE . 27312 1 185 . ILE . 27312 1 186 . GLY . 27312 1 187 . PRO . 27312 1 188 . SER . 27312 1 189 . GLY . 27312 1 190 . PHE . 27312 1 191 . GLY . 27312 1 192 . TRP . 27312 1 193 . ILE . 27312 1 194 . ASN . 27312 1 195 . GLN . 27312 1 196 . THR . 27312 1 197 . ILE . 27312 1 198 . ASP . 27312 1 199 . THR . 27312 1 200 . PHE . 27312 1 201 . LEU . 27312 1 202 . PHE . 27312 1 203 . CYS . 27312 1 204 . LEU . 27312 1 205 . LEU . 27312 1 206 . PRO . 27312 1 207 . PHE . 27312 1 208 . PHE . 27312 1 209 . SER . 27312 1 210 . LYS . 27312 1 211 . VAL . 27312 1 212 . GLY . 27312 1 213 . PHE . 27312 1 214 . SER . 27312 1 215 . PHE . 27312 1 216 . LEU . 27312 1 217 . ASP . 27312 1 218 . LEU . 27312 1 219 . HIS . 27312 1 220 . GLY . 27312 1 221 . LEU . 27312 1 222 . ARG . 27312 1 223 . ASN . 27312 1 224 . LEU . 27312 1 225 . ASN . 27312 1 226 . ASP . 27312 1 227 . SER . 27312 1 228 . ARG . 27312 1 229 . GLN . 27312 1 230 . HIS . 27312 1 231 . HIS . 27312 1 232 . HIS . 27312 1 233 . HIS . 27312 1 234 . HIS . 27312 1 235 . HIS . 27312 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 27312 1 . ASN 2 2 27312 1 . LEU 3 3 27312 1 . GLU 4 4 27312 1 . SER 5 5 27312 1 . LEU 6 6 27312 1 . LEU 7 7 27312 1 . HIS 8 8 27312 1 . TRP 9 9 27312 1 . ILE 10 10 27312 1 . TYR 11 11 27312 1 . VAL 12 12 27312 1 . ALA 13 13 27312 1 . GLY 14 14 27312 1 . MET 15 15 27312 1 . THR 16 16 27312 1 . ILE 17 17 27312 1 . GLY 18 18 27312 1 . ALA 19 19 27312 1 . LEU 20 20 27312 1 . HIS 21 21 27312 1 . PHE 22 22 27312 1 . TRP 23 23 27312 1 . SER 24 24 27312 1 . LEU 25 25 27312 1 . SER 26 26 27312 1 . ARG 27 27 27312 1 . ASN 28 28 27312 1 . PRO 29 29 27312 1 . ARG 30 30 27312 1 . GLY 31 31 27312 1 . VAL 32 32 27312 1 . PRO 33 33 27312 1 . GLN 34 34 27312 1 . TYR 35 35 27312 1 . GLU 36 36 27312 1 . TYR 37 37 27312 1 . LEU 38 38 27312 1 . VAL 39 39 27312 1 . ALA 40 40 27312 1 . MET 41 41 27312 1 . PHE 42 42 27312 1 . ILE 43 43 27312 1 . PRO 44 44 27312 1 . ILE 45 45 27312 1 . TRP 46 46 27312 1 . SER 47 47 27312 1 . GLY 48 48 27312 1 . LEU 49 49 27312 1 . ALA 50 50 27312 1 . TYR 51 51 27312 1 . MET 52 52 27312 1 . ALA 53 53 27312 1 . MET 54 54 27312 1 . ALA 55 55 27312 1 . ILE 56 56 27312 1 . ASP 57 57 27312 1 . GLN 58 58 27312 1 . GLY 59 59 27312 1 . LYS 60 60 27312 1 . VAL 61 61 27312 1 . GLU 62 62 27312 1 . ALA 63 63 27312 1 . ALA 64 64 27312 1 . GLY 65 65 27312 1 . GLN 66 66 27312 1 . ILE 67 67 27312 1 . ALA 68 68 27312 1 . HIS 69 69 27312 1 . TYR 70 70 27312 1 . ALA 71 71 27312 1 . ARG 72 72 27312 1 . TYR 73 73 27312 1 . ILE 74 74 27312 1 . ASP 75 75 27312 1 . TRP 76 76 27312 1 . MET 77 77 27312 1 . VAL 78 78 27312 1 . THR 79 79 27312 1 . THR 80 80 27312 1 . PRO 81 81 27312 1 . LEU 82 82 27312 1 . LEU 83 83 27312 1 . LEU 84 84 27312 1 . LEU 85 85 27312 1 . SER 86 86 27312 1 . LEU 87 87 27312 1 . SER 88 88 27312 1 . TRP 89 89 27312 1 . THR 90 90 27312 1 . ALA 91 91 27312 1 . MET 92 92 27312 1 . GLN 93 93 27312 1 . PHE 94 94 27312 1 . ILE 95 95 27312 1 . LYS 96 96 27312 1 . LYS 97 97 27312 1 . ASP 98 98 27312 1 . TRP 99 99 27312 1 . THR 100 100 27312 1 . LEU 101 101 27312 1 . ILE 102 102 27312 1 . GLY 103 103 27312 1 . PHE 104 104 27312 1 . LEU 105 105 27312 1 . MET 106 106 27312 1 . SER 107 107 27312 1 . THR 108 108 27312 1 . GLN 109 109 27312 1 . ILE 110 110 27312 1 . VAL 111 111 27312 1 . VAL 112 112 27312 1 . ILE 113 113 27312 1 . THR 114 114 27312 1 . SER 115 115 27312 1 . GLY 116 116 27312 1 . LEU 117 117 27312 1 . ILE 118 118 27312 1 . ALA 119 119 27312 1 . ASP 120 120 27312 1 . LEU 121 121 27312 1 . SER 122 122 27312 1 . GLU 123 123 27312 1 . ARG 124 124 27312 1 . ASP 125 125 27312 1 . TRP 126 126 27312 1 . VAL 127 127 27312 1 . ARG 128 128 27312 1 . TYR 129 129 27312 1 . LEU 130 130 27312 1 . TRP 131 131 27312 1 . TYR 132 132 27312 1 . ILE 133 133 27312 1 . CYS 134 134 27312 1 . GLY 135 135 27312 1 . VAL 136 136 27312 1 . CYS 137 137 27312 1 . ALA 138 138 27312 1 . PHE 139 139 27312 1 . LEU 140 140 27312 1 . ILE 141 141 27312 1 . ILE 142 142 27312 1 . LEU 143 143 27312 1 . TRP 144 144 27312 1 . GLY 145 145 27312 1 . ILE 146 146 27312 1 . TRP 147 147 27312 1 . ASN 148 148 27312 1 . PRO 149 149 27312 1 . LEU 150 150 27312 1 . ARG 151 151 27312 1 . ALA 152 152 27312 1 . LYS 153 153 27312 1 . THR 154 154 27312 1 . ARG 155 155 27312 1 . THR 156 156 27312 1 . GLN 157 157 27312 1 . SER 158 158 27312 1 . SER 159 159 27312 1 . GLU 160 160 27312 1 . LEU 161 161 27312 1 . ALA 162 162 27312 1 . ASN 163 163 27312 1 . LEU 164 164 27312 1 . TYR 165 165 27312 1 . ASP 166 166 27312 1 . LYS 167 167 27312 1 . LEU 168 168 27312 1 . VAL 169 169 27312 1 . THR 170 170 27312 1 . TYR 171 171 27312 1 . PHE 172 172 27312 1 . THR 173 173 27312 1 . VAL 174 174 27312 1 . LEU 175 175 27312 1 . TRP 176 176 27312 1 . ILE 177 177 27312 1 . GLY 178 178 27312 1 . TYR 179 179 27312 1 . PRO 180 180 27312 1 . ILE 181 181 27312 1 . VAL 182 182 27312 1 . TRP 183 183 27312 1 . ILE 184 184 27312 1 . ILE 185 185 27312 1 . GLY 186 186 27312 1 . PRO 187 187 27312 1 . SER 188 188 27312 1 . GLY 189 189 27312 1 . PHE 190 190 27312 1 . GLY 191 191 27312 1 . TRP 192 192 27312 1 . ILE 193 193 27312 1 . ASN 194 194 27312 1 . GLN 195 195 27312 1 . THR 196 196 27312 1 . ILE 197 197 27312 1 . ASP 198 198 27312 1 . THR 199 199 27312 1 . PHE 200 200 27312 1 . LEU 201 201 27312 1 . PHE 202 202 27312 1 . CYS 203 203 27312 1 . LEU 204 204 27312 1 . LEU 205 205 27312 1 . PRO 206 206 27312 1 . PHE 207 207 27312 1 . PHE 208 208 27312 1 . SER 209 209 27312 1 . LYS 210 210 27312 1 . VAL 211 211 27312 1 . GLY 212 212 27312 1 . PHE 213 213 27312 1 . SER 214 214 27312 1 . PHE 215 215 27312 1 . LEU 216 216 27312 1 . ASP 217 217 27312 1 . LEU 218 218 27312 1 . HIS 219 219 27312 1 . GLY 220 220 27312 1 . LEU 221 221 27312 1 . ARG 222 222 27312 1 . ASN 223 223 27312 1 . LEU 224 224 27312 1 . ASN 225 225 27312 1 . ASP 226 226 27312 1 . SER 227 227 27312 1 . ARG 228 228 27312 1 . GLN 229 229 27312 1 . HIS 230 230 27312 1 . HIS 231 231 27312 1 . HIS 232 232 27312 1 . HIS 233 233 27312 1 . HIS 234 234 27312 1 . HIS 235 235 27312 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 27312 _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 $ASR . 264691 organism . 'Anabaena variabilis' 'Anabaena variabilis' . . Bacteria . Anabaena variabilis . . . . . . . . . . . . . 27312 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 27312 _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 $ASR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pKJ606 . . . 27312 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_UCND_ASR _Sample.Sf_category sample _Sample.Sf_framecode UCND_ASR _Sample.Entry_ID 27312 _Sample.ID 1 _Sample.Type liposome _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 'Anabaena Sensory Rhodopsin' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $ASR . . 1 . . mg . . . . 27312 1 stop_ save_ save_RAP_ASR _Sample.Sf_category sample _Sample.Sf_framecode RAP_ASR _Sample.Entry_ID 27312 _Sample.ID 2 _Sample.Type liposome _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Anabaena Sensory Rhodopsin' '[U-100% 13C; U-100% 15N, 15% 2H]' . . 1 $ASR . . 1 . . mg . . . . 27312 2 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 27312 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 9 . pH 27312 1 temperature 273 . K 27312 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27312 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27312 1 'Keller and Wuthrich' . . 27312 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27312 1 processing 27312 1 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 27312 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27312 _NMR_spectrometer_list.ID 1 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 . 800 . . . 27312 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 27312 _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 CONH' no . . . . . . . . . . 1 $UCND_ASR isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27312 1 2 '3D CANH' no . . . . . . . . . . 1 $UCND_ASR isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27312 1 3 '3D (CO)CA(CO)NH' no . . . . . . . . . . 1 $UCND_ASR isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27312 1 4 '3D CO(CA)NH' no . . . . . . . . . . 1 $UCND_ASR isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27312 1 5 '3D CONH' no . . . . . . . . . . 2 $RAP_ASR isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27312 1 6 '3D CANH' no . . . . . . . . . . 2 $RAP_ASR isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27312 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 27312 _Chem_shift_reference.ID 1 _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 carbon . . . . ppm 0 external indirect 1.0 . . . . . 27312 1 H 1 DSS protons . . . . ppm 0 external direct 3.976941392 . . . . . 27312 1 N 15 DSS nitrogen . . . . ppm 0 external indirect 0.402979940 . . . . . 27312 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 27312 _Assigned_chem_shift_list.ID 1 _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 '3D CONH' . . . 27312 1 2 '3D CANH' . . . 27312 1 3 '3D (CO)CA(CO)NH' . . . 27312 1 4 '3D CO(CA)NH' . . . 27312 1 5 '3D CONH' . . . 27312 1 6 '3D CANH' . . . 27312 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 LEU C C 13 177 0.25 . 1 . . . . . 6 LEU C . 27312 1 2 . 1 1 7 7 LEU H H 1 8.525 0.15 . 1 . . . . . 7 LEU H . 27312 1 3 . 1 1 7 7 LEU C C 13 178.37 0.25 . 1 . . . . . 7 LEU C . 27312 1 4 . 1 1 7 7 LEU CA C 13 58.252 0.25 . 1 . . . . . 7 LEU CA . 27312 1 5 . 1 1 7 7 LEU N N 15 116.82 0.3 . 1 . . . . . 7 LEU N . 27312 1 6 . 1 1 8 8 HIS H H 1 8.173 0.15 . 1 . . . . . 8 HIS H . 27312 1 7 . 1 1 8 8 HIS CA C 13 63.134 0.25 . 1 . . . . . 8 HIS CA . 27312 1 8 . 1 1 8 8 HIS N N 15 115.06 0.3 . 1 . . . . . 8 HIS N . 27312 1 9 . 1 1 13 13 ALA C C 13 179.83 0.25 . 1 . . . . . 13 ALA C . 27312 1 10 . 1 1 14 14 GLY H H 1 8.553 0.15 . 1 . . . . . 14 GLY H . 27312 1 11 . 1 1 14 14 GLY CA C 13 47.315 0.25 . 1 . . . . . 14 GLY CA . 27312 1 12 . 1 1 14 14 GLY N N 15 106.2 0.3 . 1 . . . . . 14 GLY N . 27312 1 13 . 1 1 24 24 SER C C 13 178.95 0.25 . 1 . . . . . 24 SER C . 27312 1 14 . 1 1 25 25 LEU H H 1 8.072 0.15 . 1 . . . . . 25 LEU H . 27312 1 15 . 1 1 25 25 LEU CA C 13 56.784 0.25 . 1 . . . . . 25 LEU CA . 27312 1 16 . 1 1 25 25 LEU N N 15 119.05 0.3 . 1 . . . . . 25 LEU N . 27312 1 17 . 1 1 30 30 ARG CA C 13 52.1 0.25 . 1 . . . . . 30 ARG CA . 27312 1 18 . 1 1 31 31 GLY H H 1 7.077 0.15 . 1 . . . . . 31 GLY H . 27312 1 19 . 1 1 31 31 GLY C C 13 174.17 0.25 . 1 . . . . . 31 GLY C . 27312 1 20 . 1 1 31 31 GLY CA C 13 45.018 0.25 . 1 . . . . . 31 GLY CA . 27312 1 21 . 1 1 31 31 GLY N N 15 102.74 0.3 . 1 . . . . . 31 GLY N . 27312 1 22 . 1 1 32 32 VAL H H 1 7.156 0.15 . 1 . . . . . 32 VAL H . 27312 1 23 . 1 1 32 32 VAL CA C 13 59.423 0.25 . 1 . . . . . 32 VAL CA . 27312 1 24 . 1 1 32 32 VAL N N 15 125.02 0.3 . 1 . . . . . 32 VAL N . 27312 1 25 . 1 1 41 41 MET C C 13 177 0.25 . 1 . . . . . 41 MET C . 27312 1 26 . 1 1 42 42 PHE H H 1 9.131 0.15 . 1 . . . . . 42 PHE H . 27312 1 27 . 1 1 42 42 PHE C C 13 177.1 0.25 . 1 . . . . . 42 PHE C . 27312 1 28 . 1 1 42 42 PHE CA C 13 62.393 0.25 . 1 . . . . . 42 PHE CA . 27312 1 29 . 1 1 42 42 PHE N N 15 119.55 0.3 . 1 . . . . . 42 PHE N . 27312 1 30 . 1 1 43 43 ILE H H 1 8.935 0.15 . 1 . . . . . 43 ILE H . 27312 1 31 . 1 1 43 43 ILE CA C 13 67.626 0.25 . 1 . . . . . 43 ILE CA . 27312 1 32 . 1 1 43 43 ILE N N 15 115.26 0.3 . 1 . . . . . 43 ILE N . 27312 1 33 . 1 1 45 45 ILE C C 13 176.3 0.25 . 1 . . . . . 45 ILE C . 27312 1 34 . 1 1 46 46 TRP H H 1 8.465 0.15 . 1 . . . . . 46 TRP H . 27312 1 35 . 1 1 46 46 TRP CA C 13 60.886 0.25 . 1 . . . . . 46 TRP CA . 27312 1 36 . 1 1 46 46 TRP N N 15 120.04 0.3 . 1 . . . . . 46 TRP N . 27312 1 37 . 1 1 47 47 SER C C 13 178.47 0.25 . 1 . . . . . 47 SER C . 27312 1 38 . 1 1 48 48 GLY H H 1 8.553 0.15 . 1 . . . . . 48 GLY H . 27312 1 39 . 1 1 48 48 GLY C C 13 175.05 0.25 . 1 . . . . . 48 GLY C . 27312 1 40 . 1 1 48 48 GLY CA C 13 47.313 0.25 . 1 . . . . . 48 GLY CA . 27312 1 41 . 1 1 48 48 GLY N N 15 106.47 0.3 . 1 . . . . . 48 GLY N . 27312 1 42 . 1 1 49 49 LEU H H 1 8.815 0.15 . 1 . . . . . 49 LEU H . 27312 1 43 . 1 1 49 49 LEU CA C 13 57.763 0.25 . 1 . . . . . 49 LEU CA . 27312 1 44 . 1 1 49 49 LEU N N 15 120.92 0.3 . 1 . . . . . 49 LEU N . 27312 1 45 . 1 1 50 50 ALA C C 13 178.78 0.25 . 1 . . . . . 50 ALA C . 27312 1 46 . 1 1 51 51 TYR H H 1 7.416 0.15 . 1 . . . . . 51 TYR H . 27312 1 47 . 1 1 51 51 TYR CA C 13 60.007 0.25 . 1 . . . . . 51 TYR CA . 27312 1 48 . 1 1 51 51 TYR N N 15 119.44 0.3 . 1 . . . . . 51 TYR N . 27312 1 49 . 1 1 54 54 MET C C 13 180.712 0.25 . 1 . . . . . 54 MET C . 27312 1 50 . 1 1 55 55 ALA H H 1 8.192 0.15 . 1 . . . . . 55 ALA H . 27312 1 51 . 1 1 55 55 ALA C C 13 179.442 0.25 . 1 . . . . . 55 ALA C . 27312 1 52 . 1 1 55 55 ALA CA C 13 55.224 0.25 . 1 . . . . . 55 ALA CA . 27312 1 53 . 1 1 55 55 ALA N N 15 126.585 0.3 . 1 . . . . . 55 ALA N . 27312 1 54 . 1 1 56 56 ILE H H 1 7.156 0.15 . 1 . . . . . 56 ILE H . 27312 1 55 . 1 1 56 56 ILE C C 13 174.56 0.25 . 1 . . . . . 56 ILE C . 27312 1 56 . 1 1 56 56 ILE CA C 13 60.302 0.25 . 1 . . . . . 56 ILE CA . 27312 1 57 . 1 1 56 56 ILE N N 15 110.471 0.3 . 1 . . . . . 56 ILE N . 27312 1 58 . 1 1 57 57 ASP H H 1 7.723 0.15 . 1 . . . . . 57 ASP H . 27312 1 59 . 1 1 57 57 ASP C C 13 175.146 0.25 . 1 . . . . . 57 ASP C . 27312 1 60 . 1 1 57 57 ASP CA C 13 56.494 0.25 . 1 . . . . . 57 ASP CA . 27312 1 61 . 1 1 57 57 ASP N N 15 114.67 0.3 . 1 . . . . . 57 ASP N . 27312 1 62 . 1 1 58 58 GLN H H 1 7.508 0.15 . 1 . . . . . 58 GLN H . 27312 1 63 . 1 1 58 58 GLN C C 13 175.243 0.25 . 1 . . . . . 58 GLN C . 27312 1 64 . 1 1 58 58 GLN CA C 13 54.638 0.25 . 1 . . . . . 58 GLN CA . 27312 1 65 . 1 1 58 58 GLN N N 15 117.6 0.3 . 1 . . . . . 58 GLN N . 27312 1 66 . 1 1 59 59 GLY H H 1 7.821 0.15 . 1 . . . . . 59 GLY H . 27312 1 67 . 1 1 59 59 GLY C C 13 172.314 0.25 . 1 . . . . . 59 GLY C . 27312 1 68 . 1 1 59 59 GLY CA C 13 45.655 0.25 . 1 . . . . . 59 GLY CA . 27312 1 69 . 1 1 59 59 GLY N N 15 101.095 0.3 . 1 . . . . . 59 GLY N . 27312 1 70 . 1 1 60 60 LYS H H 1 6.823 0.15 . 1 . . . . . 60 LYS H . 27312 1 71 . 1 1 60 60 LYS C C 13 175.732 0.25 . 1 . . . . . 60 LYS C . 27312 1 72 . 1 1 60 60 LYS CA C 13 53.662 0.25 . 1 . . . . . 60 LYS CA . 27312 1 73 . 1 1 60 60 LYS N N 15 113.596 0.3 . 1 . . . . . 60 LYS N . 27312 1 74 . 1 1 61 61 VAL H H 1 8.173 0.15 . 1 . . . . . 61 VAL H . 27312 1 75 . 1 1 61 61 VAL C C 13 171.826 0.25 . 1 . . . . . 61 VAL C . 27312 1 76 . 1 1 61 61 VAL CA C 13 59.61 0.25 . 1 . . . . . 61 VAL CA . 27312 1 77 . 1 1 61 61 VAL N N 15 120.335 0.3 . 1 . . . . . 61 VAL N . 27312 1 78 . 1 1 62 62 GLU H H 1 8.662 0.15 . 1 . . . . . 62 GLU H . 27312 1 79 . 1 1 62 62 GLU C C 13 175.829 0.25 . 1 . . . . . 62 GLU C . 27312 1 80 . 1 1 62 62 GLU CA C 13 56.494 0.25 . 1 . . . . . 62 GLU CA . 27312 1 81 . 1 1 62 62 GLU N N 15 127.562 0.3 . 1 . . . . . 62 GLU N . 27312 1 82 . 1 1 63 63 ALA H H 1 8.974 0.15 . 1 . . . . . 63 ALA H . 27312 1 83 . 1 1 63 63 ALA C C 13 176.708 0.25 . 1 . . . . . 63 ALA C . 27312 1 84 . 1 1 63 63 ALA CA C 13 52.002 0.25 . 1 . . . . . 63 ALA CA . 27312 1 85 . 1 1 63 63 ALA N N 15 127.855 0.3 . 1 . . . . . 63 ALA N . 27312 1 86 . 1 1 64 64 ALA H H 1 9.6 0.15 . 1 . . . . . 64 ALA H . 27312 1 87 . 1 1 64 64 ALA C C 13 177.489 0.25 . 1 . . . . . 64 ALA C . 27312 1 88 . 1 1 64 64 ALA CA C 13 52.685 0.25 . 1 . . . . . 64 ALA CA . 27312 1 89 . 1 1 64 64 ALA N N 15 126.781 0.3 . 1 . . . . . 64 ALA N . 27312 1 90 . 1 1 65 65 GLY H H 1 8.896 0.15 . 1 . . . . . 65 GLY H . 27312 1 91 . 1 1 65 65 GLY C C 13 173.193 0.25 . 1 . . . . . 65 GLY C . 27312 1 92 . 1 1 65 65 GLY CA C 13 45.85 0.25 . 1 . . . . . 65 GLY CA . 27312 1 93 . 1 1 65 65 GLY N N 15 103.341 0.3 . 1 . . . . . 65 GLY N . 27312 1 94 . 1 1 66 66 GLN H H 1 7.958 0.15 . 1 . . . . . 66 GLN H . 27312 1 95 . 1 1 66 66 GLN C C 13 172.314 0.25 . 1 . . . . . 66 GLN C . 27312 1 96 . 1 1 66 66 GLN CA C 13 52.685 0.25 . 1 . . . . . 66 GLN CA . 27312 1 97 . 1 1 66 66 GLN N N 15 117.405 0.3 . 1 . . . . . 66 GLN N . 27312 1 98 . 1 1 67 67 ILE H H 1 8.798 0.15 . 1 . . . . . 67 ILE H . 27312 1 99 . 1 1 67 67 ILE C C 13 176.708 0.25 . 1 . . . . . 67 ILE C . 27312 1 100 . 1 1 67 67 ILE CA C 13 58.74 0.25 . 1 . . . . . 67 ILE CA . 27312 1 101 . 1 1 67 67 ILE N N 15 118.577 0.3 . 1 . . . . . 67 ILE N . 27312 1 102 . 1 1 68 68 ALA H H 1 9.483 0.15 . 1 . . . . . 68 ALA H . 27312 1 103 . 1 1 68 68 ALA C C 13 176.981 0.25 . 1 . . . . . 68 ALA C . 27312 1 104 . 1 1 68 68 ALA CA C 13 50.732 0.25 . 1 . . . . . 68 ALA CA . 27312 1 105 . 1 1 68 68 ALA N N 15 133.52 0.3 . 1 . . . . . 68 ALA N . 27312 1 106 . 1 1 71 71 ALA C C 13 178.856 0.25 . 1 . . . . . 71 ALA C . 27312 1 107 . 1 1 72 72 ARG H H 1 7.195 0.15 . 1 . . . . . 72 ARG H . 27312 1 108 . 1 1 72 72 ARG CA C 13 59.033 0.25 . 1 . . . . . 72 ARG CA . 27312 1 109 . 1 1 72 72 ARG N N 15 113.498 0.3 . 1 . . . . . 72 ARG N . 27312 1 110 . 1 1 73 73 TYR C C 13 177.587 0.25 . 1 . . . . . 73 TYR C . 27312 1 111 . 1 1 74 74 ILE H H 1 8.072 0.15 . 1 . . . . . 74 ILE H . 27312 1 112 . 1 1 74 74 ILE C C 13 177.977 0.25 . 1 . . . . . 74 ILE C . 27312 1 113 . 1 1 74 74 ILE CA C 13 65.672 0.25 . 1 . . . . . 74 ILE CA . 27312 1 114 . 1 1 74 74 ILE N N 15 119.638 0.3 . 1 . . . . . 74 ILE N . 27312 1 115 . 1 1 75 75 ASP H H 1 7.153 0.15 . 1 . . . . . 75 ASP H . 27312 1 116 . 1 1 75 75 ASP CA C 13 55.808 0.25 . 1 . . . . . 75 ASP CA . 27312 1 117 . 1 1 75 75 ASP N N 15 115.536 0.3 . 1 . . . . . 75 ASP N . 27312 1 118 . 1 1 87 87 LEU C C 13 178.172 0.25 . 1 . . . . . 87 LEU C . 27312 1 119 . 1 1 88 88 SER H H 1 9.165 0.15 . 1 . . . . . 88 SER H . 27312 1 120 . 1 1 88 88 SER C C 13 177.293 0.25 . 1 . . . . . 88 SER C . 27312 1 121 . 1 1 88 88 SER CA C 13 62.546 0.25 . 1 . . . . . 88 SER CA . 27312 1 122 . 1 1 88 88 SER N N 15 116.81 0.3 . 1 . . . . . 88 SER N . 27312 1 123 . 1 1 89 89 TRP H H 1 8.203 0.15 . 1 . . . . . 89 TRP H . 27312 1 124 . 1 1 89 89 TRP C C 13 180.028 0.25 . 1 . . . . . 89 TRP C . 27312 1 125 . 1 1 89 89 TRP CA C 13 58.249 0.25 . 1 . . . . . 89 TRP CA . 27312 1 126 . 1 1 89 89 TRP N N 15 121.908 0.3 . 1 . . . . . 89 TRP N . 27312 1 127 . 1 1 90 90 THR H H 1 7.782 0.15 . 1 . . . . . 90 THR H . 27312 1 128 . 1 1 90 90 THR C C 13 175.732 0.25 . 1 . . . . . 90 THR C . 27312 1 129 . 1 1 90 90 THR CA C 13 68.603 0.25 . 1 . . . . . 90 THR CA . 27312 1 130 . 1 1 90 90 THR N N 15 118.479 0.3 . 1 . . . . . 90 THR N . 27312 1 131 . 1 1 91 91 ALA H H 1 7.634 0.15 . 1 . . . . . 91 ALA H . 27312 1 132 . 1 1 91 91 ALA C C 13 177.489 0.25 . 1 . . . . . 91 ALA C . 27312 1 133 . 1 1 91 91 ALA CA C 13 53.953 0.25 . 1 . . . . . 91 ALA CA . 27312 1 134 . 1 1 91 91 ALA N N 15 120.126 0.3 . 1 . . . . . 91 ALA N . 27312 1 135 . 1 1 92 92 MET H H 1 8.544 0.15 . 1 . . . . . 92 MET H . 27312 1 136 . 1 1 92 92 MET C C 13 176.801 0.25 . 1 . . . . . 92 MET C . 27312 1 137 . 1 1 92 92 MET N N 15 108.322 0.3 . 1 . . . . . 92 MET N . 27312 1 138 . 1 1 93 93 GLN H H 1 8.798 0.15 . 1 . . . . . 93 GLN H . 27312 1 139 . 1 1 93 93 GLN C C 13 177.392 0.25 . 1 . . . . . 93 GLN C . 27312 1 140 . 1 1 93 93 GLN CA C 13 59.619 0.25 . 1 . . . . . 93 GLN CA . 27312 1 141 . 1 1 93 93 GLN N N 15 122.19 0.3 . 1 . . . . . 93 GLN N . 27312 1 142 . 1 1 94 94 PHE H H 1 6.999 0.15 . 1 . . . . . 94 PHE H . 27312 1 143 . 1 1 94 94 PHE C C 13 175.536 0.25 . 1 . . . . . 94 PHE C . 27312 1 144 . 1 1 94 94 PHE CA C 13 56.006 0.25 . 1 . . . . . 94 PHE CA . 27312 1 145 . 1 1 94 94 PHE N N 15 112.424 0.3 . 1 . . . . . 94 PHE N . 27312 1 146 . 1 1 95 95 ILE H H 1 6.98 0.15 . 1 . . . . . 95 ILE H . 27312 1 147 . 1 1 95 95 ILE CA C 13 58.837 0.25 . 1 . . . . . 95 ILE CA . 27312 1 148 . 1 1 95 95 ILE N N 15 111.252 0.3 . 1 . . . . . 95 ILE N . 27312 1 149 . 1 1 99 99 TRP C C 13 177.489 0.25 . 1 . . . . . 99 TRP C . 27312 1 150 . 1 1 100 100 THR H H 1 7.469 0.15 . 1 . . . . . 100 THR H . 27312 1 151 . 1 1 100 100 THR C C 13 176.122 0.25 . 1 . . . . . 100 THR C . 27312 1 152 . 1 1 100 100 THR CA C 13 64.696 0.25 . 1 . . . . . 100 THR CA . 27312 1 153 . 1 1 100 100 THR N N 15 108.908 0.3 . 1 . . . . . 100 THR N . 27312 1 154 . 1 1 101 101 LEU H H 1 8.583 0.15 . 1 . . . . . 101 LEU H . 27312 1 155 . 1 1 101 101 LEU C C 13 178.368 0.25 . 1 . . . . . 101 LEU C . 27312 1 156 . 1 1 101 101 LEU CA C 13 57.666 0.25 . 1 . . . . . 101 LEU CA . 27312 1 157 . 1 1 101 101 LEU N N 15 123.753 0.3 . 1 . . . . . 101 LEU N . 27312 1 158 . 1 1 102 102 ILE H H 1 7.645 0.15 . 1 . . . . . 102 ILE H . 27312 1 159 . 1 1 102 102 ILE C C 13 177.685 0.25 . 1 . . . . . 102 ILE C . 27312 1 160 . 1 1 102 102 ILE CA C 13 66.357 0.25 . 1 . . . . . 102 ILE CA . 27312 1 161 . 1 1 102 102 ILE N N 15 116.721 0.3 . 1 . . . . . 102 ILE N . 27312 1 162 . 1 1 103 103 GLY H H 1 7.853 0.15 . 1 . . . . . 103 GLY H . 27312 1 163 . 1 1 103 103 GLY CA C 13 47.313 0.25 . 1 . . . . . 103 GLY CA . 27312 1 164 . 1 1 103 103 GLY N N 15 107.625 0.3 . 1 . . . . . 103 GLY N . 27312 1 165 . 1 1 104 104 PHE C C 13 176.024 0.25 . 1 . . . . . 104 PHE C . 27312 1 166 . 1 1 105 105 LEU H H 1 7.678 0.15 . 1 . . . . . 105 LEU H . 27312 1 167 . 1 1 105 105 LEU C C 13 178.465 0.25 . 1 . . . . . 105 LEU C . 27312 1 168 . 1 1 105 105 LEU CA C 13 57.273 0.25 . 1 . . . . . 105 LEU CA . 27312 1 169 . 1 1 105 105 LEU N N 15 123.154 0.3 . 1 . . . . . 105 LEU N . 27312 1 170 . 1 1 106 106 MET H H 1 8.028 0.15 . 1 . . . . . 106 MET H . 27312 1 171 . 1 1 106 106 MET CA C 13 60.888 0.25 . 1 . . . . . 106 MET CA . 27312 1 172 . 1 1 106 106 MET N N 15 113.498 0.3 . 1 . . . . . 106 MET N . 27312 1 173 . 1 1 109 109 GLN C C 13 178.172 0.25 . 1 . . . . . 109 GLN C . 27312 1 174 . 1 1 110 110 ILE H H 1 8.072 0.15 . 1 . . . . . 110 ILE H . 27312 1 175 . 1 1 110 110 ILE CA C 13 63.696 0.25 . 1 . . . . . 110 ILE CA . 27312 1 176 . 1 1 110 110 ILE N N 15 120.126 0.3 . 1 . . . . . 110 ILE N . 27312 1 177 . 1 1 114 114 THR C C 13 175.438 0.25 . 1 . . . . . 114 THR C . 27312 1 178 . 1 1 115 115 SER H H 1 8.859 0.15 . 1 . . . . . 115 SER H . 27312 1 179 . 1 1 115 115 SER C C 13 176.61 0.25 . 1 . . . . . 115 SER C . 27312 1 180 . 1 1 115 115 SER CA C 13 63.741 0.25 . 1 . . . . . 115 SER CA . 27312 1 181 . 1 1 115 115 SER N N 15 106.466 0.3 . 1 . . . . . 115 SER N . 27312 1 182 . 1 1 116 116 GLY H H 1 7.853 0.15 . 1 . . . . . 116 GLY H . 27312 1 183 . 1 1 116 116 GLY C C 13 174.169 0.25 . 1 . . . . . 116 GLY C . 27312 1 184 . 1 1 116 116 GLY CA C 13 47.313 0.25 . 1 . . . . . 116 GLY CA . 27312 1 185 . 1 1 116 116 GLY N N 15 106.466 0.3 . 1 . . . . . 116 GLY N . 27312 1 186 . 1 1 117 117 LEU H H 1 8.159 0.15 . 1 . . . . . 117 LEU H . 27312 1 187 . 1 1 117 117 LEU CA C 13 56.589 0.25 . 1 . . . . . 117 LEU CA . 27312 1 188 . 1 1 117 117 LEU N N 15 122.959 0.3 . 1 . . . . . 117 LEU N . 27312 1 189 . 1 1 124 124 ARG H H 1 7.567 0.15 . 1 . . . . . 124 ARG H . 27312 1 190 . 1 1 124 124 ARG C C 13 177.509 0.25 . 1 . . . . . 124 ARG C . 27312 1 191 . 1 1 124 124 ARG CA C 13 54.931 0.25 . 1 . . . . . 124 ARG CA . 27312 1 192 . 1 1 124 124 ARG N N 15 117.797 0.3 . 1 . . . . . 124 ARG N . 27312 1 193 . 1 1 125 125 ASP H H 1 9.467 0.15 . 1 . . . . . 125 ASP H . 27312 1 194 . 1 1 125 125 ASP C C 13 177.489 0.25 . 1 . . . . . 125 ASP C . 27312 1 195 . 1 1 125 125 ASP CA C 13 57.861 0.25 . 1 . . . . . 125 ASP CA . 27312 1 196 . 1 1 125 125 ASP N N 15 125.413 0.3 . 1 . . . . . 125 ASP N . 27312 1 197 . 1 1 126 126 TRP H H 1 8.602 0.15 . 1 . . . . . 126 TRP H . 27312 1 198 . 1 1 126 126 TRP C C 13 176.493 0.25 . 1 . . . . . 126 TRP C . 27312 1 199 . 1 1 126 126 TRP CA C 13 59.716 0.25 . 1 . . . . . 126 TRP CA . 27312 1 200 . 1 1 126 126 TRP N N 15 115.843 0.3 . 1 . . . . . 126 TRP N . 27312 1 201 . 1 1 127 127 VAL H H 1 5.787 0.15 . 1 . . . . . 127 VAL H . 27312 1 202 . 1 1 127 127 VAL C C 13 176.844 0.25 . 1 . . . . . 127 VAL C . 27312 1 203 . 1 1 127 127 VAL CA C 13 65.38 0.25 . 1 . . . . . 127 VAL CA . 27312 1 204 . 1 1 127 127 VAL N N 15 121.702 0.3 . 1 . . . . . 127 VAL N . 27312 1 205 . 1 1 128 128 ARG H H 1 6.96 0.15 . 1 . . . . . 128 ARG H . 27312 1 206 . 1 1 128 128 ARG CA C 13 59.716 0.25 . 1 . . . . . 128 ARG CA . 27312 1 207 . 1 1 128 128 ARG N N 15 119.594 0.3 . 1 . . . . . 128 ARG N . 27312 1 208 . 1 1 129 129 TYR C C 13 177.685 0.25 . 1 . . . . . 129 TYR C . 27312 1 209 . 1 1 130 130 LEU H H 1 8.094 0.15 . 1 . . . . . 130 LEU H . 27312 1 210 . 1 1 130 130 LEU C C 13 178.661 0.25 . 1 . . . . . 130 LEU C . 27312 1 211 . 1 1 130 130 LEU CA C 13 58.544 0.25 . 1 . . . . . 130 LEU CA . 27312 1 212 . 1 1 130 130 LEU N N 15 122.776 0.3 . 1 . . . . . 130 LEU N . 27312 1 213 . 1 1 131 131 TRP H H 1 8.212 0.15 . 1 . . . . . 131 TRP H . 27312 1 214 . 1 1 131 131 TRP C C 13 178.915 0.25 . 1 . . . . . 131 TRP C . 27312 1 215 . 1 1 131 131 TRP CA C 13 60.497 0.25 . 1 . . . . . 131 TRP CA . 27312 1 216 . 1 1 131 131 TRP N N 15 119.065 0.3 . 1 . . . . . 131 TRP N . 27312 1 217 . 1 1 132 132 TYR H H 1 6.647 0.15 . 1 . . . . . 132 TYR H . 27312 1 218 . 1 1 132 132 TYR C C 13 176.844 0.25 . 1 . . . . . 132 TYR C . 27312 1 219 . 1 1 132 132 TYR CA C 13 61.867 0.25 . 1 . . . . . 132 TYR CA . 27312 1 220 . 1 1 132 132 TYR N N 15 119.163 0.3 . 1 . . . . . 132 TYR N . 27312 1 221 . 1 1 138 138 ALA C C 13 177.391 0.25 . 1 . . . . . 138 ALA C . 27312 1 222 . 1 1 139 139 PHE H H 1 8.596 0.15 . 1 . . . . . 139 PHE H . 27312 1 223 . 1 1 139 139 PHE CA C 13 59.032 0.25 . 1 . . . . . 139 PHE CA . 27312 1 224 . 1 1 139 139 PHE N N 15 119.065 0.3 . 1 . . . . . 139 PHE N . 27312 1 225 . 1 1 144 144 TRP C C 13 178.465 0.25 . 1 . . . . . 144 TRP C . 27312 1 226 . 1 1 145 145 GLY H H 1 8.553 0.15 . 1 . . . . . 145 GLY H . 27312 1 227 . 1 1 145 145 GLY CA C 13 47.02 0.25 . 1 . . . . . 145 GLY CA . 27312 1 228 . 1 1 145 145 GLY N N 15 107.821 0.3 . 1 . . . . . 145 GLY N . 27312 1 229 . 1 1 146 146 ILE C C 13 178.953 0.25 . 1 . . . . . 146 ILE C . 27312 1 230 . 1 1 147 147 TRP H H 1 8.247 0.15 . 1 . . . . . 147 TRP H . 27312 1 231 . 1 1 147 147 TRP CA C 13 59.619 0.25 . 1 . . . . . 147 TRP CA . 27312 1 232 . 1 1 147 147 TRP N N 15 119.955 0.3 . 1 . . . . . 147 TRP N . 27312 1 233 . 1 1 157 157 GLN H H 1 8.602 0.15 . 1 . . . . . 157 GLN H . 27312 1 234 . 1 1 157 157 GLN CA C 13 54.944 0.25 . 1 . . . . . 157 GLN CA . 27312 1 235 . 1 1 157 157 GLN N N 15 120.53 0.3 . 1 . . . . . 157 GLN N . 27312 1 236 . 1 1 158 158 SER H H 1 7.625 0.15 . 1 . . . . . 158 SER H . 27312 1 237 . 1 1 158 158 SER C C 13 174.658 0.25 . 1 . . . . . 158 SER C . 27312 1 238 . 1 1 158 158 SER CA C 13 57.177 0.25 . 1 . . . . . 158 SER CA . 27312 1 239 . 1 1 158 158 SER N N 15 112.619 0.3 . 1 . . . . . 158 SER N . 27312 1 240 . 1 1 159 159 SER H H 1 7.657 0.15 . 1 . . . . . 159 SER H . 27312 1 241 . 1 1 159 159 SER C C 13 176.708 0.25 . 1 . . . . . 159 SER C . 27312 1 242 . 1 1 159 159 SER CA C 13 60.888 0.25 . 1 . . . . . 159 SER CA . 27312 1 243 . 1 1 159 159 SER N N 15 117.795 0.3 . 1 . . . . . 159 SER N . 27312 1 244 . 1 1 160 160 GLU H H 1 8.036 0.15 . 1 . . . . . 160 GLU H . 27312 1 245 . 1 1 160 160 GLU C C 13 179.658 0.25 . 1 . . . . . 160 GLU C . 27312 1 246 . 1 1 160 160 GLU N N 15 119.749 0.3 . 1 . . . . . 160 GLU N . 27312 1 247 . 1 1 161 161 LEU H H 1 8.159 0.15 . 1 . . . . . 161 LEU H . 27312 1 248 . 1 1 161 161 LEU C C 13 178.953 0.25 . 1 . . . . . 161 LEU C . 27312 1 249 . 1 1 161 161 LEU CA C 13 56.589 0.25 . 1 . . . . . 161 LEU CA . 27312 1 250 . 1 1 161 161 LEU N N 15 125.107 0.3 . 1 . . . . . 161 LEU N . 27312 1 251 . 1 1 162 162 ALA H H 1 7.94 0.15 . 1 . . . . . 162 ALA H . 27312 1 252 . 1 1 162 162 ALA CA C 13 56.101 0.25 . 1 . . . . . 162 ALA CA . 27312 1 253 . 1 1 162 162 ALA N N 15 122.959 0.3 . 1 . . . . . 162 ALA N . 27312 1 254 . 1 1 167 167 LYS C C 13 178.173 0.25 . 1 . . . . . 167 LYS C . 27312 1 255 . 1 1 168 168 LEU H H 1 7.899 0.15 . 1 . . . . . 168 LEU H . 27312 1 256 . 1 1 168 168 LEU CA C 13 57.47 0.25 . 1 . . . . . 168 LEU CA . 27312 1 257 . 1 1 168 168 LEU N N 15 119.358 0.3 . 1 . . . . . 168 LEU N . 27312 1 258 . 1 1 169 169 VAL C C 13 178.954 0.25 . 1 . . . . . 169 VAL C . 27312 1 259 . 1 1 170 170 THR H H 1 7.41 0.15 . 1 . . . . . 170 THR H . 27312 1 260 . 1 1 170 170 THR C C 13 175.243 0.25 . 1 . . . . . 170 THR C . 27312 1 261 . 1 1 170 170 THR CA C 13 69.091 0.25 . 1 . . . . . 170 THR CA . 27312 1 262 . 1 1 170 170 THR N N 15 124.632 0.3 . 1 . . . . . 170 THR N . 27312 1 263 . 1 1 171 171 TYR H H 1 7.821 0.15 . 1 . . . . . 171 TYR H . 27312 1 264 . 1 1 171 171 TYR C C 13 175.438 0.25 . 1 . . . . . 171 TYR C . 27312 1 265 . 1 1 171 171 TYR CA C 13 62.451 0.25 . 1 . . . . . 171 TYR CA . 27312 1 266 . 1 1 171 171 TYR N N 15 122.386 0.3 . 1 . . . . . 171 TYR N . 27312 1 267 . 1 1 172 172 PHE H H 1 8.99 0.15 . 1 . . . . . 172 PHE H . 27312 1 268 . 1 1 172 172 PHE CA C 13 60.106 0.25 . 1 . . . . . 172 PHE CA . 27312 1 269 . 1 1 172 172 PHE N N 15 118.088 0.3 . 1 . . . . . 172 PHE N . 27312 1 270 . 1 1 173 173 THR C C 13 175.438 0.25 . 1 . . . . . 173 THR C . 27312 1 271 . 1 1 174 174 VAL H H 1 8.859 0.15 . 1 . . . . . 174 VAL H . 27312 1 272 . 1 1 174 174 VAL CA C 13 66.842 0.25 . 1 . . . . . 174 VAL CA . 27312 1 273 . 1 1 174 174 VAL N N 15 117.978 0.3 . 1 . . . . . 174 VAL N . 27312 1 274 . 1 1 175 175 LEU C C 13 180.222 0.25 . 1 . . . . . 175 LEU C . 27312 1 275 . 1 1 176 176 TRP H H 1 7.897 0.15 . 1 . . . . . 176 TRP H . 27312 1 276 . 1 1 176 176 TRP CA C 13 62.643 0.25 . 1 . . . . . 176 TRP CA . 27312 1 277 . 1 1 176 176 TRP N N 15 117.294 0.3 . 1 . . . . . 176 TRP N . 27312 1 278 . 1 1 187 187 PRO C C 13 177.489 0.25 . 1 . . . . . 187 PRO C . 27312 1 279 . 1 1 188 188 SER H H 1 7.351 0.15 . 1 . . . . . 188 SER H . 27312 1 280 . 1 1 188 188 SER C C 13 172.607 0.25 . 1 . . . . . 188 SER C . 27312 1 281 . 1 1 188 188 SER N N 15 109.103 0.3 . 1 . . . . . 188 SER N . 27312 1 282 . 1 1 189 189 GLY H H 1 7.39 0.15 . 1 . . . . . 189 GLY H . 27312 1 283 . 1 1 189 189 GLY C C 13 174.169 0.25 . 1 . . . . . 189 GLY C . 27312 1 284 . 1 1 189 189 GLY CA C 13 43.897 0.25 . 1 . . . . . 189 GLY CA . 27312 1 285 . 1 1 189 189 GLY N N 15 108.42 0.3 . 1 . . . . . 189 GLY N . 27312 1 286 . 1 1 190 190 PHE H H 1 7.156 0.15 . 1 . . . . . 190 PHE H . 27312 1 287 . 1 1 190 190 PHE C C 13 177.685 0.25 . 1 . . . . . 190 PHE C . 27312 1 288 . 1 1 190 190 PHE CA C 13 56.494 0.25 . 1 . . . . . 190 PHE CA . 27312 1 289 . 1 1 190 190 PHE N N 15 125.023 0.3 . 1 . . . . . 190 PHE N . 27312 1 290 . 1 1 191 191 GLY H H 1 7.899 0.15 . 1 . . . . . 191 GLY H . 27312 1 291 . 1 1 191 191 GLY C C 13 175.146 0.25 . 1 . . . . . 191 GLY C . 27312 1 292 . 1 1 191 191 GLY CA C 13 46.436 0.25 . 1 . . . . . 191 GLY CA . 27312 1 293 . 1 1 191 191 GLY N N 15 105.392 0.3 . 1 . . . . . 191 GLY N . 27312 1 294 . 1 1 192 192 TRP H H 1 7.175 0.15 . 1 . . . . . 192 TRP H . 27312 1 295 . 1 1 192 192 TRP C C 13 177.177 0.25 . 1 . . . . . 192 TRP C . 27312 1 296 . 1 1 192 192 TRP N N 15 120.921 0.3 . 1 . . . . . 192 TRP N . 27312 1 297 . 1 1 193 193 ILE C C 13 175.634 0.25 . 1 . . . . . 193 ILE C . 27312 1 298 . 1 1 194 194 ASN H H 1 7.853 0.15 . 1 . . . . . 194 ASN H . 27312 1 299 . 1 1 194 194 ASN CA C 13 50.732 0.25 . 1 . . . . . 194 ASN CA . 27312 1 300 . 1 1 194 194 ASN N N 15 117.6 0.3 . 1 . . . . . 194 ASN N . 27312 1 301 . 1 1 195 195 GLN C C 13 176.903 0.25 . 1 . . . . . 195 GLN C . 27312 1 302 . 1 1 196 196 THR H H 1 7.997 0.15 . 1 . . . . . 196 THR H . 27312 1 303 . 1 1 196 196 THR CA C 13 67.235 0.25 . 1 . . . . . 196 THR CA . 27312 1 304 . 1 1 196 196 THR N N 15 117.112 0.3 . 1 . . . . . 196 THR N . 27312 1 305 . 1 1 197 197 ILE C C 13 177.196 0.25 . 1 . . . . . 197 ILE C . 27312 1 306 . 1 1 198 198 ASP H H 1 8.115 0.15 . 1 . . . . . 198 ASP H . 27312 1 307 . 1 1 198 198 ASP CA C 13 58.151 0.25 . 1 . . . . . 198 ASP CA . 27312 1 308 . 1 1 198 198 ASP N N 15 123.154 0.3 . 1 . . . . . 198 ASP N . 27312 1 309 . 1 1 199 199 THR C C 13 175.243 0.25 . 1 . . . . . 199 THR C . 27312 1 310 . 1 1 200 200 PHE H H 1 7.416 0.15 . 1 . . . . . 200 PHE H . 27312 1 311 . 1 1 200 200 PHE C C 13 179.169 0.25 . 1 . . . . . 200 PHE C . 27312 1 312 . 1 1 200 200 PHE CA C 13 61.471 0.25 . 1 . . . . . 200 PHE CA . 27312 1 313 . 1 1 200 200 PHE N N 15 119.443 0.3 . 1 . . . . . 200 PHE N . 27312 1 314 . 1 1 201 201 LEU H H 1 8.115 0.15 . 1 . . . . . 201 LEU H . 27312 1 315 . 1 1 201 201 LEU CA C 13 58.151 0.25 . 1 . . . . . 201 LEU CA . 27312 1 316 . 1 1 201 201 LEU N N 15 120.154 0.3 . 1 . . . . . 201 LEU N . 27312 1 317 . 1 1 202 202 PHE C C 13 175.438 0.25 . 1 . . . . . 202 PHE C . 27312 1 318 . 1 1 203 203 CYS H H 1 8.859 0.15 . 1 . . . . . 203 CYS H . 27312 1 319 . 1 1 203 203 CYS CA C 13 62.741 0.25 . 1 . . . . . 203 CYS CA . 27312 1 320 . 1 1 203 203 CYS N N 15 117.978 0.3 . 1 . . . . . 203 CYS N . 27312 1 321 . 1 1 204 204 LEU C C 13 178.368 0.25 . 1 . . . . . 204 LEU C . 27312 1 322 . 1 1 205 205 LEU H H 1 7.664 0.15 . 1 . . . . . 205 LEU H . 27312 1 323 . 1 1 205 205 LEU CA C 13 59.128 0.25 . 1 . . . . . 205 LEU CA . 27312 1 324 . 1 1 205 205 LEU N N 15 115.256 0.3 . 1 . . . . . 205 LEU N . 27312 1 325 . 1 1 207 207 PHE C C 13 178.368 0.25 . 1 . . . . . 207 PHE C . 27312 1 326 . 1 1 208 208 PHE H H 1 7.527 0.15 . 1 . . . . . 208 PHE H . 27312 1 327 . 1 1 208 208 PHE C C 13 179.638 0.25 . 1 . . . . . 208 PHE C . 27312 1 328 . 1 1 208 208 PHE CA C 13 62.939 0.25 . 1 . . . . . 208 PHE CA . 27312 1 329 . 1 1 208 208 PHE N N 15 115.256 0.3 . 1 . . . . . 208 PHE N . 27312 1 330 . 1 1 209 209 SER H H 1 8.759 0.15 . 1 . . . . . 209 SER H . 27312 1 331 . 1 1 209 209 SER C C 13 171.337 0.25 . 1 . . . . . 209 SER C . 27312 1 332 . 1 1 209 209 SER CA C 13 60.107 0.25 . 1 . . . . . 209 SER CA . 27312 1 333 . 1 1 209 209 SER N N 15 114.963 0.3 . 1 . . . . . 209 SER N . 27312 1 334 . 1 1 210 210 LYS H H 1 7.606 0.15 . 1 . . . . . 210 LYS H . 27312 1 335 . 1 1 210 210 LYS C C 13 173.29 0.25 . 1 . . . . . 210 LYS C . 27312 1 336 . 1 1 210 210 LYS CA C 13 56.982 0.25 . 1 . . . . . 210 LYS CA . 27312 1 337 . 1 1 210 210 LYS N N 15 117.104 0.3 . 1 . . . . . 210 LYS N . 27312 1 338 . 1 1 211 211 VAL H H 1 8.525 0.15 . 1 . . . . . 211 VAL H . 27312 1 339 . 1 1 211 211 VAL C C 13 177.685 0.25 . 1 . . . . . 211 VAL C . 27312 1 340 . 1 1 211 211 VAL CA C 13 65.282 0.25 . 1 . . . . . 211 VAL CA . 27312 1 341 . 1 1 211 211 VAL N N 15 116.721 0.3 . 1 . . . . . 211 VAL N . 27312 1 342 . 1 1 212 212 GLY H H 1 7.703 0.15 . 1 . . . . . 212 GLY H . 27312 1 343 . 1 1 212 212 GLY C C 13 173.486 0.25 . 1 . . . . . 212 GLY C . 27312 1 344 . 1 1 212 212 GLY CA C 13 47.901 0.25 . 1 . . . . . 212 GLY CA . 27312 1 345 . 1 1 212 212 GLY N N 15 101.29 0.3 . 1 . . . . . 212 GLY N . 27312 1 346 . 1 1 213 213 PHE H H 1 7.019 0.15 . 1 . . . . . 213 PHE H . 27312 1 347 . 1 1 213 213 PHE C C 13 175.927 0.25 . 1 . . . . . 213 PHE C . 27312 1 348 . 1 1 213 213 PHE CA C 13 61.865 0.25 . 1 . . . . . 213 PHE CA . 27312 1 349 . 1 1 213 213 PHE N N 15 119.846 0.3 . 1 . . . . . 213 PHE N . 27312 1 350 . 1 1 214 214 SER H H 1 8.114 0.15 . 1 . . . . . 214 SER H . 27312 1 351 . 1 1 214 214 SER CA C 13 62.548 0.25 . 1 . . . . . 214 SER CA . 27312 1 352 . 1 1 214 214 SER N N 15 116.233 0.3 . 1 . . . . . 214 SER N . 27312 1 353 . 1 1 215 215 PHE C C 13 176.122 0.25 . 1 . . . . . 215 PHE C . 27312 1 354 . 1 1 216 216 LEU H H 1 8.486 0.15 . 1 . . . . . 216 LEU H . 27312 1 355 . 1 1 216 216 LEU C C 13 179.931 0.25 . 1 . . . . . 216 LEU C . 27312 1 356 . 1 1 216 216 LEU CA C 13 56.787 0.25 . 1 . . . . . 216 LEU CA . 27312 1 357 . 1 1 216 216 LEU N N 15 118.186 0.3 . 1 . . . . . 216 LEU N . 27312 1 358 . 1 1 217 217 ASP H H 1 8.622 0.15 . 1 . . . . . 217 ASP H . 27312 1 359 . 1 1 217 217 ASP C C 13 177.685 0.25 . 1 . . . . . 217 ASP C . 27312 1 360 . 1 1 217 217 ASP CA C 13 57.666 0.25 . 1 . . . . . 217 ASP CA . 27312 1 361 . 1 1 217 217 ASP N N 15 120.53 0.3 . 1 . . . . . 217 ASP N . 27312 1 362 . 1 1 218 218 LEU H H 1 8.525 0.15 . 1 . . . . . 218 LEU H . 27312 1 363 . 1 1 218 218 LEU C C 13 180.712 0.25 . 1 . . . . . 218 LEU C . 27312 1 364 . 1 1 218 218 LEU CA C 13 57.568 0.25 . 1 . . . . . 218 LEU CA . 27312 1 365 . 1 1 218 218 LEU N N 15 114.377 0.3 . 1 . . . . . 218 LEU N . 27312 1 366 . 1 1 219 219 HIS H H 1 7.136 0.15 . 1 . . . . . 219 HIS H . 27312 1 367 . 1 1 219 219 HIS C C 13 178.661 0.25 . 1 . . . . . 219 HIS C . 27312 1 368 . 1 1 219 219 HIS CA C 13 61.181 0.25 . 1 . . . . . 219 HIS CA . 27312 1 369 . 1 1 219 219 HIS N N 15 113.791 0.3 . 1 . . . . . 219 HIS N . 27312 1 370 . 1 1 220 220 GLY H H 1 7.879 0.15 . 1 . . . . . 220 GLY H . 27312 1 371 . 1 1 220 220 GLY C C 13 176.611 0.25 . 1 . . . . . 220 GLY C . 27312 1 372 . 1 1 220 220 GLY CA C 13 47.119 0.25 . 1 . . . . . 220 GLY CA . 27312 1 373 . 1 1 220 220 GLY N N 15 109.299 0.3 . 1 . . . . . 220 GLY N . 27312 1 374 . 1 1 221 221 LEU H H 1 8.896 0.15 . 1 . . . . . 221 LEU H . 27312 1 375 . 1 1 221 221 LEU CA C 13 57.666 0.25 . 1 . . . . . 221 LEU CA . 27312 1 376 . 1 1 221 221 LEU N N 15 123.46 0.3 . 1 . . . . . 221 LEU N . 27312 1 stop_ save_