data_25290 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25290 _Entry.Title ; Solid-state NMR 13C and 15N resonance assignments of a seven-transmembrane helical protein Anabaena Sensory Rhodopsin in the E. coli Inner Membrane ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-17 _Entry.Accession_date 2014-10-17 _Entry.Last_release_date 2015-04-08 _Entry.Original_release_date 2015-04-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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.Entry_ID 1 Meaghan Ward . E. . 25290 2 Shenlin Wang . . . 25290 3 Rachel Munro . . . 25290 4 Emily Ritz . . . 25290 5 Ivan Hung . . . 25290 6 Peter Gor'kov . L. . 25290 7 Yunjiang Jiang . . . 25290 8 Hongjun Liang . . . 25290 9 Leonid Brown . S. . 25290 10 Vladimir Ladizhansky . . . 25290 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25290 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 167 25290 '15N chemical shifts' 82 25290 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 . . 2015-04-08 2014-10-17 update BMRB 'update entry citation' 25290 1 . . 2015-03-23 2014-10-17 original author 'original release' 25290 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17064 . 25290 BMRB 18595 . 25290 DBJ BAB74864 . 25290 PDB 1xio . 25290 PDB 2m3g . 25290 PDB 4tl3 . 25290 REF NP_487205 . 25290 REF WP_010997316 . 25290 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25290 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; In Situ Structural Studies of Anabaena Sensory Rhodopsin in the E. coli Membrane ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical Journal' _Citation.Journal_volume 108 _Citation.Journal_issue 7 _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 1683 _Citation.Page_last 1696 _Citation.Year 2015 _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.Entry_ID _Citation_author.Citation_ID 1 Meaghan Ward . E. . 25290 1 2 Shenlin Wang . . . 25290 1 3 Rachel Munro . . . 25290 1 4 Emily Ritz . . . 25290 1 5 Ivan Hung . . . 25290 1 6 Peter Gor'kov . L. . 25290 1 7 Yunjiang Jiang . . . 25290 1 8 Hongjun Liang . . . 25290 1 9 Leonid Brown . S. . 25290 1 10 Vladimir Ladizhansky . . . 25290 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25290 _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 $Anabaena_sensory_rhodopsin A . yes native no no . . . 25290 1 2 'ASR, chain 2' 1 $Anabaena_sensory_rhodopsin B . yes native no no . . . 25290 1 3 'ASR, chain 3' 1 $Anabaena_sensory_rhodopsin C . yes native no no . . . 25290 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Anabaena_sensory_rhodopsin _Entity.Sf_category entity _Entity.Sf_framecode Anabaena_sensory_rhodopsin _Entity.Entry_ID 25290 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Anabaena_sensory_rhodopsin _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 'not reported' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17064 . opsin . . . . . 100.00 235 100.00 100.00 3.44e-170 . . . . 25290 1 2 no BMRB 18595 . ASR . . . . . 100.00 235 100.00 100.00 3.44e-170 . . . . 25290 1 3 no PDB 1XIO . "Anabaena Sensory Rhodopsin" . . . . . 97.45 261 100.00 100.00 5.89e-165 . . . . 25290 1 4 no PDB 2M3G . "Structure Of Anabaena Sensory Rhodopsin Determined By Solid State Nmr Spectroscopy" . . . . . 100.00 235 100.00 100.00 3.44e-170 . . . . 25290 1 5 no PDB 4TL3 . "Mechanistic Insights From The Crystal Structure Of An Inward Proton- Transporting Anabaena Sensory Rhodopsin Mutant" . . . . . 96.17 226 99.56 100.00 2.13e-161 . . . . 25290 1 6 no DBJ BAB74864 . "bacteriorhodopsin [Nostoc sp. PCC 7120]" . . . . . 97.45 261 100.00 100.00 5.89e-165 . . . . 25290 1 7 no REF WP_010997316 . "lactococcin [Nostoc sp. PCC 7120]" . . . . . 97.45 261 100.00 100.00 5.89e-165 . . . . 25290 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25290 1 2 2 ASN . 25290 1 3 3 LEU . 25290 1 4 4 GLU . 25290 1 5 5 SER . 25290 1 6 6 LEU . 25290 1 7 7 LEU . 25290 1 8 8 HIS . 25290 1 9 9 TRP . 25290 1 10 10 ILE . 25290 1 11 11 TYR . 25290 1 12 12 VAL . 25290 1 13 13 ALA . 25290 1 14 14 GLY . 25290 1 15 15 MET . 25290 1 16 16 THR . 25290 1 17 17 ILE . 25290 1 18 18 GLY . 25290 1 19 19 ALA . 25290 1 20 20 LEU . 25290 1 21 21 HIS . 25290 1 22 22 PHE . 25290 1 23 23 TRP . 25290 1 24 24 SER . 25290 1 25 25 LEU . 25290 1 26 26 SER . 25290 1 27 27 ARG . 25290 1 28 28 ASN . 25290 1 29 29 PRO . 25290 1 30 30 ARG . 25290 1 31 31 GLY . 25290 1 32 32 VAL . 25290 1 33 33 PRO . 25290 1 34 34 GLN . 25290 1 35 35 TYR . 25290 1 36 36 GLU . 25290 1 37 37 TYR . 25290 1 38 38 LEU . 25290 1 39 39 VAL . 25290 1 40 40 ALA . 25290 1 41 41 MET . 25290 1 42 42 PHE . 25290 1 43 43 ILE . 25290 1 44 44 PRO . 25290 1 45 45 ILE . 25290 1 46 46 TRP . 25290 1 47 47 SER . 25290 1 48 48 GLY . 25290 1 49 49 LEU . 25290 1 50 50 ALA . 25290 1 51 51 TYR . 25290 1 52 52 MET . 25290 1 53 53 ALA . 25290 1 54 54 MET . 25290 1 55 55 ALA . 25290 1 56 56 ILE . 25290 1 57 57 ASP . 25290 1 58 58 GLN . 25290 1 59 59 GLY . 25290 1 60 60 LYS . 25290 1 61 61 VAL . 25290 1 62 62 GLU . 25290 1 63 63 ALA . 25290 1 64 64 ALA . 25290 1 65 65 GLY . 25290 1 66 66 GLN . 25290 1 67 67 ILE . 25290 1 68 68 ALA . 25290 1 69 69 HIS . 25290 1 70 70 TYR . 25290 1 71 71 ALA . 25290 1 72 72 ARG . 25290 1 73 73 TYR . 25290 1 74 74 ILE . 25290 1 75 75 ASP . 25290 1 76 76 TRP . 25290 1 77 77 MET . 25290 1 78 78 VAL . 25290 1 79 79 THR . 25290 1 80 80 THR . 25290 1 81 81 PRO . 25290 1 82 82 LEU . 25290 1 83 83 LEU . 25290 1 84 84 LEU . 25290 1 85 85 LEU . 25290 1 86 86 SER . 25290 1 87 87 LEU . 25290 1 88 88 SER . 25290 1 89 89 TRP . 25290 1 90 90 THR . 25290 1 91 91 ALA . 25290 1 92 92 MET . 25290 1 93 93 GLN . 25290 1 94 94 PHE . 25290 1 95 95 ILE . 25290 1 96 96 LYS . 25290 1 97 97 LYS . 25290 1 98 98 ASP . 25290 1 99 99 TRP . 25290 1 100 100 THR . 25290 1 101 101 LEU . 25290 1 102 102 ILE . 25290 1 103 103 GLY . 25290 1 104 104 PHE . 25290 1 105 105 LEU . 25290 1 106 106 MET . 25290 1 107 107 SER . 25290 1 108 108 THR . 25290 1 109 109 GLN . 25290 1 110 110 ILE . 25290 1 111 111 VAL . 25290 1 112 112 VAL . 25290 1 113 113 ILE . 25290 1 114 114 THR . 25290 1 115 115 SER . 25290 1 116 116 GLY . 25290 1 117 117 LEU . 25290 1 118 118 ILE . 25290 1 119 119 ALA . 25290 1 120 120 ASP . 25290 1 121 121 LEU . 25290 1 122 122 SER . 25290 1 123 123 GLU . 25290 1 124 124 ARG . 25290 1 125 125 ASP . 25290 1 126 126 TRP . 25290 1 127 127 VAL . 25290 1 128 128 ARG . 25290 1 129 129 TYR . 25290 1 130 130 LEU . 25290 1 131 131 TRP . 25290 1 132 132 TYR . 25290 1 133 133 ILE . 25290 1 134 134 CYS . 25290 1 135 135 GLY . 25290 1 136 136 VAL . 25290 1 137 137 CYS . 25290 1 138 138 ALA . 25290 1 139 139 PHE . 25290 1 140 140 LEU . 25290 1 141 141 ILE . 25290 1 142 142 ILE . 25290 1 143 143 LEU . 25290 1 144 144 TRP . 25290 1 145 145 GLY . 25290 1 146 146 ILE . 25290 1 147 147 TRP . 25290 1 148 148 ASN . 25290 1 149 149 PRO . 25290 1 150 150 LEU . 25290 1 151 151 ARG . 25290 1 152 152 ALA . 25290 1 153 153 LYS . 25290 1 154 154 THR . 25290 1 155 155 ARG . 25290 1 156 156 THR . 25290 1 157 157 GLN . 25290 1 158 158 SER . 25290 1 159 159 SER . 25290 1 160 160 GLU . 25290 1 161 161 LEU . 25290 1 162 162 ALA . 25290 1 163 163 ASN . 25290 1 164 164 LEU . 25290 1 165 165 TYR . 25290 1 166 166 ASP . 25290 1 167 167 LYS . 25290 1 168 168 LEU . 25290 1 169 169 VAL . 25290 1 170 170 THR . 25290 1 171 171 TYR . 25290 1 172 172 PHE . 25290 1 173 173 THR . 25290 1 174 174 VAL . 25290 1 175 175 LEU . 25290 1 176 176 TRP . 25290 1 177 177 ILE . 25290 1 178 178 GLY . 25290 1 179 179 TYR . 25290 1 180 180 PRO . 25290 1 181 181 ILE . 25290 1 182 182 VAL . 25290 1 183 183 TRP . 25290 1 184 184 ILE . 25290 1 185 185 ILE . 25290 1 186 186 GLY . 25290 1 187 187 PRO . 25290 1 188 188 SER . 25290 1 189 189 GLY . 25290 1 190 190 PHE . 25290 1 191 191 GLY . 25290 1 192 192 TRP . 25290 1 193 193 ILE . 25290 1 194 194 ASN . 25290 1 195 195 GLN . 25290 1 196 196 THR . 25290 1 197 197 ILE . 25290 1 198 198 ASP . 25290 1 199 199 THR . 25290 1 200 200 PHE . 25290 1 201 201 LEU . 25290 1 202 202 PHE . 25290 1 203 203 CYS . 25290 1 204 204 LEU . 25290 1 205 205 LEU . 25290 1 206 206 PRO . 25290 1 207 207 PHE . 25290 1 208 208 PHE . 25290 1 209 209 SER . 25290 1 210 210 LYS . 25290 1 211 211 VAL . 25290 1 212 212 GLY . 25290 1 213 213 PHE . 25290 1 214 214 SER . 25290 1 215 215 PHE . 25290 1 216 216 LEU . 25290 1 217 217 ASP . 25290 1 218 218 LEU . 25290 1 219 219 HIS . 25290 1 220 220 GLY . 25290 1 221 221 LEU . 25290 1 222 222 ARG . 25290 1 223 223 ASN . 25290 1 224 224 LEU . 25290 1 225 225 ASN . 25290 1 226 226 ASP . 25290 1 227 227 SER . 25290 1 228 228 ARG . 25290 1 229 229 GLN . 25290 1 230 230 HIS . 25290 1 231 231 HIS . 25290 1 232 232 HIS . 25290 1 233 233 HIS . 25290 1 234 234 HIS . 25290 1 235 235 HIS . 25290 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 25290 1 . ASN 2 2 25290 1 . LEU 3 3 25290 1 . GLU 4 4 25290 1 . SER 5 5 25290 1 . LEU 6 6 25290 1 . LEU 7 7 25290 1 . HIS 8 8 25290 1 . TRP 9 9 25290 1 . ILE 10 10 25290 1 . TYR 11 11 25290 1 . VAL 12 12 25290 1 . ALA 13 13 25290 1 . GLY 14 14 25290 1 . MET 15 15 25290 1 . THR 16 16 25290 1 . ILE 17 17 25290 1 . GLY 18 18 25290 1 . ALA 19 19 25290 1 . LEU 20 20 25290 1 . HIS 21 21 25290 1 . PHE 22 22 25290 1 . TRP 23 23 25290 1 . SER 24 24 25290 1 . LEU 25 25 25290 1 . SER 26 26 25290 1 . ARG 27 27 25290 1 . ASN 28 28 25290 1 . PRO 29 29 25290 1 . ARG 30 30 25290 1 . GLY 31 31 25290 1 . VAL 32 32 25290 1 . PRO 33 33 25290 1 . GLN 34 34 25290 1 . TYR 35 35 25290 1 . GLU 36 36 25290 1 . TYR 37 37 25290 1 . LEU 38 38 25290 1 . VAL 39 39 25290 1 . ALA 40 40 25290 1 . MET 41 41 25290 1 . PHE 42 42 25290 1 . ILE 43 43 25290 1 . PRO 44 44 25290 1 . ILE 45 45 25290 1 . TRP 46 46 25290 1 . SER 47 47 25290 1 . GLY 48 48 25290 1 . LEU 49 49 25290 1 . ALA 50 50 25290 1 . TYR 51 51 25290 1 . MET 52 52 25290 1 . ALA 53 53 25290 1 . MET 54 54 25290 1 . ALA 55 55 25290 1 . ILE 56 56 25290 1 . ASP 57 57 25290 1 . GLN 58 58 25290 1 . GLY 59 59 25290 1 . LYS 60 60 25290 1 . VAL 61 61 25290 1 . GLU 62 62 25290 1 . ALA 63 63 25290 1 . ALA 64 64 25290 1 . GLY 65 65 25290 1 . GLN 66 66 25290 1 . ILE 67 67 25290 1 . ALA 68 68 25290 1 . HIS 69 69 25290 1 . TYR 70 70 25290 1 . ALA 71 71 25290 1 . ARG 72 72 25290 1 . TYR 73 73 25290 1 . ILE 74 74 25290 1 . ASP 75 75 25290 1 . TRP 76 76 25290 1 . MET 77 77 25290 1 . VAL 78 78 25290 1 . THR 79 79 25290 1 . THR 80 80 25290 1 . PRO 81 81 25290 1 . LEU 82 82 25290 1 . LEU 83 83 25290 1 . LEU 84 84 25290 1 . LEU 85 85 25290 1 . SER 86 86 25290 1 . LEU 87 87 25290 1 . SER 88 88 25290 1 . TRP 89 89 25290 1 . THR 90 90 25290 1 . ALA 91 91 25290 1 . MET 92 92 25290 1 . GLN 93 93 25290 1 . PHE 94 94 25290 1 . ILE 95 95 25290 1 . LYS 96 96 25290 1 . LYS 97 97 25290 1 . ASP 98 98 25290 1 . TRP 99 99 25290 1 . THR 100 100 25290 1 . LEU 101 101 25290 1 . ILE 102 102 25290 1 . GLY 103 103 25290 1 . PHE 104 104 25290 1 . LEU 105 105 25290 1 . MET 106 106 25290 1 . SER 107 107 25290 1 . THR 108 108 25290 1 . GLN 109 109 25290 1 . ILE 110 110 25290 1 . VAL 111 111 25290 1 . VAL 112 112 25290 1 . ILE 113 113 25290 1 . THR 114 114 25290 1 . SER 115 115 25290 1 . GLY 116 116 25290 1 . LEU 117 117 25290 1 . ILE 118 118 25290 1 . ALA 119 119 25290 1 . ASP 120 120 25290 1 . LEU 121 121 25290 1 . SER 122 122 25290 1 . GLU 123 123 25290 1 . ARG 124 124 25290 1 . ASP 125 125 25290 1 . TRP 126 126 25290 1 . VAL 127 127 25290 1 . ARG 128 128 25290 1 . TYR 129 129 25290 1 . LEU 130 130 25290 1 . TRP 131 131 25290 1 . TYR 132 132 25290 1 . ILE 133 133 25290 1 . CYS 134 134 25290 1 . GLY 135 135 25290 1 . VAL 136 136 25290 1 . CYS 137 137 25290 1 . ALA 138 138 25290 1 . PHE 139 139 25290 1 . LEU 140 140 25290 1 . ILE 141 141 25290 1 . ILE 142 142 25290 1 . LEU 143 143 25290 1 . TRP 144 144 25290 1 . GLY 145 145 25290 1 . ILE 146 146 25290 1 . TRP 147 147 25290 1 . ASN 148 148 25290 1 . PRO 149 149 25290 1 . LEU 150 150 25290 1 . ARG 151 151 25290 1 . ALA 152 152 25290 1 . LYS 153 153 25290 1 . THR 154 154 25290 1 . ARG 155 155 25290 1 . THR 156 156 25290 1 . GLN 157 157 25290 1 . SER 158 158 25290 1 . SER 159 159 25290 1 . GLU 160 160 25290 1 . LEU 161 161 25290 1 . ALA 162 162 25290 1 . ASN 163 163 25290 1 . LEU 164 164 25290 1 . TYR 165 165 25290 1 . ASP 166 166 25290 1 . LYS 167 167 25290 1 . LEU 168 168 25290 1 . VAL 169 169 25290 1 . THR 170 170 25290 1 . TYR 171 171 25290 1 . PHE 172 172 25290 1 . THR 173 173 25290 1 . VAL 174 174 25290 1 . LEU 175 175 25290 1 . TRP 176 176 25290 1 . ILE 177 177 25290 1 . GLY 178 178 25290 1 . TYR 179 179 25290 1 . PRO 180 180 25290 1 . ILE 181 181 25290 1 . VAL 182 182 25290 1 . TRP 183 183 25290 1 . ILE 184 184 25290 1 . ILE 185 185 25290 1 . GLY 186 186 25290 1 . PRO 187 187 25290 1 . SER 188 188 25290 1 . GLY 189 189 25290 1 . PHE 190 190 25290 1 . GLY 191 191 25290 1 . TRP 192 192 25290 1 . ILE 193 193 25290 1 . ASN 194 194 25290 1 . GLN 195 195 25290 1 . THR 196 196 25290 1 . ILE 197 197 25290 1 . ASP 198 198 25290 1 . THR 199 199 25290 1 . PHE 200 200 25290 1 . LEU 201 201 25290 1 . PHE 202 202 25290 1 . CYS 203 203 25290 1 . LEU 204 204 25290 1 . LEU 205 205 25290 1 . PRO 206 206 25290 1 . PHE 207 207 25290 1 . PHE 208 208 25290 1 . SER 209 209 25290 1 . LYS 210 210 25290 1 . VAL 211 211 25290 1 . GLY 212 212 25290 1 . PHE 213 213 25290 1 . SER 214 214 25290 1 . PHE 215 215 25290 1 . LEU 216 216 25290 1 . ASP 217 217 25290 1 . LEU 218 218 25290 1 . HIS 219 219 25290 1 . GLY 220 220 25290 1 . LEU 221 221 25290 1 . ARG 222 222 25290 1 . ASN 223 223 25290 1 . LEU 224 224 25290 1 . ASN 225 225 25290 1 . ASP 226 226 25290 1 . SER 227 227 25290 1 . ARG 228 228 25290 1 . GLN 229 229 25290 1 . HIS 230 230 25290 1 . HIS 231 231 25290 1 . HIS 232 232 25290 1 . HIS 233 233 25290 1 . HIS 234 234 25290 1 . HIS 235 235 25290 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 25290 _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 $Anabaena_sensory_rhodopsin . 103690 organism . 'Anabaeba sp. PCC7120' 'Anabaena (Nostoc)' . . Bacteria . Anabaena PCC7120 . . . . . . . . . . . . . 25290 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 25290 _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 $Anabaena_sensory_rhodopsin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pKJ606 . . . 25290 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_IM-ASR _Sample.Sf_category sample _Sample.Sf_framecode IM-ASR _Sample.Entry_ID 25290 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details 'Anabaena Sensory Rhodopsin in the E. coli inner membrane' _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 IM-ASR '[U-100% 13C; U-100% 15N]' . . 1 $Anabaena_sensory_rhodopsin . . 0.053 . . mg/ul . . . . 25290 1 2 'E. coli inner membrane' 'natural abundance' . . . . . . 0.93 . . mg/ul . . . . 25290 1 3 H2O 'natural abundance' . . . . . . 100 . . % . . . . 25290 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 25290 _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 25290 1 pressure 1 . atm 25290 1 temperature 273 . K 25290 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25290 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25290 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25290 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25290 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25290 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25290 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25290 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25290 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25290 3 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 25290 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25290 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25290 _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 . . . 25290 1 2 spectrometer_2 Bruker Avance . 900 . . . 25290 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 25290 _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 NCA' no . . . . . . . . . . 1 $IM-ASR solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25290 1 2 '3D CANCO' no . . . . . . . . . . 1 $IM-ASR solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25290 1 3 '3D NCACB' no . . . . . . . . . . 1 $IM-ASR solid . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25290 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 25290 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 adamantane 'methyl carbon' . . . . ppm 40.48 external direct 1 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 25290 1 N 15 adamantane 'methyl carbon' . . . . ppm 40.48 external indirect 0.402979946 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 25290 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_IM_ASR _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_IM_ASR _Assigned_chem_shift_list.Entry_ID 25290 _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 '2D NCA' . . . 25290 1 2 '3D CANCO' . . . 25290 1 3 '3D NCACB' . . . 25290 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.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 13 176.944 0.25 . 1 . . . . 6 LEU CO . 25290 1 2 . 1 1 6 6 LEU CA C 13 57.172 0.25 . 1 . . . . 6 LEU CA . 25290 1 3 . 1 1 6 6 LEU CB C 13 42.526 0.25 . 1 . . . . 6 LEU CB . 25290 1 4 . 1 1 6 6 LEU N N 15 116.277 0.3 . 1 . . . . 6 LEU N . 25290 1 5 . 1 1 7 7 LEU CA C 13 58.846 0.25 . 1 . . . . 7 LEU CA . 25290 1 6 . 1 1 7 7 LEU N N 15 117.462 0.3 . 1 . . . . 7 LEU N . 25290 1 7 . 1 1 12 12 VAL CA C 13 67.836 0.25 . 1 . . . . 12 VAL CA . 25290 1 8 . 1 1 12 12 VAL CB C 13 31.773 0.25 . 1 . . . . 12 VAL CB . 25290 1 9 . 1 1 12 12 VAL N N 15 121.199 0.3 . 1 . . . . 12 VAL N . 25290 1 10 . 1 1 14 14 GLY C C 13 175.56 0.25 . 1 . . . . 14 GLY CO . 25290 1 11 . 1 1 15 15 MET CA C 13 56.777 0.25 . 1 . . . . 15 MET CA . 25290 1 12 . 1 1 15 15 MET CB C 13 33.616 0.25 . 1 . . . . 15 MET CB . 25290 1 13 . 1 1 15 15 MET N N 15 120.9455 0.3 . 1 . . . . 15 MET N . 25290 1 14 . 1 1 16 16 THR C C 13 176.12 0.25 . 1 . . . . 16 THR CO . 25290 1 15 . 1 1 17 17 ILE CA C 13 65.406 0.25 . 1 . . . . 17 ILE CA . 25290 1 16 . 1 1 17 17 ILE CB C 13 37.914 0.25 . 1 . . . . 17 ILE CB . 25290 1 17 . 1 1 17 17 ILE N N 15 119.287 0.3 . 1 . . . . 17 ILE N . 25290 1 18 . 1 1 19 19 ALA CA C 13 56.586 0.25 . 1 . . . . 19 ALA CA . 25290 1 19 . 1 1 19 19 ALA CB C 13 18.131 0.25 . 1 . . . . 19 ALA CB . 25290 1 20 . 1 1 19 19 ALA N N 15 122.137 0.3 . 1 . . . . 19 ALA N . 25290 1 21 . 1 1 28 28 ASN C C 13 173.475 0.25 . 1 . . . . 28 ASN CO . 25290 1 22 . 1 1 28 28 ASN CA C 13 50.895 0.25 . 1 . . . . 28 ASN CA . 25290 1 23 . 1 1 28 28 ASN N N 15 115.407 0.3 . 1 . . . . 28 ASN N . 25290 1 24 . 1 1 29 29 PRO CA C 13 65.123 0.25 . 1 . . . . 29 PRO CA . 25290 1 25 . 1 1 29 29 PRO N N 15 130.223 0.3 . 1 . . . . 29 PRO N . 25290 1 26 . 1 1 32 32 VAL CA C 13 59.633 0.25 . 1 . . . . 32 VAL CA . 25290 1 27 . 1 1 32 32 VAL CB C 13 32.203 0.25 . 1 . . . . 32 VAL CB . 25290 1 28 . 1 1 32 32 VAL N N 15 125.535 0.3 . 1 . . . . 32 VAL N . 25290 1 29 . 1 1 36 36 GLU C C 13 179.25 0.25 . 1 . . . . 36 GLU CO . 25290 1 30 . 1 1 37 37 TYR CA C 13 63.404 0.25 . 1 . . . . 37 TYR CA . 25290 1 31 . 1 1 37 37 TYR N N 15 115.321 0.3 . 1 . . . . 37 TYR N . 25290 1 32 . 1 1 38 38 LEU CA C 13 58.93 0.25 . 1 . . . . 38 LEU CA . 25290 1 33 . 1 1 38 38 LEU CB C 13 41.605 0.25 . 1 . . . . 38 LEU CB . 25290 1 34 . 1 1 38 38 LEU N N 15 121.551 0.3 . 1 . . . . 38 LEU N . 25290 1 35 . 1 1 40 40 ALA C C 13 177.87 0.25 . 1 . . . . 40 ALA CO . 25290 1 36 . 1 1 41 41 MET CA C 13 59.178 0.25 . 1 . . . . 41 MET CA . 25290 1 37 . 1 1 41 41 MET N N 15 111.903 0.3 . 1 . . . . 41 MET N . 25290 1 38 . 1 1 43 43 ILE C C 13 174.396 0.25 . 1 . . . . 43 ILE CO . 25290 1 39 . 1 1 43 43 ILE CA C 13 67.728 0.25 . 1 . . . . 43 ILE CA . 25290 1 40 . 1 1 43 43 ILE N N 15 114.919 0.3 . 1 . . . . 43 ILE N . 25290 1 41 . 1 1 44 44 PRO CA C 13 65.338 0.25 . 1 . . . . 44 PRO CA . 25290 1 42 . 1 1 44 44 PRO N N 15 132.001 0.3 . 1 . . . . 44 PRO N . 25290 1 43 . 1 1 46 46 TRP C C 13 176.81 0.25 . 1 . . . . 46 TRP CO . 25290 1 44 . 1 1 47 47 SER CA C 13 60.00766667 0.25 . 1 . . . . 47 SER CA . 25290 1 45 . 1 1 47 47 SER CB C 13 65.57 0.25 . 1 . . . . 47 SER CB . 25290 1 46 . 1 1 47 47 SER N N 15 106.1343333 0.3 . 1 . . . . 47 SER N . 25290 1 47 . 1 1 48 48 GLY C C 13 174.92 0.25 . 1 . . . . 48 GLY CO . 25290 1 48 . 1 1 49 49 LEU CA C 13 58.25 0.25 . 1 . . . . 49 LEU CA . 25290 1 49 . 1 1 49 49 LEU N N 15 121.39 0.3 . 1 . . . . 49 LEU N . 25290 1 50 . 1 1 52 52 MET C C 13 177.514 0.25 . 1 . . . . 52 MET CO . 25290 1 51 . 1 1 52 52 MET CA C 13 59.02 0.25 . 1 . . . . 52 MET CA . 25290 1 52 . 1 1 52 52 MET CB C 13 33.125 0.25 . 1 . . . . 52 MET CB . 25290 1 53 . 1 1 52 52 MET N N 15 126.1545 0.3 . 1 . . . . 52 MET N . 25290 1 54 . 1 1 53 53 ALA C C 13 179.186 0.25 . 1 . . . . 53 ALA CO . 25290 1 55 . 1 1 53 53 ALA CA C 13 54.7065 0.25 . 1 . . . . 53 ALA CA . 25290 1 56 . 1 1 53 53 ALA CB C 13 17.762 0.25 . 1 . . . . 53 ALA CB . 25290 1 57 . 1 1 53 53 ALA N N 15 118.4485 0.3 . 1 . . . . 53 ALA N . 25290 1 58 . 1 1 54 54 MET CA C 13 58.548 0.25 . 1 . . . . 54 MET CA . 25290 1 59 . 1 1 54 54 MET CB C 13 31.22 0.25 . 1 . . . . 54 MET CB . 25290 1 60 . 1 1 54 54 MET N N 15 113.205 0.3 . 1 . . . . 54 MET N . 25290 1 61 . 1 1 55 55 ALA C C 13 179.185 0.25 . 1 . . . . 55 ALA CO . 25290 1 62 . 1 1 55 55 ALA CA C 13 55.531 0.25 . 1 . . . . 55 ALA CA . 25290 1 63 . 1 1 55 55 ALA CB C 13 15.612 0.25 . 1 . . . . 55 ALA CB . 25290 1 64 . 1 1 55 55 ALA N N 15 126.941 0.3 . 1 . . . . 55 ALA N . 25290 1 65 . 1 1 56 56 ILE CA C 13 60.4845 0.25 . 1 . . . . 56 ILE CA . 25290 1 66 . 1 1 56 56 ILE N N 15 111.0945 0.3 . 1 . . . . 56 ILE N . 25290 1 67 . 1 1 57 57 ASP C C 13 174.764 0.25 . 1 . . . . 57 ASP CO . 25290 1 68 . 1 1 57 57 ASP CA C 13 56.351 0.25 . 1 . . . . 57 ASP CA . 25290 1 69 . 1 1 57 57 ASP CB C 13 38.717 0.25 . 1 . . . . 57 ASP CB . 25290 1 70 . 1 1 57 57 ASP N N 15 114.754 0.3 . 1 . . . . 57 ASP N . 25290 1 71 . 1 1 58 58 GLN CA C 13 54.5355 0.25 . 1 . . . . 58 GLN CA . 25290 1 72 . 1 1 58 58 GLN CB C 13 32.08 0.25 . 1 . . . . 58 GLN CB . 25290 1 73 . 1 1 58 58 GLN N N 15 117.6645 0.3 . 1 . . . . 58 GLN N . 25290 1 74 . 1 1 59 59 GLY CA C 13 45.829 0.25 . 1 . . . . 59 GLY CA . 25290 1 75 . 1 1 59 59 GLY N N 15 101.778 0.3 . 1 . . . . 59 GLY N . 25290 1 76 . 1 1 60 60 LYS CA C 13 53.773 0.25 . 1 . . . . 60 LYS CA . 25290 1 77 . 1 1 60 60 LYS CB C 13 36.443 0.25 . 1 . . . . 60 LYS CB . 25290 1 78 . 1 1 60 60 LYS N N 15 114.051 0.3 . 1 . . . . 60 LYS N . 25290 1 79 . 1 1 61 61 VAL CA C 13 59.984 0.25 . 1 . . . . 61 VAL CA . 25290 1 80 . 1 1 61 61 VAL CB C 13 35.706 0.25 . 1 . . . . 61 VAL CB . 25290 1 81 . 1 1 61 61 VAL N N 15 120.145 0.3 . 1 . . . . 61 VAL N . 25290 1 82 . 1 1 63 63 ALA CA C 13 52.25 0.25 . 1 . . . . 63 ALA CA . 25290 1 83 . 1 1 63 63 ALA CB C 13 21.388 0.25 . 1 . . . . 63 ALA CB . 25290 1 84 . 1 1 63 63 ALA N N 15 128.934 0.3 . 1 . . . . 63 ALA N . 25290 1 85 . 1 1 66 66 GLN C C 13 172.43 0.25 . 1 . . . . 66 GLN CO . 25290 1 86 . 1 1 67 67 ILE CA C 13 58.9565 0.25 . 1 . . . . 67 ILE CA . 25290 1 87 . 1 1 67 67 ILE CB C 13 35.951 0.25 . 1 . . . . 67 ILE CB . 25290 1 88 . 1 1 67 67 ILE N N 15 119.1605 0.3 . 1 . . . . 67 ILE N . 25290 1 89 . 1 1 68 68 ALA CA C 13 50.804 0.25 . 1 . . . . 68 ALA CA . 25290 1 90 . 1 1 68 68 ALA N N 15 134.284 0.3 . 1 . . . . 68 ALA N . 25290 1 91 . 1 1 71 71 ALA CA C 13 55.18 0.25 . 1 . . . . 71 ALA CA . 25290 1 92 . 1 1 71 71 ALA CB C 13 17.332 0.25 . 1 . . . . 71 ALA CB . 25290 1 93 . 1 1 71 71 ALA N N 15 124.832 0.3 . 1 . . . . 71 ALA N . 25290 1 94 . 1 1 73 73 TYR C C 13 177.334 0.25 . 1 . . . . 73 TYR CO . 25290 1 95 . 1 1 73 73 TYR CA C 13 59.867 0.25 . 1 . . . . 73 TYR CA . 25290 1 96 . 1 1 73 73 TYR CB C 13 38.041 0.25 . 1 . . . . 73 TYR CB . 25290 1 97 . 1 1 73 73 TYR N N 15 112.762 0.3 . 1 . . . . 73 TYR N . 25290 1 98 . 1 1 74 74 ILE CA C 13 65.664 0.25 . 1 . . . . 74 ILE CA . 25290 1 99 . 1 1 74 74 ILE N N 15 119.971 0.3 . 1 . . . . 74 ILE N . 25290 1 100 . 1 1 75 75 ASP CA C 13 56 0.25 . 1 . . . . 75 ASP CA . 25290 1 101 . 1 1 75 75 ASP CB C 13 40.867 0.25 . 1 . . . . 75 ASP CB . 25290 1 102 . 1 1 75 75 ASP N N 15 116.043 0.3 . 1 . . . . 75 ASP N . 25290 1 103 . 1 1 76 76 TRP CA C 13 56.586 0.25 . 1 . . . . 76 TRP CA . 25290 1 104 . 1 1 76 76 TRP CB C 13 29.929 0.25 . 1 . . . . 76 TRP CB . 25290 1 105 . 1 1 76 76 TRP N N 15 114.871 0.3 . 1 . . . . 76 TRP N . 25290 1 106 . 1 1 77 77 MET C C 13 172.92 0.25 . 1 . . . . 77 MET CO . 25290 1 107 . 1 1 78 78 VAL C C 13 178.746 0.25 . 1 . . . . 78 VAL CO . 25290 1 108 . 1 1 78 78 VAL CA C 13 63.25166667 0.25 . 1 . . . . 78 VAL CA . 25290 1 109 . 1 1 78 78 VAL CB C 13 34.354 0.25 . 1 . . . . 78 VAL CB . 25290 1 110 . 1 1 78 78 VAL N N 15 109.8813333 0.3 . 1 . . . . 78 VAL N . 25290 1 111 . 1 1 79 79 THR CA C 13 66.0325 0.25 . 1 . . . . 79 THR CA . 25290 1 112 . 1 1 79 79 THR N N 15 107.369 0.3 . 1 . . . . 79 THR N . 25290 1 113 . 1 1 80 80 THR CA C 13 67.061 0.25 . 1 . . . . 80 THR CA . 25290 1 114 . 1 1 80 80 THR N N 15 113.048 0.3 . 1 . . . . 80 THR N . 25290 1 115 . 1 1 82 82 LEU CA C 13 57.523 0.25 . 1 . . . . 82 LEU CA . 25290 1 116 . 1 1 82 82 LEU CB C 13 41.297 0.25 . 1 . . . . 82 LEU CB . 25290 1 117 . 1 1 82 82 LEU N N 15 113.699 0.3 . 1 . . . . 82 LEU N . 25290 1 118 . 1 1 91 91 ALA CA C 13 53.891 0.25 . 1 . . . . 91 ALA CA . 25290 1 119 . 1 1 91 91 ALA CB C 13 18.807 0.25 . 1 . . . . 91 ALA CB . 25290 1 120 . 1 1 91 91 ALA N N 15 119.91 0.3 . 1 . . . . 91 ALA N . 25290 1 121 . 1 1 92 92 MET CA C 13 53.533 0.25 . 1 . . . . 92 MET CA . 25290 1 122 . 1 1 92 92 MET N N 15 109.427 0.3 . 1 . . . . 92 MET N . 25290 1 123 . 1 1 96 96 LYS CA C 13 56.586 0.25 . 1 . . . . 96 LYS CA . 25290 1 124 . 1 1 96 96 LYS CB C 13 32.879 0.25 . 1 . . . . 96 LYS CB . 25290 1 125 . 1 1 96 96 LYS N N 15 119.324 0.3 . 1 . . . . 96 LYS N . 25290 1 126 . 1 1 100 100 THR C C 13 178.51 0.25 . 1 . . . . 101 THR CO . 25290 1 127 . 1 1 102 102 ILE CA C 13 66.533 0.25 . 1 . . . . 102 ILE CA . 25290 1 128 . 1 1 102 102 ILE CB C 13 38.163 0.25 . 1 . . . . 102 ILE CB . 25290 1 129 . 1 1 102 102 ILE N N 15 117.1565 0.3 . 1 . . . . 102 ILE N . 25290 1 130 . 1 1 106 106 MET CA C 13 61.156 0.25 . 1 . . . . 106 MET CA . 25290 1 131 . 1 1 106 106 MET CB C 13 35.091 0.25 . 1 . . . . 106 MET CB . 25290 1 132 . 1 1 106 106 MET N N 15 113.699 0.3 . 1 . . . . 106 MET N . 25290 1 133 . 1 1 109 109 GLN CA C 13 57.172 0.25 . 1 . . . . 109 GLN CA . 25290 1 134 . 1 1 109 109 GLN CB C 13 26.673 0.25 . 1 . . . . 109 GLN CB . 25290 1 135 . 1 1 109 109 GLN N N 15 121.434 0.3 . 1 . . . . 109 GLN N . 25290 1 136 . 1 1 111 111 VAL CA C 13 67.719 0.25 . 1 . . . . 111 VAL CA . 25290 1 137 . 1 1 111 111 VAL CB C 13 30.851 0.25 . 1 . . . . 111 VAL CB . 25290 1 138 . 1 1 111 111 VAL N N 15 123.074 0.3 . 1 . . . . 111 VAL N . 25290 1 139 . 1 1 112 112 VAL CA C 13 67.133 0.25 . 1 . . . . 112 VAL CA . 25290 1 140 . 1 1 112 112 VAL CB C 13 31.711 0.25 . 1 . . . . 112 VAL CB . 25290 1 141 . 1 1 112 112 VAL N N 15 121.082 0.3 . 1 . . . . 112 VAL N . 25290 1 142 . 1 1 113 113 ILE CA C 13 61.508 0.25 . 1 . . . . 113 ILE CA . 25290 1 143 . 1 1 113 113 ILE CB C 13 34.599 0.25 . 1 . . . . 113 ILE CB . 25290 1 144 . 1 1 113 113 ILE N N 15 112.996 0.3 . 1 . . . . 113 ILE N . 25290 1 145 . 1 1 115 115 SER CA C 13 63.617 0.25 . 1 . . . . 115 SER CA . 25290 1 146 . 1 1 115 115 SER CB C 13 62.436 0.25 . 1 . . . . 115 SER CB . 25290 1 147 . 1 1 115 115 SER N N 15 115.574 0.3 . 1 . . . . 115 SER N . 25290 1 148 . 1 1 117 117 LEU CA C 13 57.172 0.25 . 1 . . . . 117 LEU CA . 25290 1 149 . 1 1 117 117 LEU CB C 13 40.867 0.25 . 1 . . . . 117 LEU CB . 25290 1 150 . 1 1 117 117 LEU N N 15 123.191 0.3 . 1 . . . . 117 LEU N . 25290 1 151 . 1 1 119 119 ALA CA C 13 56.117 0.25 . 1 . . . . 119 ALA CA . 25290 1 152 . 1 1 119 119 ALA CB C 13 19.36 0.25 . 1 . . . . 119 ALA CB . 25290 1 153 . 1 1 119 119 ALA N N 15 122.488 0.3 . 1 . . . . 119 ALA N . 25290 1 154 . 1 1 120 120 ASP CA C 13 54.125 0.25 . 1 . . . . 120 ASP CA . 25290 1 155 . 1 1 120 120 ASP CB C 13 40.314 0.25 . 1 . . . . 120 ASP CB . 25290 1 156 . 1 1 120 120 ASP N N 15 112.996 0.3 . 1 . . . . 120 ASP N . 25290 1 157 . 1 1 122 122 SER CA C 13 61.625 0.25 . 1 . . . . 122 SER CA . 25290 1 158 . 1 1 122 122 SER CB C 13 63.849 0.25 . 1 . . . . 122 SER CB . 25290 1 159 . 1 1 122 122 SER N N 15 115.574 0.3 . 1 . . . . 122 SER N . 25290 1 160 . 1 1 127 127 VAL CA C 13 65.844 0.25 . 1 . . . . 127 VAL CA . 25290 1 161 . 1 1 127 127 VAL CB C 13 31.65 0.25 . 1 . . . . 127 VAL CB . 25290 1 162 . 1 1 127 127 VAL N N 15 122.254 0.3 . 1 . . . . 127 VAL N . 25290 1 163 . 1 1 131 131 TRP CA C 13 61.106 0.25 . 1 . . . . 131 TRP CA . 25290 1 164 . 1 1 131 131 TRP CB C 13 29.253 0.25 . 1 . . . . 131 TRP CB . 25290 1 165 . 1 1 131 131 TRP N N 15 119.559 0.3 . 1 . . . . 131 TRP N . 25290 1 166 . 1 1 134 134 CYS CA C 13 65.4 0.25 . 1 . . . . 134 CYS CA . 25290 1 167 . 1 1 134 134 CYS CB C 13 25.812 0.25 . 1 . . . . 134 CYS CB . 25290 1 168 . 1 1 134 134 CYS N N 15 121.316 0.3 . 1 . . . . 134 CYS N . 25290 1 169 . 1 1 135 135 GLY C C 13 175.99 0.25 . 1 . . . . 135 GLY CO . 25290 1 170 . 1 1 136 136 VAL CA C 13 67.4265 0.25 . 1 . . . . 136 VAL CA . 25290 1 171 . 1 1 136 136 VAL CB C 13 31.281 0.25 . 1 . . . . 136 VAL CB . 25290 1 172 . 1 1 136 136 VAL N N 15 123.348 0.3 . 1 . . . . 136 VAL N . 25290 1 173 . 1 1 137 137 CYS CA C 13 65.492 0.25 . 1 . . . . 137 CYS CA . 25290 1 174 . 1 1 137 137 CYS CB C 13 26.857 0.25 . 1 . . . . 137 CYS CB . 25290 1 175 . 1 1 137 137 CYS N N 15 118.621 0.3 . 1 . . . . 137 CYS N . 25290 1 176 . 1 1 145 145 GLY C C 13 175.55 0.25 . 1 . . . . 145 GLY CO . 25290 1 177 . 1 1 146 146 ILE C C 13 178.203 0.25 . 1 . . . . 146 ILE CO . 25290 1 178 . 1 1 146 146 ILE CA C 13 64.2605 0.25 . 1 . . . . 146 ILE CA . 25290 1 179 . 1 1 146 146 ILE CB C 13 35.621 0.25 . 1 . . . . 146 ILE CB . 25290 1 180 . 1 1 146 146 ILE N N 15 114.6445 0.3 . 1 . . . . 146 ILE N . 25290 1 181 . 1 1 147 147 TRP CA C 13 60.029 0.25 . 1 . . . . 147 TRP CA . 25290 1 182 . 1 1 147 147 TRP CB C 13 30.052 0.25 . 1 . . . . 147 TRP CB . 25290 1 183 . 1 1 147 147 TRP N N 15 120.887 0.3 . 1 . . . . 147 TRP N . 25290 1 184 . 1 1 154 154 THR CA C 13 63.785 0.25 . 1 . . . . 154 THR CA . 25290 1 185 . 1 1 154 154 THR N N 15 107.149 0.3 . 1 . . . . 154 THR N . 25290 1 186 . 1 1 156 156 THR CA C 13 61.51 0.25 . 1 . . . . 156 THR CA . 25290 1 187 . 1 1 156 156 THR N N 15 104.504 0.3 . 1 . . . . 156 THR N . 25290 1 188 . 1 1 158 158 SER CA C 13 57.875 0.25 . 1 . . . . 158 SER CA . 25290 1 189 . 1 1 158 158 SER CB C 13 65.201 0.25 . 1 . . . . 158 SER CB . 25290 1 190 . 1 1 158 158 SER N N 15 112.996 0.3 . 1 . . . . 158 SER N . 25290 1 191 . 1 1 159 159 SER CA C 13 61.508 0.25 . 1 . . . . 159 SER CA . 25290 1 192 . 1 1 159 159 SER CB C 13 62.743 0.25 . 1 . . . . 159 SER CB . 25290 1 193 . 1 1 159 159 SER N N 15 118.504 0.3 . 1 . . . . 159 SER N . 25290 1 194 . 1 1 162 162 ALA CA C 13 56 0.25 . 1 . . . . 162 ALA CA . 25290 1 195 . 1 1 162 162 ALA CB C 13 17.824 0.25 . 1 . . . . 162 ALA CB . 25290 1 196 . 1 1 162 162 ALA N N 15 122.957 0.3 . 1 . . . . 162 ALA N . 25290 1 197 . 1 1 164 164 LEU C C 13 178.2 0.25 . 1 . . . . 164 LEU CO . 25290 1 198 . 1 1 165 165 TYR CA C 13 63.941 0.25 . 1 . . . . 165 TYR CA . 25290 1 199 . 1 1 165 165 TYR N N 15 119.286 0.3 . 1 . . . . 165 TYR N . 25290 1 200 . 1 1 166 166 ASP CA C 13 56.937 0.25 . 1 . . . . 166 ASP CA . 25290 1 201 . 1 1 166 166 ASP CB C 13 39.331 0.25 . 1 . . . . 166 ASP CB . 25290 1 202 . 1 1 166 166 ASP N N 15 119.207 0.3 . 1 . . . . 166 ASP N . 25290 1 203 . 1 1 169 169 VAL CA C 13 64.672 0.25 . 1 . . . . 169 VAL CA . 25290 1 204 . 1 1 169 169 VAL CB C 13 29.929 0.25 . 1 . . . . 169 VAL CB . 25290 1 205 . 1 1 169 169 VAL N N 15 120.379 0.3 . 1 . . . . 169 VAL N . 25290 1 206 . 1 1 171 171 TYR C C 13 175.32 0.25 . 1 . . . . 171 TYR CO . 25290 1 207 . 1 1 172 172 PHE CA C 13 60.718 0.25 . 1 . . . . 172 PHE CA . 25290 1 208 . 1 1 172 172 PHE N N 15 118.329 0.3 . 1 . . . . 172 PHE N . 25290 1 209 . 1 1 173 173 THR CA C 13 68.941 0.25 . 1 . . . . 173 THR CA . 25290 1 210 . 1 1 173 173 THR N N 15 113.129 0.3 . 1 . . . . 173 THR N . 25290 1 211 . 1 1 175 175 LEU C C 13 179.745 0.25 . 1 . . . . 175 LEU CO . 25290 1 212 . 1 1 176 176 TRP CA C 13 62.647 0.25 . 1 . . . . 176 TRP CA . 25290 1 213 . 1 1 176 176 TRP N N 15 117.705 0.3 . 1 . . . . 176 TRP N . 25290 1 214 . 1 1 178 178 GLY CA C 13 47.588 0.25 . 1 . . . . 178 GLY CA . 25290 1 215 . 1 1 178 178 GLY N N 15 102.389 0.3 . 1 . . . . 178 GLY N . 25290 1 216 . 1 1 181 181 ILE C C 13 175.69 0.25 . 1 . . . . 181 ILE CO . 25290 1 217 . 1 1 182 182 VAL CA C 13 66.9825 0.25 . 1 . . . . 182 VAL CA . 25290 1 218 . 1 1 182 182 VAL CB C 13 30.728 0.25 . 1 . . . . 182 VAL CB . 25290 1 219 . 1 1 182 182 VAL N N 15 118.7385 0.3 . 1 . . . . 182 VAL N . 25290 1 220 . 1 1 183 183 TRP CA C 13 62.68 0.25 . 1 . . . . 183 TRP CA . 25290 1 221 . 1 1 183 183 TRP CB C 13 32.387 0.25 . 1 . . . . 183 TRP CB . 25290 1 222 . 1 1 183 183 TRP N N 15 116.395 0.3 . 1 . . . . 183 TRP N . 25290 1 223 . 1 1 184 184 ILE CA C 13 61.039 0.25 . 1 . . . . 184 ILE CA . 25290 1 224 . 1 1 184 184 ILE CB C 13 39.577 0.25 . 1 . . . . 184 ILE CB . 25290 1 225 . 1 1 184 184 ILE N N 15 113.348 0.3 . 1 . . . . 184 ILE N . 25290 1 226 . 1 1 186 186 GLY C C 13 174.02 0.25 . 1 . . . . 186 GLY CO . 25290 1 227 . 1 1 187 187 PRO CA C 13 64.846 0.25 . 1 . . . . 187 PRO CA . 25290 1 228 . 1 1 187 187 PRO N N 15 133.531 0.3 . 1 . . . . 187 PRO N . 25290 1 229 . 1 1 193 193 ILE C C 13 175.278 0.25 . 1 . . . . 193 ILE CO . 25290 1 230 . 1 1 193 193 ILE CA C 13 58.559 0.25 . 1 . . . . 193 ILE CA . 25290 1 231 . 1 1 193 193 ILE N N 15 107.111 0.3 . 1 . . . . 193 ILE N . 25290 1 232 . 1 1 194 194 ASN CA C 13 51.353 0.25 . 1 . . . . 194 ASN CA . 25290 1 233 . 1 1 194 194 ASN N N 15 118.319 0.3 . 1 . . . . 194 ASN N . 25290 1 234 . 1 1 195 195 GLN CA C 13 57.758 0.25 . 1 . . . . 195 GLN CA . 25290 1 235 . 1 1 195 195 GLN CB C 13 29.253 0.25 . 1 . . . . 195 GLN CB . 25290 1 236 . 1 1 195 195 GLN N N 15 115.809 0.3 . 1 . . . . 195 GLN N . 25290 1 237 . 1 1 200 200 PHE CA C 13 61.976 0.25 . 1 . . . . 200 PHE CA . 25290 1 238 . 1 1 200 200 PHE CB C 13 38.962 0.25 . 1 . . . . 200 PHE CB . 25290 1 239 . 1 1 200 200 PHE N N 15 120.379 0.3 . 1 . . . . 200 PHE N . 25290 1 240 . 1 1 201 201 LEU C C 13 178.39 0.25 . 1 . . . . 201 LEU CO . 25290 1 241 . 1 1 202 202 PHE CA C 13 60.7565 0.25 . 1 . . . . 202 PHE CA . 25290 1 242 . 1 1 202 202 PHE CB C 13 35.828 0.25 . 1 . . . . 202 PHE CB . 25290 1 243 . 1 1 202 202 PHE N N 15 115.477 0.3 . 1 . . . . 202 PHE N . 25290 1 244 . 1 1 203 203 CYS CA C 13 62.328 0.25 . 1 . . . . 203 CYS CA . 25290 1 245 . 1 1 203 203 CYS CB C 13 28.639 0.25 . 1 . . . . 203 CYS CB . 25290 1 246 . 1 1 203 203 CYS N N 15 117.918 0.3 . 1 . . . . 203 CYS N . 25290 1 247 . 1 1 212 212 GLY C C 13 173.54 0.25 . 1 . . . . 212 GLY CO . 25290 1 248 . 1 1 213 213 PHE CA C 13 62.437 0.25 . 1 . . . . 213 PHE CA . 25290 1 249 . 1 1 213 213 PHE N N 15 119.833 0.3 . 1 . . . . 213 PHE N . 25290 1 stop_ save_