data_15955 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15955 _Entry.Title ; Green Proteorhodopsin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-17 _Entry.Accession_date 2008-09-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _Entry.Details 'Solid-state NMR sequence specific assignment of proteorhodopsin' _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 Lichi Shi . . . 15955 2 Evelyn Lake . . . 15955 3 Mumdooh Ahmed . . . 15955 4 Wurong Zhang . . . 15955 5 Gregg Whited . . . 15955 6 Leonid Brown . . . 15955 7 Vladimir Ladizhansky . . . 15955 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' . 15955 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15955 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 589 15955 '15N chemical shifts' 151 15955 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 4 . . 2010-01-25 2008-09-17 update author 'complete entry citation' 15955 3 . . 2009-09-04 2008-09-17 update author 'update chemical shifts' 15955 2 . . 2009-03-03 2008-09-17 update BMRB 'update entry citation' 15955 1 . . 2009-01-28 2008-09-17 original author 'original release' 15955 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15955 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19799854 _Citation.Full_citation . _Citation.Title 'Solid-state NMR study of proteorhodopsin in the lipid environment: secondary structure and dynamics.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1788 _Citation.Journal_issue 12 _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 2563 _Citation.Page_last 2574 _Citation.Year 2009 _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 Lichi Shi . . . 15955 1 2 Evelyn Lake . M.R. . 15955 1 3 Mumdooh Ahmed . A.M. . 15955 1 4 Leonid Brown . S. . 15955 1 5 Vladimir Ladizhansky . . . 15955 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Solid-state NMR' 15955 1 'Magic Angle Spinning' 15955 1 'Three Dimensional' 15955 1 'Membrane Protein' 15955 1 'Seven Helix' 15955 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 15955 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19244620 _Citation.Full_citation . _Citation.Title 'Three-Dimensional Solid-State NMR Study of a Seven-Helical Integral Membrane Proton Pump - Structural Insights' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 386 _Citation.Journal_issue 4 _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 1078 _Citation.Page_last 1093 _Citation.Year 2009 _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 Lichi Shi . . . 15955 2 2 Mumdooh Ahmed . A. . 15955 2 3 Wurong Zhang . . . 15955 2 4 Gregg Whited . . . 15955 2 5 Leonid Brown . S. . 15955 2 6 Vladimir Ladizhansky . . . 15955 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Solid-state NMR' 15955 2 'Magic Angle Spinning' 15955 2 'Three Dimensional' 15955 2 'Membrane Protein' 15955 2 'Seven Helix' 15955 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15955 _Assembly.ID 1 _Assembly.Name PR _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 29500 _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 PR 1 $GPR A . yes native no no . 'protein matrix' . 15955 1 2 RE 2 $entity_RET B . no native no no . 'binding ligand' . 15955 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'proton pump' 15955 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GPR _Entity.Sf_category entity _Entity.Sf_framecode GPR _Entity.Entry_ID 15955 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GPR _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 ; MKLLLILGSVIALPTFAAGG GDLDASDYTGVSFWLVTAAL LASTVFFFVERDRVSAKWKT SLTVSGLVTGIAFWHYMYMR GVWIETGDSPTVFRYIDWLL TVPLLICEFYLILAAATNVA GSLFKKLLVGSLVMLVFGYM GEAGIMAAWPAFIIGCLAWV YMIYELWAGEGKSACNTASP AVQSAYNTMMYIIIFGWAIY PVGYFTGYLMGDGGSALNLN LIYNLADFVNKILFGLIIWN VAVKESSNAHHHHHH ; _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 255 _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 29500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 17327 . proteorhodopsin . . . . . 94.90 243 97.52 97.52 1.13e-165 . . . . 15955 1 2 no BMRB 17817 . GPR . . . . . 100.00 255 100.00 100.00 0.00e+00 . . . . 15955 1 3 no PDB 2L6X . "Solution Nmr Structure Of Proteorhodopsin" . . . . . 94.90 243 97.93 97.93 7.26e-167 . . . . 15955 1 4 no GB AAG10475 . "proteorhodopsin [uncultured marine gamma proteobacterium EBAC31A08]" . . . . . 97.65 249 100.00 100.00 2.53e-175 . . . . 15955 1 5 no GB AAK30175 . "proteorhodopsin, partial [uncultured bacterium]" . . . . . 97.65 252 97.59 99.20 1.01e-171 . . . . 15955 1 6 no GB AAK30176 . "proteorhodopsin, partial [uncultured bacterium]" . . . . . 97.25 251 97.58 98.39 5.70e-170 . . . . 15955 1 7 no GB AAK30181 . "proteorhodopsin, partial [uncultured bacterium]" . . . . . 97.25 251 97.18 98.39 2.72e-169 . . . . 15955 1 8 no GB AAK30183 . "proteorhodopsin, partial [uncultured bacterium]" . . . . . 97.25 251 97.58 98.39 5.70e-170 . . . . 15955 1 9 no SP Q9F7P4 . "RecName: Full=Green-light absorbing proteorhodopsin; Short=GPR; Flags: Precursor" . . . . . 97.65 249 100.00 100.00 2.53e-175 . . . . 15955 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'proton pump' 15955 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 . MET . 15955 1 2 . LYS . 15955 1 3 . LEU . 15955 1 4 . LEU . 15955 1 5 . LEU . 15955 1 6 . ILE . 15955 1 7 . LEU . 15955 1 8 . GLY . 15955 1 9 . SER . 15955 1 10 . VAL . 15955 1 11 . ILE . 15955 1 12 . ALA . 15955 1 13 . LEU . 15955 1 14 . PRO . 15955 1 15 . THR . 15955 1 16 . PHE . 15955 1 17 . ALA . 15955 1 18 . ALA . 15955 1 19 . GLY . 15955 1 20 . GLY . 15955 1 21 . GLY . 15955 1 22 . ASP . 15955 1 23 . LEU . 15955 1 24 . ASP . 15955 1 25 . ALA . 15955 1 26 . SER . 15955 1 27 . ASP . 15955 1 28 . TYR . 15955 1 29 . THR . 15955 1 30 . GLY . 15955 1 31 . VAL . 15955 1 32 . SER . 15955 1 33 . PHE . 15955 1 34 . TRP . 15955 1 35 . LEU . 15955 1 36 . VAL . 15955 1 37 . THR . 15955 1 38 . ALA . 15955 1 39 . ALA . 15955 1 40 . LEU . 15955 1 41 . LEU . 15955 1 42 . ALA . 15955 1 43 . SER . 15955 1 44 . THR . 15955 1 45 . VAL . 15955 1 46 . PHE . 15955 1 47 . PHE . 15955 1 48 . PHE . 15955 1 49 . VAL . 15955 1 50 . GLU . 15955 1 51 . ARG . 15955 1 52 . ASP . 15955 1 53 . ARG . 15955 1 54 . VAL . 15955 1 55 . SER . 15955 1 56 . ALA . 15955 1 57 . LYS . 15955 1 58 . TRP . 15955 1 59 . LYS . 15955 1 60 . THR . 15955 1 61 . SER . 15955 1 62 . LEU . 15955 1 63 . THR . 15955 1 64 . VAL . 15955 1 65 . SER . 15955 1 66 . GLY . 15955 1 67 . LEU . 15955 1 68 . VAL . 15955 1 69 . THR . 15955 1 70 . GLY . 15955 1 71 . ILE . 15955 1 72 . ALA . 15955 1 73 . PHE . 15955 1 74 . TRP . 15955 1 75 . HIS . 15955 1 76 . TYR . 15955 1 77 . MET . 15955 1 78 . TYR . 15955 1 79 . MET . 15955 1 80 . ARG . 15955 1 81 . GLY . 15955 1 82 . VAL . 15955 1 83 . TRP . 15955 1 84 . ILE . 15955 1 85 . GLU . 15955 1 86 . THR . 15955 1 87 . GLY . 15955 1 88 . ASP . 15955 1 89 . SER . 15955 1 90 . PRO . 15955 1 91 . THR . 15955 1 92 . VAL . 15955 1 93 . PHE . 15955 1 94 . ARG . 15955 1 95 . TYR . 15955 1 96 . ILE . 15955 1 97 . ASP . 15955 1 98 . TRP . 15955 1 99 . LEU . 15955 1 100 . LEU . 15955 1 101 . THR . 15955 1 102 . VAL . 15955 1 103 . PRO . 15955 1 104 . LEU . 15955 1 105 . LEU . 15955 1 106 . ILE . 15955 1 107 . CYS . 15955 1 108 . GLU . 15955 1 109 . PHE . 15955 1 110 . TYR . 15955 1 111 . LEU . 15955 1 112 . ILE . 15955 1 113 . LEU . 15955 1 114 . ALA . 15955 1 115 . ALA . 15955 1 116 . ALA . 15955 1 117 . THR . 15955 1 118 . ASN . 15955 1 119 . VAL . 15955 1 120 . ALA . 15955 1 121 . GLY . 15955 1 122 . SER . 15955 1 123 . LEU . 15955 1 124 . PHE . 15955 1 125 . LYS . 15955 1 126 . LYS . 15955 1 127 . LEU . 15955 1 128 . LEU . 15955 1 129 . VAL . 15955 1 130 . GLY . 15955 1 131 . SER . 15955 1 132 . LEU . 15955 1 133 . VAL . 15955 1 134 . MET . 15955 1 135 . LEU . 15955 1 136 . VAL . 15955 1 137 . PHE . 15955 1 138 . GLY . 15955 1 139 . TYR . 15955 1 140 . MET . 15955 1 141 . GLY . 15955 1 142 . GLU . 15955 1 143 . ALA . 15955 1 144 . GLY . 15955 1 145 . ILE . 15955 1 146 . MET . 15955 1 147 . ALA . 15955 1 148 . ALA . 15955 1 149 . TRP . 15955 1 150 . PRO . 15955 1 151 . ALA . 15955 1 152 . PHE . 15955 1 153 . ILE . 15955 1 154 . ILE . 15955 1 155 . GLY . 15955 1 156 . CYS . 15955 1 157 . LEU . 15955 1 158 . ALA . 15955 1 159 . TRP . 15955 1 160 . VAL . 15955 1 161 . TYR . 15955 1 162 . MET . 15955 1 163 . ILE . 15955 1 164 . TYR . 15955 1 165 . GLU . 15955 1 166 . LEU . 15955 1 167 . TRP . 15955 1 168 . ALA . 15955 1 169 . GLY . 15955 1 170 . GLU . 15955 1 171 . GLY . 15955 1 172 . LYS . 15955 1 173 . SER . 15955 1 174 . ALA . 15955 1 175 . CYS . 15955 1 176 . ASN . 15955 1 177 . THR . 15955 1 178 . ALA . 15955 1 179 . SER . 15955 1 180 . PRO . 15955 1 181 . ALA . 15955 1 182 . VAL . 15955 1 183 . GLN . 15955 1 184 . SER . 15955 1 185 . ALA . 15955 1 186 . TYR . 15955 1 187 . ASN . 15955 1 188 . THR . 15955 1 189 . MET . 15955 1 190 . MET . 15955 1 191 . TYR . 15955 1 192 . ILE . 15955 1 193 . ILE . 15955 1 194 . ILE . 15955 1 195 . PHE . 15955 1 196 . GLY . 15955 1 197 . TRP . 15955 1 198 . ALA . 15955 1 199 . ILE . 15955 1 200 . TYR . 15955 1 201 . PRO . 15955 1 202 . VAL . 15955 1 203 . GLY . 15955 1 204 . TYR . 15955 1 205 . PHE . 15955 1 206 . THR . 15955 1 207 . GLY . 15955 1 208 . TYR . 15955 1 209 . LEU . 15955 1 210 . MET . 15955 1 211 . GLY . 15955 1 212 . ASP . 15955 1 213 . GLY . 15955 1 214 . GLY . 15955 1 215 . SER . 15955 1 216 . ALA . 15955 1 217 . LEU . 15955 1 218 . ASN . 15955 1 219 . LEU . 15955 1 220 . ASN . 15955 1 221 . LEU . 15955 1 222 . ILE . 15955 1 223 . TYR . 15955 1 224 . ASN . 15955 1 225 . LEU . 15955 1 226 . ALA . 15955 1 227 . ASP . 15955 1 228 . PHE . 15955 1 229 . VAL . 15955 1 230 . ASN . 15955 1 231 . LYS . 15955 1 232 . ILE . 15955 1 233 . LEU . 15955 1 234 . PHE . 15955 1 235 . GLY . 15955 1 236 . LEU . 15955 1 237 . ILE . 15955 1 238 . ILE . 15955 1 239 . TRP . 15955 1 240 . ASN . 15955 1 241 . VAL . 15955 1 242 . ALA . 15955 1 243 . VAL . 15955 1 244 . LYS . 15955 1 245 . GLU . 15955 1 246 . SER . 15955 1 247 . SER . 15955 1 248 . ASN . 15955 1 249 . ALA . 15955 1 250 . HIS . 15955 1 251 . HIS . 15955 1 252 . HIS . 15955 1 253 . HIS . 15955 1 254 . HIS . 15955 1 255 . HIS . 15955 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 15955 1 . LYS 2 2 15955 1 . LEU 3 3 15955 1 . LEU 4 4 15955 1 . LEU 5 5 15955 1 . ILE 6 6 15955 1 . LEU 7 7 15955 1 . GLY 8 8 15955 1 . SER 9 9 15955 1 . VAL 10 10 15955 1 . ILE 11 11 15955 1 . ALA 12 12 15955 1 . LEU 13 13 15955 1 . PRO 14 14 15955 1 . THR 15 15 15955 1 . PHE 16 16 15955 1 . ALA 17 17 15955 1 . ALA 18 18 15955 1 . GLY 19 19 15955 1 . GLY 20 20 15955 1 . GLY 21 21 15955 1 . ASP 22 22 15955 1 . LEU 23 23 15955 1 . ASP 24 24 15955 1 . ALA 25 25 15955 1 . SER 26 26 15955 1 . ASP 27 27 15955 1 . TYR 28 28 15955 1 . THR 29 29 15955 1 . GLY 30 30 15955 1 . VAL 31 31 15955 1 . SER 32 32 15955 1 . PHE 33 33 15955 1 . TRP 34 34 15955 1 . LEU 35 35 15955 1 . VAL 36 36 15955 1 . THR 37 37 15955 1 . ALA 38 38 15955 1 . ALA 39 39 15955 1 . LEU 40 40 15955 1 . LEU 41 41 15955 1 . ALA 42 42 15955 1 . SER 43 43 15955 1 . THR 44 44 15955 1 . VAL 45 45 15955 1 . PHE 46 46 15955 1 . PHE 47 47 15955 1 . PHE 48 48 15955 1 . VAL 49 49 15955 1 . GLU 50 50 15955 1 . ARG 51 51 15955 1 . ASP 52 52 15955 1 . ARG 53 53 15955 1 . VAL 54 54 15955 1 . SER 55 55 15955 1 . ALA 56 56 15955 1 . LYS 57 57 15955 1 . TRP 58 58 15955 1 . LYS 59 59 15955 1 . THR 60 60 15955 1 . SER 61 61 15955 1 . LEU 62 62 15955 1 . THR 63 63 15955 1 . VAL 64 64 15955 1 . SER 65 65 15955 1 . GLY 66 66 15955 1 . LEU 67 67 15955 1 . VAL 68 68 15955 1 . THR 69 69 15955 1 . GLY 70 70 15955 1 . ILE 71 71 15955 1 . ALA 72 72 15955 1 . PHE 73 73 15955 1 . TRP 74 74 15955 1 . HIS 75 75 15955 1 . TYR 76 76 15955 1 . MET 77 77 15955 1 . TYR 78 78 15955 1 . MET 79 79 15955 1 . ARG 80 80 15955 1 . GLY 81 81 15955 1 . VAL 82 82 15955 1 . TRP 83 83 15955 1 . ILE 84 84 15955 1 . GLU 85 85 15955 1 . THR 86 86 15955 1 . GLY 87 87 15955 1 . ASP 88 88 15955 1 . SER 89 89 15955 1 . PRO 90 90 15955 1 . THR 91 91 15955 1 . VAL 92 92 15955 1 . PHE 93 93 15955 1 . ARG 94 94 15955 1 . TYR 95 95 15955 1 . ILE 96 96 15955 1 . ASP 97 97 15955 1 . TRP 98 98 15955 1 . LEU 99 99 15955 1 . LEU 100 100 15955 1 . THR 101 101 15955 1 . VAL 102 102 15955 1 . PRO 103 103 15955 1 . LEU 104 104 15955 1 . LEU 105 105 15955 1 . ILE 106 106 15955 1 . CYS 107 107 15955 1 . GLU 108 108 15955 1 . PHE 109 109 15955 1 . TYR 110 110 15955 1 . LEU 111 111 15955 1 . ILE 112 112 15955 1 . LEU 113 113 15955 1 . ALA 114 114 15955 1 . ALA 115 115 15955 1 . ALA 116 116 15955 1 . THR 117 117 15955 1 . ASN 118 118 15955 1 . VAL 119 119 15955 1 . ALA 120 120 15955 1 . GLY 121 121 15955 1 . SER 122 122 15955 1 . LEU 123 123 15955 1 . PHE 124 124 15955 1 . LYS 125 125 15955 1 . LYS 126 126 15955 1 . LEU 127 127 15955 1 . LEU 128 128 15955 1 . VAL 129 129 15955 1 . GLY 130 130 15955 1 . SER 131 131 15955 1 . LEU 132 132 15955 1 . VAL 133 133 15955 1 . MET 134 134 15955 1 . LEU 135 135 15955 1 . VAL 136 136 15955 1 . PHE 137 137 15955 1 . GLY 138 138 15955 1 . TYR 139 139 15955 1 . MET 140 140 15955 1 . GLY 141 141 15955 1 . GLU 142 142 15955 1 . ALA 143 143 15955 1 . GLY 144 144 15955 1 . ILE 145 145 15955 1 . MET 146 146 15955 1 . ALA 147 147 15955 1 . ALA 148 148 15955 1 . TRP 149 149 15955 1 . PRO 150 150 15955 1 . ALA 151 151 15955 1 . PHE 152 152 15955 1 . ILE 153 153 15955 1 . ILE 154 154 15955 1 . GLY 155 155 15955 1 . CYS 156 156 15955 1 . LEU 157 157 15955 1 . ALA 158 158 15955 1 . TRP 159 159 15955 1 . VAL 160 160 15955 1 . TYR 161 161 15955 1 . MET 162 162 15955 1 . ILE 163 163 15955 1 . TYR 164 164 15955 1 . GLU 165 165 15955 1 . LEU 166 166 15955 1 . TRP 167 167 15955 1 . ALA 168 168 15955 1 . GLY 169 169 15955 1 . GLU 170 170 15955 1 . GLY 171 171 15955 1 . LYS 172 172 15955 1 . SER 173 173 15955 1 . ALA 174 174 15955 1 . CYS 175 175 15955 1 . ASN 176 176 15955 1 . THR 177 177 15955 1 . ALA 178 178 15955 1 . SER 179 179 15955 1 . PRO 180 180 15955 1 . ALA 181 181 15955 1 . VAL 182 182 15955 1 . GLN 183 183 15955 1 . SER 184 184 15955 1 . ALA 185 185 15955 1 . TYR 186 186 15955 1 . ASN 187 187 15955 1 . THR 188 188 15955 1 . MET 189 189 15955 1 . MET 190 190 15955 1 . TYR 191 191 15955 1 . ILE 192 192 15955 1 . ILE 193 193 15955 1 . ILE 194 194 15955 1 . PHE 195 195 15955 1 . GLY 196 196 15955 1 . TRP 197 197 15955 1 . ALA 198 198 15955 1 . ILE 199 199 15955 1 . TYR 200 200 15955 1 . PRO 201 201 15955 1 . VAL 202 202 15955 1 . GLY 203 203 15955 1 . TYR 204 204 15955 1 . PHE 205 205 15955 1 . THR 206 206 15955 1 . GLY 207 207 15955 1 . TYR 208 208 15955 1 . LEU 209 209 15955 1 . MET 210 210 15955 1 . GLY 211 211 15955 1 . ASP 212 212 15955 1 . GLY 213 213 15955 1 . GLY 214 214 15955 1 . SER 215 215 15955 1 . ALA 216 216 15955 1 . LEU 217 217 15955 1 . ASN 218 218 15955 1 . LEU 219 219 15955 1 . ASN 220 220 15955 1 . LEU 221 221 15955 1 . ILE 222 222 15955 1 . TYR 223 223 15955 1 . ASN 224 224 15955 1 . LEU 225 225 15955 1 . ALA 226 226 15955 1 . ASP 227 227 15955 1 . PHE 228 228 15955 1 . VAL 229 229 15955 1 . ASN 230 230 15955 1 . LYS 231 231 15955 1 . ILE 232 232 15955 1 . LEU 233 233 15955 1 . PHE 234 234 15955 1 . GLY 235 235 15955 1 . LEU 236 236 15955 1 . ILE 237 237 15955 1 . ILE 238 238 15955 1 . TRP 239 239 15955 1 . ASN 240 240 15955 1 . VAL 241 241 15955 1 . ALA 242 242 15955 1 . VAL 243 243 15955 1 . LYS 244 244 15955 1 . GLU 245 245 15955 1 . SER 246 246 15955 1 . SER 247 247 15955 1 . ASN 248 248 15955 1 . ALA 249 249 15955 1 . HIS 250 250 15955 1 . HIS 251 251 15955 1 . HIS 252 252 15955 1 . HIS 253 253 15955 1 . HIS 254 254 15955 1 . HIS 255 255 15955 1 stop_ save_ save_entity_RET _Entity.Sf_category entity _Entity.Sf_framecode entity_RET _Entity.Entry_ID 15955 _Entity.ID 2 _Entity.BMRB_code RET _Entity.Name RETINAL _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID RET _Entity.Nonpolymer_comp_label $chem_comp_RET _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 284.436 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RETINAL BMRB 15955 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID RETINAL BMRB 15955 2 RET 'Three letter code' 15955 2 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 RET $chem_comp_RET 15955 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 RET C1 15955 2 2 1 RET C10 15955 2 3 1 RET C11 15955 2 4 1 RET C12 15955 2 5 1 RET C13 15955 2 6 1 RET C14 15955 2 7 1 RET C15 15955 2 8 1 RET C16 15955 2 9 1 RET C17 15955 2 10 1 RET C18 15955 2 11 1 RET C19 15955 2 12 1 RET C2 15955 2 13 1 RET C20 15955 2 14 1 RET C3 15955 2 15 1 RET C4 15955 2 16 1 RET C5 15955 2 17 1 RET C6 15955 2 18 1 RET C7 15955 2 19 1 RET C8 15955 2 20 1 RET C9 15955 2 21 1 RET H10 15955 2 22 1 RET H11 15955 2 23 1 RET H12 15955 2 24 1 RET H14 15955 2 25 1 RET H15 15955 2 26 1 RET H161 15955 2 27 1 RET H162 15955 2 28 1 RET H163 15955 2 29 1 RET H171 15955 2 30 1 RET H172 15955 2 31 1 RET H173 15955 2 32 1 RET H181 15955 2 33 1 RET H182 15955 2 34 1 RET H183 15955 2 35 1 RET H191 15955 2 36 1 RET H192 15955 2 37 1 RET H193 15955 2 38 1 RET H201 15955 2 39 1 RET H202 15955 2 40 1 RET H203 15955 2 41 1 RET H21 15955 2 42 1 RET H22 15955 2 43 1 RET H31 15955 2 44 1 RET H32 15955 2 45 1 RET H41 15955 2 46 1 RET H42 15955 2 47 1 RET H7 15955 2 48 1 RET H8 15955 2 49 1 RET O1 15955 2 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 15955 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $GPR . 1236 organism . 'gamma proteobacterium' 'gamma proteobacterium' . . eubacteria . . 'gamma proteobacterium' . . . . . . . . . . . . . . . . . . . . . 15955 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 15955 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $GPR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . NA . . . . . . 15955 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_RET _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_RET _Chem_comp.Entry_ID 15955 _Chem_comp.ID RET _Chem_comp.Provenance PDB _Chem_comp.Name RETINAL _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code RET _Chem_comp.PDB_code RET _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code RET _Chem_comp.Number_atoms_all 49 _Chem_comp.Number_atoms_nh 21 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C20 H28 O' _Chem_comp.Formula_weight 284.436 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1OPB _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 15955 RET CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C SMILES 'OpenEye OEToolkits' 1.7.0 15955 RET CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C SMILES_CANONICAL CACTVS 3.370 15955 RET CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C SMILES CACTVS 3.370 15955 RET InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ InChI InChI 1.03 15955 RET NCYCYZXNIZJOKI-OVSJKPMPSA-N InChIKey InChI 1.03 15955 RET O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C SMILES ACDLabs 12.01 15955 RET stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 15955 RET retinal 'SYSTEMATIC NAME' ACDLabs 12.01 15955 RET stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . -5.590 . 13.158 . 53.080 . -4.327 0.909 -0.480 1 . 15955 RET C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . -7.569 . 17.648 . 50.602 . 1.446 -0.283 -0.220 10 . 15955 RET C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . -8.141 . 18.699 . 49.798 . 2.720 0.176 0.138 11 . 15955 RET C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . -9.328 . 19.245 . 50.048 . 3.842 -0.427 -0.387 12 . 15955 RET C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . -10.012 . 20.306 . 49.302 . 5.115 0.031 -0.030 13 . 15955 RET C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . -11.232 . 20.649 . 49.763 . 6.238 -0.573 -0.555 14 . 15955 RET C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . -12.134 . 21.659 . 49.229 . 7.510 -0.115 -0.198 15 . 15955 RET C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . -6.839 . 12.703 . 52.333 . -3.620 1.768 -1.531 17 . 15955 RET C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . -6.072 . 13.878 . 54.344 . -4.899 1.816 0.611 18 . 15955 RET C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . -2.187 . 14.357 . 51.431 . -2.522 -2.155 1.006 19 . 15955 RET C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . -5.585 . 17.081 . 49.160 . 0.478 1.469 1.259 20 . 15955 RET C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -4.929 . 11.803 . 53.442 . -5.466 0.132 -1.143 2 . 15955 RET C20 C20 C20 C20 . C . . N 0 . . . 1 no no . . . . -9.562 . 20.581 . 47.903 . 5.259 1.185 0.929 21 . 15955 RET C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . -3.621 . 11.861 . 53.982 . -5.998 -0.901 -0.142 3 . 15955 RET C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . -2.648 . 12.661 . 53.187 . -4.921 -1.966 0.075 4 . 15955 RET C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . -3.256 . 13.719 . 52.298 . -3.604 -1.314 0.380 5 . 15955 RET C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . -4.574 . 14.002 . 52.251 . -3.340 -0.042 0.131 6 . 15955 RET C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . -5.044 . 15.082 . 51.321 . -2.051 0.450 0.458 7 . 15955 RET C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . -6.101 . 15.895 . 51.358 . -0.944 -0.145 -0.059 8 . 15955 RET C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . -6.459 . 16.916 . 50.367 . 0.334 0.315 0.300 9 . 15955 RET H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . -8.099 . 17.415 . 51.514 . 1.343 -1.109 -0.908 30 . 15955 RET H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . -7.578 . 19.061 . 48.951 . 2.823 1.003 0.825 31 . 15955 RET H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . -9.854 . 18.858 . 50.908 . 3.740 -1.254 -1.074 32 . 15955 RET H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . -11.581 . 20.110 . 50.632 . 6.135 -1.400 -1.242 33 . 15955 RET H15 H15 H15 H15 . H . . N 0 . . . 1 no no . . . . -11.846 . 22.697 . 49.305 . 7.613 0.712 0.489 34 . 15955 RET H161 H161 H161 H161 . H . . N 0 . . . 0 no no . . . . -7.415 . 13.583 . 52.011 . -4.351 2.401 -2.035 35 . 15955 RET H162 H162 H162 H162 . H . . N 0 . . . 0 no no . . . . -6.545 . 12.115 . 51.451 . -2.872 2.394 -1.045 36 . 15955 RET H163 H163 H163 H163 . H . . N 0 . . . 0 no no . . . . -7.458 . 12.083 . 52.998 . -3.134 1.122 -2.262 37 . 15955 RET H171 H171 H171 H171 . H . . N 0 . . . 0 no no . . . . -6.537 . 14.835 . 54.066 . -5.409 1.209 1.359 38 . 15955 RET H172 H172 H172 H172 . H . . N 0 . . . 0 no no . . . . -6.809 . 13.250 . 54.865 . -4.089 2.371 1.084 39 . 15955 RET H173 H173 H173 H173 . H . . N 0 . . . 0 no no . . . . -5.215 . 14.066 . 55.008 . -5.608 2.516 0.167 40 . 15955 RET H181 H181 H181 H181 . H . . N 0 . . . 0 no no . . . . -2.644 . 15.125 . 50.790 . -2.917 -3.145 1.234 41 . 15955 RET H182 H182 H182 H182 . H . . N 0 . . . 0 no no . . . . -1.424 . 14.822 . 52.073 . -1.686 -2.248 0.312 42 . 15955 RET H183 H183 H183 H183 . H . . N 0 . . . 0 no no . . . . -1.717 . 13.586 . 50.802 . -2.179 -1.681 1.926 43 . 15955 RET H191 H191 H191 H191 . H . . N 0 . . . 0 no no . . . . -5.988 . 17.881 . 48.521 . 0.528 1.089 2.279 44 . 15955 RET H192 H192 H192 H192 . H . . N 0 . . . 0 no no . . . . -4.566 . 17.345 . 49.479 . 1.391 2.019 1.031 45 . 15955 RET H193 H193 H193 H193 . H . . N 0 . . . 0 no no . . . . -5.560 . 16.138 . 48.594 . -0.381 2.133 1.160 46 . 15955 RET H201 H201 H201 H201 . H . . N 0 . . . 0 no no . . . . -10.165 . 21.397 . 47.477 . 5.309 0.805 1.950 47 . 15955 RET H202 H202 H202 H202 . H . . N 0 . . . 0 no no . . . . -8.502 . 20.874 . 47.910 . 6.172 1.735 0.701 48 . 15955 RET H203 H203 H203 H203 . H . . N 0 . . . 0 no no . . . . -9.688 . 19.675 . 47.293 . 4.400 1.849 0.830 49 . 15955 RET H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . -5.570 . 11.320 . 54.194 . -6.266 0.819 -1.419 22 . 15955 RET H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . -4.872 . 11.212 . 52.516 . -5.093 -0.377 -2.032 23 . 15955 RET H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . -3.692 . 12.317 . 54.981 . -6.225 -0.411 0.804 24 . 15955 RET H32 H32 H32 H32 . H . . N 0 . . . 1 no no . . . . -3.238 . 10.832 . 54.041 . -6.898 -1.368 -0.542 25 . 15955 RET H41 H41 H41 H41 . H . . N 0 . . . 1 no no . . . . -1.977 . 13.168 . 53.896 . -5.209 -2.606 0.910 26 . 15955 RET H42 H42 H42 H42 . H . . N 0 . . . 1 no no . . . . -2.094 . 11.964 . 52.542 . -4.824 -2.572 -0.825 27 . 15955 RET H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . -4.407 . 15.228 . 50.461 . -1.949 1.298 1.119 28 . 15955 RET H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -6.762 . 15.791 . 52.206 . -1.047 -0.972 -0.747 29 . 15955 RET O1 O1 O1 O1 . O . . N 0 . . . 1 no yes . . . . -13.374 . 21.346 . 48.614 . 8.500 -0.648 -0.661 16 . 15955 RET stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 15955 RET 2 . SING C1 C6 no N 2 . 15955 RET 3 . SING C1 C16 no N 3 . 15955 RET 4 . SING C1 C17 no N 4 . 15955 RET 5 . SING C2 C3 no N 5 . 15955 RET 6 . SING C2 H21 no N 6 . 15955 RET 7 . SING C2 H22 no N 7 . 15955 RET 8 . SING C3 C4 no N 8 . 15955 RET 9 . SING C3 H31 no N 9 . 15955 RET 10 . SING C3 H32 no N 10 . 15955 RET 11 . SING C4 C5 no N 11 . 15955 RET 12 . SING C4 H41 no N 12 . 15955 RET 13 . SING C4 H42 no N 13 . 15955 RET 14 . DOUB C5 C6 no N 14 . 15955 RET 15 . SING C5 C18 no N 15 . 15955 RET 16 . SING C6 C7 no N 16 . 15955 RET 17 . DOUB C7 C8 no E 17 . 15955 RET 18 . SING C7 H7 no N 18 . 15955 RET 19 . SING C8 C9 no N 19 . 15955 RET 20 . SING C8 H8 no N 20 . 15955 RET 21 . DOUB C9 C10 no E 21 . 15955 RET 22 . SING C9 C19 no N 22 . 15955 RET 23 . SING C10 C11 no N 23 . 15955 RET 24 . SING C10 H10 no N 24 . 15955 RET 25 . DOUB C11 C12 no E 25 . 15955 RET 26 . SING C11 H11 no N 26 . 15955 RET 27 . SING C12 C13 no N 27 . 15955 RET 28 . SING C12 H12 no N 28 . 15955 RET 29 . DOUB C13 C14 no E 29 . 15955 RET 30 . SING C13 C20 no N 30 . 15955 RET 31 . SING C14 C15 no N 31 . 15955 RET 32 . SING C14 H14 no N 32 . 15955 RET 33 . DOUB C15 O1 no N 33 . 15955 RET 34 . SING C15 H15 no N 34 . 15955 RET 35 . SING C16 H161 no N 35 . 15955 RET 36 . SING C16 H162 no N 36 . 15955 RET 37 . SING C16 H163 no N 37 . 15955 RET 38 . SING C17 H171 no N 38 . 15955 RET 39 . SING C17 H172 no N 39 . 15955 RET 40 . SING C17 H173 no N 40 . 15955 RET 41 . SING C18 H181 no N 41 . 15955 RET 42 . SING C18 H182 no N 42 . 15955 RET 43 . SING C18 H183 no N 43 . 15955 RET 44 . SING C19 H191 no N 44 . 15955 RET 45 . SING C19 H192 no N 45 . 15955 RET 46 . SING C19 H193 no N 46 . 15955 RET 47 . SING C20 H201 no N 47 . 15955 RET 48 . SING C20 H202 no N 48 . 15955 RET 49 . SING C20 H203 no N 49 . 15955 RET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15955 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details 'expressed on 4g/L 13C-glucose, 1g/L 15N-ammonium chloride and 1mM Natural abundant Phe, Leu, Tyr' _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 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15955 1 2 CHES 'natural abundance' . . . . . . 50 . . mM . . . . 15955 1 3 DMPC 'natural abundance' . . . . . . 4 . . mg . . . . 15955 1 4 DMPA 'natural abundance' . . . . . . 0.4 . . mg . . . . 15955 1 5 GPR '[U-13C; U-15N]' . . 1 $GPR . . 9 . . mg . . . . 15955 1 6 RET 'natural abundance' . . 2 $entity_RET . . 0.09 . . mg . . . . 15955 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15955 _Sample.ID 2 _Sample.Type solid _Sample.Sub_type . _Sample.Details 'expressed on 4g/L 13C-glucose, 1g/L 15N-ammonium chloride and 1mM Natural abundant Trp, His, Tyr, Phe, Arg, Ile' _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 CHES 'natural abundance' . . . . . . 50 . . mM . . . . 15955 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15955 2 3 DMPC 'natural abundance' . . . . . . 5.4 . . mg . . . . 15955 2 4 DMPA 'natural abundance' . . . . . . 0.6 . . mg . . . . 15955 2 5 GPR '[U-13C; U-15N]' . . 1 $GPR . . 12 . . mg . . . . 15955 2 6 RET 'natural abundance' . . 2 $entity_RET . . 0.1 . . mg . . . . 15955 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 15955 _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 temperature 278 . K 15955 1 pH 9 . pH 15955 1 pressure 1 . atm 15955 1 'ionic strength' 100 . mM 15955 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15955 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 15955 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15955 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15955 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15955 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15955 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15955 _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' . . 15955 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15955 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 15955 _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 15955 _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 . . . 15955 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 15955 _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 CC SPC53' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15955 1 2 '3D NCACX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15955 1 3 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15955 1 4 '3D CONCA' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15955 1 5 '3D CAN(CO)CA' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15955 1 6 '2D CC SPC53' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15955 1 7 '3D NCACX' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15955 1 8 '3D NCOCX' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15955 1 9 '3D CONCA' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15955 1 10 '3D CAN(CO)CA' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15955 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 15955 _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 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15955 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15955 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 15955 _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 2 '3D NCACX' . . . 15955 1 3 '3D NCOCX' . . . 15955 1 4 '3D CONCA' . . . 15955 1 5 '3D CAN(CO)CA' . . . 15955 1 7 '3D NCACX' . . . 15955 1 8 '3D NCOCX' . . . 15955 1 9 '3D CONCA' . . . 15955 1 10 '3D CAN(CO)CA' . . . 15955 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 29 29 THR C C 13 176.4 0.2 . 1 . . . . 29 THR C . 15955 1 2 . 1 1 29 29 THR CA C 13 64.7 0.2 . 1 . . . . 29 THR CA . 15955 1 3 . 1 1 29 29 THR CB C 13 69.6 0.2 . 1 . . . . 29 THR CB . 15955 1 4 . 1 1 29 29 THR CG2 C 13 22.2 0.2 . 1 . . . . 29 THR CG2 . 15955 1 5 . 1 1 29 29 THR N N 15 107.1 0.2 . 1 . . . . 29 THR N . 15955 1 6 . 1 1 30 30 GLY C C 13 174.6 0.2 . 1 . . . . 30 GLY C . 15955 1 7 . 1 1 30 30 GLY CA C 13 45.9 0.2 . 1 . . . . 30 GLY CA . 15955 1 8 . 1 1 30 30 GLY N N 15 109.1 0.2 . 1 . . . . 30 GLY N . 15955 1 9 . 1 1 37 37 THR C C 13 175.7 0.2 . 1 . . . . 37 THR C . 15955 1 10 . 1 1 37 37 THR CA C 13 69.2 0.2 . 1 . . . . 37 THR CA . 15955 1 11 . 1 1 37 37 THR CB C 13 68.5 0.2 . 1 . . . . 37 THR CB . 15955 1 12 . 1 1 37 37 THR CG2 C 13 22.9 0.2 . 1 . . . . 37 THR CG2 . 15955 1 13 . 1 1 37 37 THR N N 15 117.6 0.2 . 1 . . . . 37 THR N . 15955 1 14 . 1 1 38 38 ALA C C 13 178.4 0.2 . 1 . . . . 38 ALA C . 15955 1 15 . 1 1 38 38 ALA CA C 13 55.2 0.2 . 1 . . . . 38 ALA CA . 15955 1 16 . 1 1 38 38 ALA CB C 13 18.5 0.2 . 1 . . . . 38 ALA CB . 15955 1 17 . 1 1 38 38 ALA N N 15 120.9 0.2 . 1 . . . . 38 ALA N . 15955 1 18 . 1 1 39 39 ALA C C 13 180.5 0.2 . 1 . . . . 39 ALA C . 15955 1 19 . 1 1 39 39 ALA CA C 13 55.1 0.2 . 1 . . . . 39 ALA CA . 15955 1 20 . 1 1 39 39 ALA CB C 13 19.9 0.2 . 1 . . . . 39 ALA CB . 15955 1 21 . 1 1 39 39 ALA N N 15 118.7 0.2 . 1 . . . . 39 ALA N . 15955 1 22 . 1 1 40 40 LEU C C 13 180.0 0.2 . 1 . . . . 40 LEU C . 15955 1 23 . 1 1 40 40 LEU CA C 13 57.6 0.2 . 1 . . . . 40 LEU CA . 15955 1 24 . 1 1 40 40 LEU CB C 13 40.8 0.2 . 1 . . . . 40 LEU CB . 15955 1 25 . 1 1 40 40 LEU N N 15 120.2 0.2 . 1 . . . . 40 LEU N . 15955 1 26 . 1 1 41 41 LEU C C 13 176.8 0.2 . 1 . . . . 41 LEU C . 15955 1 27 . 1 1 41 41 LEU CA C 13 58.2 0.2 . 1 . . . . 41 LEU CA . 15955 1 28 . 1 1 41 41 LEU CB C 13 38.9 0.2 . 1 . . . . 41 LEU CB . 15955 1 29 . 1 1 41 41 LEU CG C 13 25.9 0.2 . 1 . . . . 41 LEU CG . 15955 1 30 . 1 1 42 42 ALA C C 13 178.9 0.2 . 1 . . . . 42 ALA C . 15955 1 31 . 1 1 42 42 ALA CA C 13 54.9 0.2 . 1 . . . . 42 ALA CA . 15955 1 32 . 1 1 42 42 ALA CB C 13 18.7 0.2 . 1 . . . . 42 ALA CB . 15955 1 33 . 1 1 42 42 ALA N N 15 117.8 0.2 . 1 . . . . 42 ALA N . 15955 1 34 . 1 1 43 43 SER C C 13 173.2 0.2 . 1 . . . . 43 SER C . 15955 1 35 . 1 1 43 43 SER CA C 13 62.4 0.2 . 1 . . . . 43 SER CA . 15955 1 36 . 1 1 43 43 SER CB C 13 62.1 0.2 . 1 . . . . 43 SER CB . 15955 1 37 . 1 1 43 43 SER N N 15 111.9 0.2 . 1 . . . . 43 SER N . 15955 1 38 . 1 1 44 44 THR C C 13 174.6 0.2 . 1 . . . . 44 THR C . 15955 1 39 . 1 1 44 44 THR CA C 13 67.7 0.2 . 1 . . . . 44 THR CA . 15955 1 40 . 1 1 44 44 THR CB C 13 68.9 0.2 . 1 . . . . 44 THR CB . 15955 1 41 . 1 1 44 44 THR CG2 C 13 20.9 0.2 . 1 . . . . 44 THR CG2 . 15955 1 42 . 1 1 44 44 THR N N 15 118.4 0.2 . 1 . . . . 44 THR N . 15955 1 43 . 1 1 45 45 VAL C C 13 176.2 0.2 . 1 . . . . 45 VAL C . 15955 1 44 . 1 1 45 45 VAL CA C 13 67.6 0.2 . 1 . . . . 45 VAL CA . 15955 1 45 . 1 1 45 45 VAL CB C 13 31.4 0.2 . 1 . . . . 45 VAL CB . 15955 1 46 . 1 1 45 45 VAL CG2 C 13 22.8 0.2 . 1 . . . . 45 VAL CG2 . 15955 1 47 . 1 1 45 45 VAL N N 15 117.8 0.2 . 1 . . . . 45 VAL N . 15955 1 48 . 1 1 46 46 PHE C C 13 177.6 0.2 . 1 . . . . 46 PHE C . 15955 1 49 . 1 1 46 46 PHE CA C 13 59.4 0.2 . 1 . . . . 46 PHE CA . 15955 1 50 . 1 1 46 46 PHE N N 15 118.0 0.2 . 1 . . . . 46 PHE N . 15955 1 51 . 1 1 47 47 PHE C C 13 179.1 0.2 . 1 . . . . 47 PHE C . 15955 1 52 . 1 1 47 47 PHE CA C 13 61.7 0.2 . 1 . . . . 47 PHE CA . 15955 1 53 . 1 1 47 47 PHE CB C 13 37.9 0.2 . 1 . . . . 47 PHE CB . 15955 1 54 . 1 1 47 47 PHE N N 15 116.4 0.2 . 1 . . . . 47 PHE N . 15955 1 55 . 1 1 63 63 THR C C 13 175.5 0.2 . 1 . . . . 63 THR C . 15955 1 56 . 1 1 63 63 THR CA C 13 62.7 0.2 . 1 . . . . 63 THR CA . 15955 1 57 . 1 1 63 63 THR CB C 13 67.1 0.2 . 1 . . . . 63 THR CB . 15955 1 58 . 1 1 63 63 THR CG2 C 13 22.3 0.2 . 1 . . . . 63 THR CG2 . 15955 1 59 . 1 1 64 64 VAL C C 13 178.6 0.2 . 1 . . . . 64 VAL C . 15955 1 60 . 1 1 64 64 VAL CA C 13 68.0 0.2 . 1 . . . . 64 VAL CA . 15955 1 61 . 1 1 64 64 VAL CB C 13 31.4 0.2 . 1 . . . . 64 VAL CB . 15955 1 62 . 1 1 64 64 VAL N N 15 122.9 0.2 . 1 . . . . 64 VAL N . 15955 1 63 . 1 1 65 65 SER C C 13 176.1 0.2 . 1 . . . . 65 SER C . 15955 1 64 . 1 1 65 65 SER CA C 13 63.3 0.2 . 1 . . . . 65 SER CA . 15955 1 65 . 1 1 65 65 SER CB C 13 62.4 0.2 . 1 . . . . 65 SER CB . 15955 1 66 . 1 1 65 65 SER N N 15 117.2 0.2 . 1 . . . . 65 SER N . 15955 1 67 . 1 1 66 66 GLY C C 13 175.9 0.2 . 1 . . . . 66 GLY C . 15955 1 68 . 1 1 66 66 GLY CA C 13 47.2 0.2 . 1 . . . . 66 GLY CA . 15955 1 69 . 1 1 66 66 GLY N N 15 105.7 0.2 . 1 . . . . 66 GLY N . 15955 1 70 . 1 1 68 68 VAL C C 13 178.0 0.2 . 1 . . . . 68 VAL C . 15955 1 71 . 1 1 68 68 VAL CA C 13 67.4 0.2 . 1 . . . . 68 VAL CA . 15955 1 72 . 1 1 68 68 VAL CB C 13 31.5 0.2 . 1 . . . . 68 VAL CB . 15955 1 73 . 1 1 68 68 VAL CG1 C 13 24.2 0.2 . 1 . . . . 68 VAL CG1 . 15955 1 74 . 1 1 68 68 VAL CG2 C 13 21.0 0.2 . 1 . . . . 68 VAL CG2 . 15955 1 75 . 1 1 68 68 VAL N N 15 118.7 0.2 . 1 . . . . 68 VAL N . 15955 1 76 . 1 1 69 69 THR C C 13 177.3 0.2 . 1 . . . . 69 THR C . 15955 1 77 . 1 1 69 69 THR CA C 13 65.4 0.2 . 1 . . . . 69 THR CA . 15955 1 78 . 1 1 69 69 THR CB C 13 67.2 0.2 . 1 . . . . 69 THR CB . 15955 1 79 . 1 1 69 69 THR CG2 C 13 23.0 0.2 . 1 . . . . 69 THR CG2 . 15955 1 80 . 1 1 69 69 THR N N 15 106.0 0.2 . 1 . . . . 69 THR N . 15955 1 81 . 1 1 70 70 GLY C C 13 175.6 0.2 . 1 . . . . 70 GLY C . 15955 1 82 . 1 1 70 70 GLY CA C 13 48.3 0.2 . 1 . . . . 70 GLY CA . 15955 1 83 . 1 1 70 70 GLY N N 15 115.6 0.2 . 1 . . . . 70 GLY N . 15955 1 84 . 1 1 71 71 ILE C C 13 177.6 0.2 . 1 . . . . 71 ILE C . 15955 1 85 . 1 1 71 71 ILE CA C 13 65.8 0.2 . 1 . . . . 71 ILE CA . 15955 1 86 . 1 1 71 71 ILE CB C 13 38.0 0.2 . 1 . . . . 71 ILE CB . 15955 1 87 . 1 1 71 71 ILE CD1 C 13 14.2 0.2 . 1 . . . . 71 ILE CD1 . 15955 1 88 . 1 1 71 71 ILE CG2 C 13 18.9 0.2 . 1 . . . . 71 ILE CG2 . 15955 1 89 . 1 1 71 71 ILE N N 15 124.2 0.2 . 1 . . . . 71 ILE N . 15955 1 90 . 1 1 72 72 ALA C C 13 179.1 0.2 . 1 . . . . 72 ALA C . 15955 1 91 . 1 1 72 72 ALA CA C 13 55.4 0.2 . 1 . . . . 72 ALA CA . 15955 1 92 . 1 1 72 72 ALA CB C 13 19.6 0.2 . 1 . . . . 72 ALA CB . 15955 1 93 . 1 1 72 72 ALA N N 15 120.3 0.2 . 1 . . . . 72 ALA N . 15955 1 94 . 1 1 73 73 PHE CA C 13 58.3 0.2 . 1 . . . . 73 PHE CA . 15955 1 95 . 1 1 73 73 PHE CB C 13 42.3 0.2 . 1 . . . . 73 PHE CB . 15955 1 96 . 1 1 73 73 PHE N N 15 120.1 0.2 . 1 . . . . 73 PHE N . 15955 1 97 . 1 1 81 81 GLY C C 13 176.0 0.2 . 1 . . . . 81 GLY C . 15955 1 98 . 1 1 81 81 GLY CA C 13 46.5 0.2 . 1 . . . . 81 GLY CA . 15955 1 99 . 1 1 81 81 GLY N N 15 106.6 0.2 . 1 . . . . 81 GLY N . 15955 1 100 . 1 1 82 82 VAL C C 13 180.3 0.2 . 1 . . . . 82 VAL C . 15955 1 101 . 1 1 82 82 VAL CA C 13 66.2 0.2 . 1 . . . . 82 VAL CA . 15955 1 102 . 1 1 82 82 VAL CB C 13 31.8 0.2 . 1 . . . . 82 VAL CB . 15955 1 103 . 1 1 82 82 VAL CG1 C 13 22.3 0.2 . 1 . . . . 82 VAL CG1 . 15955 1 104 . 1 1 82 82 VAL CG2 C 13 21.5 0.2 . 1 . . . . 82 VAL CG2 . 15955 1 105 . 1 1 82 82 VAL N N 15 124.0 0.2 . 1 . . . . 82 VAL N . 15955 1 106 . 1 1 85 85 GLU C C 13 178.5 0.2 . 1 . . . . 85 GLU C . 15955 1 107 . 1 1 85 85 GLU CA C 13 58.8 0.2 . 1 . . . . 85 GLU CA . 15955 1 108 . 1 1 85 85 GLU CB C 13 30.6 0.2 . 1 . . . . 85 GLU CB . 15955 1 109 . 1 1 85 85 GLU CD C 13 183.5 0.2 . 1 . . . . 85 GLU CD . 15955 1 110 . 1 1 85 85 GLU CG C 13 36.2 0.2 . 1 . . . . 85 GLU CG . 15955 1 111 . 1 1 86 86 THR C C 13 176.0 0.2 . 1 . . . . 86 THR C . 15955 1 112 . 1 1 86 86 THR CA C 13 62.1 0.2 . 1 . . . . 86 THR CA . 15955 1 113 . 1 1 86 86 THR CB C 13 72.3 0.2 . 1 . . . . 86 THR CB . 15955 1 114 . 1 1 86 86 THR CG2 C 13 21.1 0.2 . 1 . . . . 86 THR CG2 . 15955 1 115 . 1 1 86 86 THR N N 15 105.9 0.2 . 1 . . . . 86 THR N . 15955 1 116 . 1 1 87 87 GLY C C 13 171.0 0.2 . 1 . . . . 87 GLY C . 15955 1 117 . 1 1 87 87 GLY CA C 13 45.0 0.2 . 1 . . . . 87 GLY CA . 15955 1 118 . 1 1 87 87 GLY N N 15 112.8 0.2 . 1 . . . . 87 GLY N . 15955 1 119 . 1 1 88 88 ASP C C 13 174.8 0.2 . 1 . . . . 88 ASP C . 15955 1 120 . 1 1 88 88 ASP CA C 13 52.5 0.2 . 1 . . . . 88 ASP CA . 15955 1 121 . 1 1 88 88 ASP CB C 13 43.9 0.2 . 1 . . . . 88 ASP CB . 15955 1 122 . 1 1 88 88 ASP CG C 13 180.8 0.2 . 1 . . . . 88 ASP CG . 15955 1 123 . 1 1 88 88 ASP N N 15 116.9 0.2 . 1 . . . . 88 ASP N . 15955 1 124 . 1 1 89 89 SER C C 13 172.4 0.2 . 1 . . . . 89 SER C . 15955 1 125 . 1 1 89 89 SER CA C 13 56.9 0.2 . 1 . . . . 89 SER CA . 15955 1 126 . 1 1 89 89 SER CB C 13 65.2 0.2 . 1 . . . . 89 SER CB . 15955 1 127 . 1 1 89 89 SER N N 15 112.8 0.2 . 1 . . . . 89 SER N . 15955 1 128 . 1 1 90 90 PRO C C 13 179.8 0.2 . 1 . . . . 90 PRO C . 15955 1 129 . 1 1 90 90 PRO CA C 13 63.2 0.2 . 1 . . . . 90 PRO CA . 15955 1 130 . 1 1 90 90 PRO CB C 13 32.5 0.2 . 1 . . . . 90 PRO CB . 15955 1 131 . 1 1 91 91 THR C C 13 178.3 0.2 . 1 . . . . 91 THR C . 15955 1 132 . 1 1 91 91 THR CA C 13 66.2 0.2 . 1 . . . . 91 THR CA . 15955 1 133 . 1 1 91 91 THR CB C 13 67.5 0.2 . 1 . . . . 91 THR CB . 15955 1 134 . 1 1 91 91 THR CG2 C 13 22.9 0.2 . 1 . . . . 91 THR CG2 . 15955 1 135 . 1 1 91 91 THR N N 15 119.7 0.2 . 1 . . . . 91 THR N . 15955 1 136 . 1 1 97 97 ASP C C 13 178.5 0.2 . 1 . . . . 97 ASP C . 15955 1 137 . 1 1 97 97 ASP CA C 13 55.9 0.2 . 1 . . . . 97 ASP CA . 15955 1 138 . 1 1 97 97 ASP CB C 13 42.3 0.2 . 1 . . . . 97 ASP CB . 15955 1 139 . 1 1 97 97 ASP CG C 13 175.4 0.2 . 1 . . . . 97 ASP CG . 15955 1 140 . 1 1 97 97 ASP N N 15 114.6 0.2 . 1 . . . . 97 ASP N . 15955 1 141 . 1 1 98 98 TRP C C 13 177.8 0.2 . 1 . . . . 98 TRP C . 15955 1 142 . 1 1 98 98 TRP CA C 13 57.7 0.2 . 1 . . . . 98 TRP CA . 15955 1 143 . 1 1 98 98 TRP CB C 13 30.5 0.2 . 1 . . . . 98 TRP CB . 15955 1 144 . 1 1 98 98 TRP CD1 C 13 123.6 0.2 . 1 . . . . 98 TRP CD1 . 15955 1 145 . 1 1 98 98 TRP CG C 13 111.9 0.2 . 1 . . . . 98 TRP CG . 15955 1 146 . 1 1 98 98 TRP N N 15 114.1 0.2 . 1 . . . . 98 TRP N . 15955 1 147 . 1 1 99 99 LEU C C 13 173.5 0.2 . 1 . . . . 99 LEU C . 15955 1 148 . 1 1 99 99 LEU CA C 13 58.1 0.2 . 1 . . . . 99 LEU CA . 15955 1 149 . 1 1 99 99 LEU CB C 13 42.2 0.2 . 1 . . . . 99 LEU CB . 15955 1 150 . 1 1 99 99 LEU CG C 13 25.3 0.2 . 1 . . . . 99 LEU CG . 15955 1 151 . 1 1 99 99 LEU N N 15 114.0 0.2 . 1 . . . . 99 LEU N . 15955 1 152 . 1 1 100 100 LEU C C 13 178.0 0.2 . 1 . . . . 100 LEU C . 15955 1 153 . 1 1 100 100 LEU CA C 13 54.6 0.2 . 1 . . . . 100 LEU CA . 15955 1 154 . 1 1 100 100 LEU CB C 13 43.6 0.2 . 1 . . . . 100 LEU CB . 15955 1 155 . 1 1 100 100 LEU CD2 C 13 22.7 0.2 . 1 . . . . 100 LEU CD2 . 15955 1 156 . 1 1 100 100 LEU CG C 13 26.4 0.2 . 1 . . . . 100 LEU CG . 15955 1 157 . 1 1 101 101 THR C C 13 177.1 0.2 . 1 . . . . 101 THR C . 15955 1 158 . 1 1 101 101 THR CA C 13 65.8 0.2 . 1 . . . . 101 THR CA . 15955 1 159 . 1 1 101 101 THR CB C 13 69.7 0.2 . 1 . . . . 101 THR CB . 15955 1 160 . 1 1 101 101 THR CG2 C 13 23.1 0.2 . 1 . . . . 101 THR CG2 . 15955 1 161 . 1 1 101 101 THR N N 15 107.6 0.2 . 1 . . . . 101 THR N . 15955 1 162 . 1 1 102 102 VAL C C 13 175.3 0.2 . 1 . . . . 102 VAL C . 15955 1 163 . 1 1 102 102 VAL CA C 13 68.3 0.2 . 1 . . . . 102 VAL CA . 15955 1 164 . 1 1 102 102 VAL CB C 13 27.3 0.2 . 1 . . . . 102 VAL CB . 15955 1 165 . 1 1 102 102 VAL CG1 C 13 23.9 0.2 . 1 . . . . 102 VAL CG1 . 15955 1 166 . 1 1 102 102 VAL CG2 C 13 21.4 0.2 . 1 . . . . 102 VAL CG2 . 15955 1 167 . 1 1 102 102 VAL N N 15 123.1 0.2 . 1 . . . . 102 VAL N . 15955 1 168 . 1 1 103 103 PRO C C 13 179.0 0.2 . 1 . . . . 103 PRO C . 15955 1 169 . 1 1 103 103 PRO CA C 13 65.3 0.2 . 1 . . . . 103 PRO CA . 15955 1 170 . 1 1 103 103 PRO CB C 13 31.7 0.2 . 1 . . . . 103 PRO CB . 15955 1 171 . 1 1 103 103 PRO CD C 13 50.9 0.2 . 1 . . . . 103 PRO CD . 15955 1 172 . 1 1 103 103 PRO N N 15 135.0 0.2 . 1 . . . . 103 PRO N . 15955 1 173 . 1 1 104 104 LEU C C 13 177.7 0.2 . 1 . . . . 104 LEU C . 15955 1 174 . 1 1 104 104 LEU CA C 13 58.4 0.2 . 1 . . . . 104 LEU CA . 15955 1 175 . 1 1 104 104 LEU CB C 13 41.3 0.2 . 1 . . . . 104 LEU CB . 15955 1 176 . 1 1 104 104 LEU CD1 C 13 26.8 0.2 . 1 . . . . 104 LEU CD1 . 15955 1 177 . 1 1 104 104 LEU CG C 13 27.3 0.2 . 1 . . . . 104 LEU CG . 15955 1 178 . 1 1 104 104 LEU N N 15 114.7 0.2 . 1 . . . . 104 LEU N . 15955 1 179 . 1 1 105 105 LEU C C 13 180.2 0.2 . 1 . . . . 105 LEU C . 15955 1 180 . 1 1 105 105 LEU CA C 13 58.3 0.2 . 1 . . . . 105 LEU CA . 15955 1 181 . 1 1 105 105 LEU CB C 13 43.2 0.2 . 1 . . . . 105 LEU CB . 15955 1 182 . 1 1 105 105 LEU CD1 C 13 26.6 0.2 . 1 . . . . 105 LEU CD1 . 15955 1 183 . 1 1 105 105 LEU CD2 C 13 25.6 0.2 . 1 . . . . 105 LEU CD2 . 15955 1 184 . 1 1 105 105 LEU CG C 13 27.3 0.2 . 1 . . . . 105 LEU CG . 15955 1 185 . 1 1 105 105 LEU N N 15 118.9 0.2 . 1 . . . . 105 LEU N . 15955 1 186 . 1 1 106 106 ILE C C 13 178.8 0.2 . 1 . . . . 106 ILE C . 15955 1 187 . 1 1 106 106 ILE CA C 13 61.7 0.2 . 1 . . . . 106 ILE CA . 15955 1 188 . 1 1 106 106 ILE CB C 13 39.4 0.2 . 1 . . . . 106 ILE CB . 15955 1 189 . 1 1 106 106 ILE CD1 C 13 14.8 0.2 . 1 . . . . 106 ILE CD1 . 15955 1 190 . 1 1 106 106 ILE CG1 C 13 30.8 0.2 . 1 . . . . 106 ILE CG1 . 15955 1 191 . 1 1 106 106 ILE CG2 C 13 20.8 0.2 . 1 . . . . 106 ILE CG2 . 15955 1 192 . 1 1 106 106 ILE N N 15 117.2 0.2 . 1 . . . . 106 ILE N . 15955 1 193 . 1 1 107 107 CYS C C 13 177.3 0.2 . 1 . . . . 107 CYS C . 15955 1 194 . 1 1 107 107 CYS CA C 13 63.9 0.2 . 1 . . . . 107 CYS CA . 15955 1 195 . 1 1 107 107 CYS CB C 13 26.6 0.2 . 1 . . . . 107 CYS CB . 15955 1 196 . 1 1 107 107 CYS N N 15 119.3 0.2 . 1 . . . . 107 CYS N . 15955 1 197 . 1 1 108 108 GLU C C 13 178.6 0.2 . 1 . . . . 108 GLU C . 15955 1 198 . 1 1 108 108 GLU CA C 13 58.9 0.2 . 1 . . . . 108 GLU CA . 15955 1 199 . 1 1 108 108 GLU CB C 13 28.3 0.2 . 1 . . . . 108 GLU CB . 15955 1 200 . 1 1 108 108 GLU CG C 13 30.6 0.2 . 1 . . . . 108 GLU CG . 15955 1 201 . 1 1 108 108 GLU N N 15 120.7 0.2 . 1 . . . . 108 GLU N . 15955 1 202 . 1 1 109 109 PHE C C 13 177.6 0.2 . 1 . . . . 109 PHE C . 15955 1 203 . 1 1 109 109 PHE CA C 13 63.9 0.2 . 1 . . . . 109 PHE CA . 15955 1 204 . 1 1 109 109 PHE CB C 13 39.3 0.2 . 1 . . . . 109 PHE CB . 15955 1 205 . 1 1 109 109 PHE N N 15 115.3 0.2 . 1 . . . . 109 PHE N . 15955 1 206 . 1 1 110 110 TYR C C 13 175.7 0.2 . 1 . . . . 110 TYR C . 15955 1 207 . 1 1 110 110 TYR CA C 13 62.1 0.2 . 1 . . . . 110 TYR CA . 15955 1 208 . 1 1 110 110 TYR CB C 13 38.4 0.2 . 1 . . . . 110 TYR CB . 15955 1 209 . 1 1 110 110 TYR N N 15 114.0 0.2 . 1 . . . . 110 TYR N . 15955 1 210 . 1 1 111 111 LEU C C 13 180.6 0.2 . 1 . . . . 111 LEU C . 15955 1 211 . 1 1 111 111 LEU CA C 13 58.5 0.2 . 1 . . . . 111 LEU CA . 15955 1 212 . 1 1 111 111 LEU CB C 13 41.2 0.2 . 1 . . . . 111 LEU CB . 15955 1 213 . 1 1 111 111 LEU CD1 C 13 26.6 0.2 . 1 . . . . 111 LEU CD1 . 15955 1 214 . 1 1 111 111 LEU CD2 C 13 22.8 0.2 . 1 . . . . 111 LEU CD2 . 15955 1 215 . 1 1 111 111 LEU N N 15 118.4 0.2 . 1 . . . . 111 LEU N . 15955 1 216 . 1 1 112 112 ILE C C 13 177.0 0.2 . 1 . . . . 112 ILE C . 15955 1 217 . 1 1 112 112 ILE CA C 13 64.6 0.2 . 1 . . . . 112 ILE CA . 15955 1 218 . 1 1 112 112 ILE CB C 13 38.2 0.2 . 1 . . . . 112 ILE CB . 15955 1 219 . 1 1 112 112 ILE CD1 C 13 15.8 0.2 . 1 . . . . 112 ILE CD1 . 15955 1 220 . 1 1 112 112 ILE CG1 C 13 26.5 0.2 . 1 . . . . 112 ILE CG1 . 15955 1 221 . 1 1 112 112 ILE CG2 C 13 18.4 0.2 . 1 . . . . 112 ILE CG2 . 15955 1 222 . 1 1 112 112 ILE N N 15 113.7 0.2 . 1 . . . . 112 ILE N . 15955 1 223 . 1 1 113 113 LEU C C 13 178.7 0.2 . 1 . . . . 113 LEU C . 15955 1 224 . 1 1 113 113 LEU CA C 13 57.3 0.2 . 1 . . . . 113 LEU CA . 15955 1 225 . 1 1 113 113 LEU CB C 13 41.7 0.2 . 1 . . . . 113 LEU CB . 15955 1 226 . 1 1 113 113 LEU CD1 C 13 26.5 0.2 . 1 . . . . 113 LEU CD1 . 15955 1 227 . 1 1 113 113 LEU CD2 C 13 21.4 0.2 . 1 . . . . 113 LEU CD2 . 15955 1 228 . 1 1 113 113 LEU CG C 13 26.7 0.2 . 1 . . . . 113 LEU CG . 15955 1 229 . 1 1 113 113 LEU N N 15 119.7 0.2 . 1 . . . . 113 LEU N . 15955 1 230 . 1 1 114 114 ALA C C 13 179.1 0.2 . 1 . . . . 114 ALA C . 15955 1 231 . 1 1 114 114 ALA CA C 13 53.9 0.2 . 1 . . . . 114 ALA CA . 15955 1 232 . 1 1 114 114 ALA CB C 13 16.7 0.2 . 1 . . . . 114 ALA CB . 15955 1 233 . 1 1 114 114 ALA N N 15 122.9 0.2 . 1 . . . . 114 ALA N . 15955 1 234 . 1 1 115 115 ALA C C 13 177.7 0.2 . 1 . . . . 115 ALA C . 15955 1 235 . 1 1 115 115 ALA CA C 13 53.3 0.2 . 1 . . . . 115 ALA CA . 15955 1 236 . 1 1 115 115 ALA CB C 13 15.5 0.2 . 1 . . . . 115 ALA CB . 15955 1 237 . 1 1 115 115 ALA N N 15 118.4 0.2 . 1 . . . . 115 ALA N . 15955 1 238 . 1 1 116 116 ALA C C 13 177.7 0.2 . 1 . . . . 116 ALA C . 15955 1 239 . 1 1 116 116 ALA CA C 13 53.0 0.2 . 1 . . . . 116 ALA CA . 15955 1 240 . 1 1 116 116 ALA CB C 13 23.9 0.2 . 1 . . . . 116 ALA CB . 15955 1 241 . 1 1 116 116 ALA N N 15 118.2 0.2 . 1 . . . . 116 ALA N . 15955 1 242 . 1 1 117 117 THR N N 15 114.8 0.2 . 1 . . . . 117 THR N . 15955 1 243 . 1 1 126 126 LYS C C 13 178.6 0.2 . 1 . . . . 126 LYS C . 15955 1 244 . 1 1 126 126 LYS CA C 13 60.6 0.2 . 1 . . . . 126 LYS CA . 15955 1 245 . 1 1 126 126 LYS CB C 13 34.4 0.2 . 1 . . . . 126 LYS CB . 15955 1 246 . 1 1 126 126 LYS CD C 13 30.4 0.2 . 1 . . . . 126 LYS CD . 15955 1 247 . 1 1 126 126 LYS CE C 13 42.7 0.2 . 1 . . . . 126 LYS CE . 15955 1 248 . 1 1 126 126 LYS CG C 13 26.6 0.2 . 1 . . . . 126 LYS CG . 15955 1 249 . 1 1 126 126 LYS N N 15 117.0 0.2 . 1 . . . . 126 LYS N . 15955 1 250 . 1 1 126 126 LYS NZ N 15 33.4 0.2 . 1 . . . . 126 LYS NZ . 15955 1 251 . 1 1 127 127 LEU C C 13 178.5 0.2 . 1 . . . . 127 LEU C . 15955 1 252 . 1 1 127 127 LEU CA C 13 57.3 0.2 . 1 . . . . 127 LEU CA . 15955 1 253 . 1 1 127 127 LEU CB C 13 40.9 0.2 . 1 . . . . 127 LEU CB . 15955 1 254 . 1 1 127 127 LEU CD2 C 13 20.1 0.2 . 1 . . . . 127 LEU CD2 . 15955 1 255 . 1 1 127 127 LEU CG C 13 26.1 0.2 . 1 . . . . 127 LEU CG . 15955 1 256 . 1 1 127 127 LEU N N 15 115.6 0.2 . 1 . . . . 127 LEU N . 15955 1 257 . 1 1 128 128 LEU C C 13 178.7 0.2 . 1 . . . . 128 LEU C . 15955 1 258 . 1 1 128 128 LEU CA C 13 58.3 0.2 . 1 . . . . 128 LEU CA . 15955 1 259 . 1 1 128 128 LEU CB C 13 41.7 0.2 . 1 . . . . 128 LEU CB . 15955 1 260 . 1 1 128 128 LEU CD1 C 13 26.8 0.2 . 1 . . . . 128 LEU CD1 . 15955 1 261 . 1 1 128 128 LEU CD2 C 13 23.9 0.2 . 1 . . . . 128 LEU CD2 . 15955 1 262 . 1 1 128 128 LEU CG C 13 27.2 0.2 . 1 . . . . 128 LEU CG . 15955 1 263 . 1 1 128 128 LEU N N 15 120.5 0.2 . 1 . . . . 128 LEU N . 15955 1 264 . 1 1 129 129 VAL C C 13 177.7 0.2 . 1 . . . . 129 VAL C . 15955 1 265 . 1 1 129 129 VAL CA C 13 67.5 0.2 . 1 . . . . 129 VAL CA . 15955 1 266 . 1 1 129 129 VAL CB C 13 31.2 0.2 . 1 . . . . 129 VAL CB . 15955 1 267 . 1 1 129 129 VAL CG1 C 13 23.8 0.2 . 1 . . . . 129 VAL CG1 . 15955 1 268 . 1 1 129 129 VAL CG2 C 13 22.6 0.2 . 1 . . . . 129 VAL CG2 . 15955 1 269 . 1 1 129 129 VAL N N 15 116.3 0.2 . 1 . . . . 129 VAL N . 15955 1 270 . 1 1 130 130 GLY C C 13 175.3 0.2 . 1 . . . . 130 GLY C . 15955 1 271 . 1 1 130 130 GLY CA C 13 48.1 0.2 . 1 . . . . 130 GLY CA . 15955 1 272 . 1 1 130 130 GLY N N 15 105.7 0.2 . 1 . . . . 130 GLY N . 15955 1 273 . 1 1 131 131 SER C C 13 175.7 0.2 . 1 . . . . 131 SER C . 15955 1 274 . 1 1 131 131 SER CA C 13 63.3 0.2 . 1 . . . . 131 SER CA . 15955 1 275 . 1 1 131 131 SER CB C 13 62.7 0.2 . 1 . . . . 131 SER CB . 15955 1 276 . 1 1 131 131 SER N N 15 118.2 0.2 . 1 . . . . 131 SER N . 15955 1 277 . 1 1 132 132 LEU C C 13 178.8 0.2 . 1 . . . . 132 LEU C . 15955 1 278 . 1 1 132 132 LEU CA C 13 58.0 0.2 . 1 . . . . 132 LEU CA . 15955 1 279 . 1 1 132 132 LEU CB C 13 42.2 0.2 . 1 . . . . 132 LEU CB . 15955 1 280 . 1 1 132 132 LEU CD1 C 13 25.7 0.2 . 1 . . . . 132 LEU CD1 . 15955 1 281 . 1 1 132 132 LEU CD2 C 13 22.8 0.2 . 1 . . . . 132 LEU CD2 . 15955 1 282 . 1 1 132 132 LEU CG C 13 26.8 0.2 . 1 . . . . 132 LEU CG . 15955 1 283 . 1 1 132 132 LEU N N 15 122.8 0.2 . 1 . . . . 132 LEU N . 15955 1 284 . 1 1 133 133 VAL C C 13 177.0 0.2 . 1 . . . . 133 VAL C . 15955 1 285 . 1 1 133 133 VAL CA C 13 68.1 0.2 . 1 . . . . 133 VAL CA . 15955 1 286 . 1 1 133 133 VAL CB C 13 31.4 0.2 . 1 . . . . 133 VAL CB . 15955 1 287 . 1 1 133 133 VAL CG1 C 13 24.0 0.2 . 1 . . . . 133 VAL CG1 . 15955 1 288 . 1 1 133 133 VAL CG2 C 13 22.4 0.2 . 1 . . . . 133 VAL CG2 . 15955 1 289 . 1 1 133 133 VAL N N 15 119.5 0.2 . 1 . . . . 133 VAL N . 15955 1 290 . 1 1 134 134 MET C C 13 176.8 0.2 . 1 . . . . 134 MET C . 15955 1 291 . 1 1 134 134 MET CA C 13 59.7 0.2 . 1 . . . . 134 MET CA . 15955 1 292 . 1 1 134 134 MET CB C 13 35.0 0.2 . 1 . . . . 134 MET CB . 15955 1 293 . 1 1 134 134 MET CG C 13 30.2 0.2 . 1 . . . . 134 MET CG . 15955 1 294 . 1 1 134 134 MET N N 15 117.3 0.2 . 1 . . . . 134 MET N . 15955 1 295 . 1 1 135 135 LEU C C 13 178.9 0.2 . 1 . . . . 135 LEU C . 15955 1 296 . 1 1 135 135 LEU CA C 13 57.3 0.2 . 1 . . . . 135 LEU CA . 15955 1 297 . 1 1 135 135 LEU CB C 13 45.2 0.2 . 1 . . . . 135 LEU CB . 15955 1 298 . 1 1 135 135 LEU CD1 C 13 27.7 0.2 . 1 . . . . 135 LEU CD1 . 15955 1 299 . 1 1 135 135 LEU CD2 C 13 23.9 0.2 . 1 . . . . 135 LEU CD2 . 15955 1 300 . 1 1 135 135 LEU CG C 13 26.7 0.2 . 1 . . . . 135 LEU CG . 15955 1 301 . 1 1 135 135 LEU N N 15 113.9 0.2 . 1 . . . . 135 LEU N . 15955 1 302 . 1 1 136 136 VAL C C 13 178.1 0.2 . 1 . . . . 136 VAL C . 15955 1 303 . 1 1 136 136 VAL CA C 13 67.2 0.2 . 1 . . . . 136 VAL CA . 15955 1 304 . 1 1 136 136 VAL CB C 13 31.3 0.2 . 1 . . . . 136 VAL CB . 15955 1 305 . 1 1 136 136 VAL CG1 C 13 23.8 0.2 . 1 . . . . 136 VAL CG1 . 15955 1 306 . 1 1 136 136 VAL CG2 C 13 21.4 0.2 . 1 . . . . 136 VAL CG2 . 15955 1 307 . 1 1 136 136 VAL N N 15 117.9 0.2 . 1 . . . . 136 VAL N . 15955 1 308 . 1 1 137 137 PHE C C 13 177.9 0.2 . 1 . . . . 137 PHE C . 15955 1 309 . 1 1 137 137 PHE CA C 13 64.1 0.2 . 1 . . . . 137 PHE CA . 15955 1 310 . 1 1 137 137 PHE CB C 13 36.8 0.2 . 1 . . . . 137 PHE CB . 15955 1 311 . 1 1 137 137 PHE CG C 13 144.0 0.2 . 1 . . . . 137 PHE CG . 15955 1 312 . 1 1 137 137 PHE N N 15 117.0 0.2 . 1 . . . . 137 PHE N . 15955 1 313 . 1 1 138 138 GLY C C 13 175.3 0.2 . 1 . . . . 138 GLY C . 15955 1 314 . 1 1 138 138 GLY CA C 13 49.2 0.2 . 1 . . . . 138 GLY CA . 15955 1 315 . 1 1 138 138 GLY N N 15 106.2 0.2 . 1 . . . . 138 GLY N . 15955 1 316 . 1 1 139 139 TYR C C 13 176.8 0.2 . 1 . . . . 139 TYR C . 15955 1 317 . 1 1 139 139 TYR CA C 13 62.2 0.2 . 1 . . . . 139 TYR CA . 15955 1 318 . 1 1 139 139 TYR CB C 13 38.0 0.2 . 1 . . . . 139 TYR CB . 15955 1 319 . 1 1 139 139 TYR N N 15 121.8 0.2 . 1 . . . . 139 TYR N . 15955 1 320 . 1 1 140 140 MET C C 13 179.5 0.2 . 1 . . . . 140 MET C . 15955 1 321 . 1 1 140 140 MET CA C 13 60.8 0.2 . 1 . . . . 140 MET CA . 15955 1 322 . 1 1 140 140 MET CB C 13 34.4 0.2 . 1 . . . . 140 MET CB . 15955 1 323 . 1 1 140 140 MET CG C 13 32.5 0.2 . 1 . . . . 140 MET CG . 15955 1 324 . 1 1 140 140 MET N N 15 115.1 0.2 . 1 . . . . 140 MET N . 15955 1 325 . 1 1 141 141 GLY C C 13 176.3 0.2 . 1 . . . . 141 GLY C . 15955 1 326 . 1 1 141 141 GLY CA C 13 46.5 0.2 . 1 . . . . 141 GLY CA . 15955 1 327 . 1 1 141 141 GLY N N 15 107.4 0.2 . 1 . . . . 141 GLY N . 15955 1 328 . 1 1 142 142 GLU C C 13 178.4 0.2 . 1 . . . . 142 GLU C . 15955 1 329 . 1 1 142 142 GLU CA C 13 61.1 0.2 . 1 . . . . 142 GLU CA . 15955 1 330 . 1 1 142 142 GLU CB C 13 29.4 0.2 . 1 . . . . 142 GLU CB . 15955 1 331 . 1 1 142 142 GLU CD C 13 179.0 0.2 . 1 . . . . 142 GLU CD . 15955 1 332 . 1 1 142 142 GLU CG C 13 39.6 0.2 . 1 . . . . 142 GLU CG . 15955 1 333 . 1 1 142 142 GLU N N 15 123.1 0.2 . 1 . . . . 142 GLU N . 15955 1 334 . 1 1 143 143 ALA C C 13 178.2 0.2 . 1 . . . . 143 ALA C . 15955 1 335 . 1 1 143 143 ALA CA C 13 51.9 0.2 . 1 . . . . 143 ALA CA . 15955 1 336 . 1 1 143 143 ALA CB C 13 18.8 0.2 . 1 . . . . 143 ALA CB . 15955 1 337 . 1 1 143 143 ALA N N 15 117.5 0.2 . 1 . . . . 143 ALA N . 15955 1 338 . 1 1 144 144 GLY C C 13 174.7 0.2 . 1 . . . . 144 GLY C . 15955 1 339 . 1 1 144 144 GLY CA C 13 45.8 0.2 . 1 . . . . 144 GLY CA . 15955 1 340 . 1 1 144 144 GLY N N 15 106.0 0.2 . 1 . . . . 144 GLY N . 15955 1 341 . 1 1 145 145 ILE C C 13 174.6 0.2 . 1 . . . . 145 ILE C . 15955 1 342 . 1 1 145 145 ILE CA C 13 63.2 0.2 . 1 . . . . 145 ILE CA . 15955 1 343 . 1 1 145 145 ILE CB C 13 39.4 0.2 . 1 . . . . 145 ILE CB . 15955 1 344 . 1 1 145 145 ILE CD1 C 13 14.3 0.2 . 1 . . . . 145 ILE CD1 . 15955 1 345 . 1 1 145 145 ILE CG1 C 13 29.0 0.2 . 1 . . . . 145 ILE CG1 . 15955 1 346 . 1 1 145 145 ILE CG2 C 13 17.6 0.2 . 1 . . . . 145 ILE CG2 . 15955 1 347 . 1 1 145 145 ILE N N 15 121.0 0.2 . 1 . . . . 145 ILE N . 15955 1 348 . 1 1 146 146 MET C C 13 173.8 0.2 . 1 . . . . 146 MET C . 15955 1 349 . 1 1 146 146 MET CA C 13 52.9 0.2 . 1 . . . . 146 MET CA . 15955 1 350 . 1 1 146 146 MET CB C 13 38.0 0.2 . 1 . . . . 146 MET CB . 15955 1 351 . 1 1 146 146 MET CG C 13 32.1 0.2 . 1 . . . . 146 MET CG . 15955 1 352 . 1 1 146 146 MET N N 15 114.5 0.2 . 1 . . . . 146 MET N . 15955 1 353 . 1 1 147 147 ALA C C 13 177.0 0.2 . 1 . . . . 147 ALA C . 15955 1 354 . 1 1 147 147 ALA CA C 13 53.3 0.2 . 1 . . . . 147 ALA CA . 15955 1 355 . 1 1 147 147 ALA CB C 13 18.7 0.2 . 1 . . . . 147 ALA CB . 15955 1 356 . 1 1 147 147 ALA N N 15 125.5 0.2 . 1 . . . . 147 ALA N . 15955 1 357 . 1 1 148 148 ALA C C 13 182.0 0.2 . 1 . . . . 148 ALA C . 15955 1 358 . 1 1 148 148 ALA CA C 13 55.8 0.2 . 1 . . . . 148 ALA CA . 15955 1 359 . 1 1 148 148 ALA CB C 13 18.9 0.2 . 1 . . . . 148 ALA CB . 15955 1 360 . 1 1 148 148 ALA N N 15 124.4 0.2 . 1 . . . . 148 ALA N . 15955 1 361 . 1 1 149 149 TRP C C 13 176.2 0.2 . 1 . . . . 149 TRP C . 15955 1 362 . 1 1 149 149 TRP CA C 13 62.9 0.2 . 1 . . . . 149 TRP CA . 15955 1 363 . 1 1 149 149 TRP CB C 13 28.7 0.2 . 1 . . . . 149 TRP CB . 15955 1 364 . 1 1 149 149 TRP CD1 C 13 130.5 0.2 . 1 . . . . 149 TRP CD1 . 15955 1 365 . 1 1 149 149 TRP CG C 13 113.7 0.2 . 1 . . . . 149 TRP CG . 15955 1 366 . 1 1 149 149 TRP N N 15 118.6 0.2 . 1 . . . . 149 TRP N . 15955 1 367 . 1 1 150 150 PRO CA C 13 66.5 0.2 . 1 . . . . 150 PRO CA . 15955 1 368 . 1 1 150 150 PRO CD C 13 49.2 0.2 . 1 . . . . 150 PRO CD . 15955 1 369 . 1 1 150 150 PRO N N 15 132.4 0.2 . 1 . . . . 150 PRO N . 15955 1 370 . 1 1 151 151 ALA C C 13 178.2 0.2 . 1 . . . . 151 ALA C . 15955 1 371 . 1 1 151 151 ALA CA C 13 56.6 0.2 . 1 . . . . 151 ALA CA . 15955 1 372 . 1 1 151 151 ALA CB C 13 18.5 0.2 . 1 . . . . 151 ALA CB . 15955 1 373 . 1 1 151 151 ALA N N 15 118.0 0.2 . 1 . . . . 151 ALA N . 15955 1 374 . 1 1 152 152 PHE C C 13 177.5 0.2 . 1 . . . . 152 PHE C . 15955 1 375 . 1 1 152 152 PHE CA C 13 60.8 0.2 . 1 . . . . 152 PHE CA . 15955 1 376 . 1 1 152 152 PHE CB C 13 40.2 0.2 . 1 . . . . 152 PHE CB . 15955 1 377 . 1 1 152 152 PHE N N 15 116.7 0.2 . 1 . . . . 152 PHE N . 15955 1 378 . 1 1 153 153 ILE C C 13 177.1 0.2 . 1 . . . . 153 ILE C . 15955 1 379 . 1 1 153 153 ILE CA C 13 65.2 0.2 . 1 . . . . 153 ILE CA . 15955 1 380 . 1 1 153 153 ILE CB C 13 37.9 0.2 . 1 . . . . 153 ILE CB . 15955 1 381 . 1 1 153 153 ILE CD1 C 13 13.4 0.2 . 1 . . . . 153 ILE CD1 . 15955 1 382 . 1 1 153 153 ILE CG1 C 13 29.5 0.2 . 1 . . . . 153 ILE CG1 . 15955 1 383 . 1 1 153 153 ILE CG2 C 13 17.3 0.2 . 1 . . . . 153 ILE CG2 . 15955 1 384 . 1 1 153 153 ILE N N 15 118.5 0.2 . 1 . . . . 153 ILE N . 15955 1 385 . 1 1 154 154 ILE C C 13 177.5 0.2 . 1 . . . . 154 ILE C . 15955 1 386 . 1 1 154 154 ILE CA C 13 65.6 0.2 . 1 . . . . 154 ILE CA . 15955 1 387 . 1 1 154 154 ILE CB C 13 37.1 0.2 . 1 . . . . 154 ILE CB . 15955 1 388 . 1 1 154 154 ILE CD1 C 13 13.2 0.2 . 1 . . . . 154 ILE CD1 . 15955 1 389 . 1 1 154 154 ILE CG1 C 13 29.7 0.2 . 1 . . . . 154 ILE CG1 . 15955 1 390 . 1 1 154 154 ILE CG2 C 13 16.4 0.2 . 1 . . . . 154 ILE CG2 . 15955 1 391 . 1 1 154 154 ILE N N 15 118.1 0.2 . 1 . . . . 154 ILE N . 15955 1 392 . 1 1 155 155 GLY C C 13 175.9 0.2 . 1 . . . . 155 GLY C . 15955 1 393 . 1 1 155 155 GLY CA C 13 48.2 0.2 . 1 . . . . 155 GLY CA . 15955 1 394 . 1 1 155 155 GLY N N 15 105.5 0.2 . 1 . . . . 155 GLY N . 15955 1 395 . 1 1 156 156 CYS C C 13 177.1 0.2 . 1 . . . . 156 CYS C . 15955 1 396 . 1 1 156 156 CYS CA C 13 65.1 0.2 . 1 . . . . 156 CYS CA . 15955 1 397 . 1 1 156 156 CYS CB C 13 27.5 0.2 . 1 . . . . 156 CYS CB . 15955 1 398 . 1 1 156 156 CYS N N 15 119.1 0.2 . 1 . . . . 156 CYS N . 15955 1 399 . 1 1 157 157 LEU C C 13 177.8 0.2 . 1 . . . . 157 LEU C . 15955 1 400 . 1 1 157 157 LEU CA C 13 58.2 0.2 . 1 . . . . 157 LEU CA . 15955 1 401 . 1 1 157 157 LEU CB C 13 41.3 0.2 . 1 . . . . 157 LEU CB . 15955 1 402 . 1 1 157 157 LEU CD1 C 13 26.0 0.2 . 1 . . . . 157 LEU CD1 . 15955 1 403 . 1 1 157 157 LEU CD2 C 13 23.3 0.2 . 1 . . . . 157 LEU CD2 . 15955 1 404 . 1 1 157 157 LEU CG C 13 26.6 0.2 . 1 . . . . 157 LEU CG . 15955 1 405 . 1 1 157 157 LEU N N 15 120.5 0.2 . 1 . . . . 157 LEU N . 15955 1 406 . 1 1 158 158 ALA C C 13 178.5 0.2 . 1 . . . . 158 ALA C . 15955 1 407 . 1 1 158 158 ALA CA C 13 55.7 0.2 . 1 . . . . 158 ALA CA . 15955 1 408 . 1 1 158 158 ALA CB C 13 18.1 0.2 . 1 . . . . 158 ALA CB . 15955 1 409 . 1 1 158 158 ALA N N 15 121.3 0.2 . 1 . . . . 158 ALA N . 15955 1 410 . 1 1 159 159 TRP C C 13 177.5 0.2 . 1 . . . . 159 TRP C . 15955 1 411 . 1 1 159 159 TRP CA C 13 59.4 0.2 . 1 . . . . 159 TRP CA . 15955 1 412 . 1 1 159 159 TRP CB C 13 29.5 0.2 . 1 . . . . 159 TRP CB . 15955 1 413 . 1 1 159 159 TRP CD1 C 13 122.7 0.2 . 1 . . . . 159 TRP CD1 . 15955 1 414 . 1 1 159 159 TRP CE2 C 13 139.5 0.2 . 1 . . . . 159 TRP CE2 . 15955 1 415 . 1 1 159 159 TRP CG C 13 110.8 0.2 . 1 . . . . 159 TRP CG . 15955 1 416 . 1 1 159 159 TRP N N 15 119.2 0.2 . 1 . . . . 159 TRP N . 15955 1 417 . 1 1 160 160 VAL C C 13 177.2 0.2 . 1 . . . . 160 VAL C . 15955 1 418 . 1 1 160 160 VAL CA C 13 66.3 0.2 . 1 . . . . 160 VAL CA . 15955 1 419 . 1 1 160 160 VAL CB C 13 31.0 0.2 . 1 . . . . 160 VAL CB . 15955 1 420 . 1 1 160 160 VAL CG1 C 13 23.0 0.2 . 1 . . . . 160 VAL CG1 . 15955 1 421 . 1 1 160 160 VAL CG2 C 13 21.9 0.2 . 1 . . . . 160 VAL CG2 . 15955 1 422 . 1 1 160 160 VAL N N 15 116.0 0.2 . 1 . . . . 160 VAL N . 15955 1 423 . 1 1 161 161 TYR C C 13 176.3 0.2 . 1 . . . . 161 TYR C . 15955 1 424 . 1 1 161 161 TYR CA C 13 62.3 0.2 . 1 . . . . 161 TYR CA . 15955 1 425 . 1 1 161 161 TYR CB C 13 38.0 0.2 . 1 . . . . 161 TYR CB . 15955 1 426 . 1 1 161 161 TYR CD1 C 13 132.3 0.2 . 1 . . . . 161 TYR CD1 . 15955 1 427 . 1 1 161 161 TYR CG C 13 129.4 0.2 . 1 . . . . 161 TYR CG . 15955 1 428 . 1 1 161 161 TYR N N 15 121.3 0.2 . 1 . . . . 161 TYR N . 15955 1 429 . 1 1 162 162 MET C C 13 177.6 0.2 . 1 . . . . 162 MET C . 15955 1 430 . 1 1 162 162 MET CA C 13 60.9 0.2 . 1 . . . . 162 MET CA . 15955 1 431 . 1 1 162 162 MET CB C 13 33.8 0.2 . 1 . . . . 162 MET CB . 15955 1 432 . 1 1 162 162 MET CG C 13 32.2 0.2 . 1 . . . . 162 MET CG . 15955 1 433 . 1 1 162 162 MET N N 15 117.2 0.2 . 1 . . . . 162 MET N . 15955 1 434 . 1 1 163 163 ILE C C 13 177.3 0.2 . 1 . . . . 163 ILE C . 15955 1 435 . 1 1 163 163 ILE CA C 13 66.4 0.2 . 1 . . . . 163 ILE CA . 15955 1 436 . 1 1 163 163 ILE CB C 13 37.5 0.2 . 1 . . . . 163 ILE CB . 15955 1 437 . 1 1 163 163 ILE CD1 C 13 12.1 0.2 . 1 . . . . 163 ILE CD1 . 15955 1 438 . 1 1 163 163 ILE CG1 C 13 28.9 0.2 . 1 . . . . 163 ILE CG1 . 15955 1 439 . 1 1 163 163 ILE CG2 C 13 18.1 0.2 . 1 . . . . 163 ILE CG2 . 15955 1 440 . 1 1 163 163 ILE N N 15 116.9 0.2 . 1 . . . . 163 ILE N . 15955 1 441 . 1 1 164 164 TYR C C 13 177.6 0.2 . 1 . . . . 164 TYR C . 15955 1 442 . 1 1 164 164 TYR CA C 13 62.5 0.2 . 1 . . . . 164 TYR CA . 15955 1 443 . 1 1 164 164 TYR CB C 13 37.6 0.2 . 1 . . . . 164 TYR CB . 15955 1 444 . 1 1 164 164 TYR N N 15 120.2 0.2 . 1 . . . . 164 TYR N . 15955 1 445 . 1 1 165 165 GLU C C 13 179.4 0.2 . 1 . . . . 165 GLU C . 15955 1 446 . 1 1 165 165 GLU CA C 13 59.2 0.2 . 1 . . . . 165 GLU CA . 15955 1 447 . 1 1 165 165 GLU CD C 13 182.0 0.2 . 1 . . . . 165 GLU CD . 15955 1 448 . 1 1 166 166 LEU C C 13 178.2 0.2 . 1 . . . . 166 LEU C . 15955 1 449 . 1 1 166 166 LEU CA C 13 55.7 0.2 . 1 . . . . 166 LEU CA . 15955 1 450 . 1 1 166 166 LEU CB C 13 41.4 0.2 . 1 . . . . 166 LEU CB . 15955 1 451 . 1 1 166 166 LEU CD1 C 13 24.4 0.2 . 1 . . . . 166 LEU CD1 . 15955 1 452 . 1 1 166 166 LEU CD2 C 13 21.9 0.2 . 1 . . . . 166 LEU CD2 . 15955 1 453 . 1 1 166 166 LEU CG C 13 25.4 0.2 . 1 . . . . 166 LEU CG . 15955 1 454 . 1 1 166 166 LEU N N 15 118.3 0.2 . 1 . . . . 166 LEU N . 15955 1 455 . 1 1 167 167 TRP C C 13 177.1 0.2 . 1 . . . . 167 TRP C . 15955 1 456 . 1 1 167 167 TRP CA C 13 59.3 0.2 . 1 . . . . 167 TRP CA . 15955 1 457 . 1 1 167 167 TRP CB C 13 30.0 0.2 . 1 . . . . 167 TRP CB . 15955 1 458 . 1 1 167 167 TRP N N 15 121.7 0.2 . 1 . . . . 167 TRP N . 15955 1 459 . 1 1 168 168 ALA C C 13 177.1 0.2 . 1 . . . . 168 ALA C . 15955 1 460 . 1 1 168 168 ALA CA C 13 51.6 0.2 . 1 . . . . 168 ALA CA . 15955 1 461 . 1 1 168 168 ALA CB C 13 22.7 0.2 . 1 . . . . 168 ALA CB . 15955 1 462 . 1 1 168 168 ALA N N 15 117.3 0.2 . 1 . . . . 168 ALA N . 15955 1 463 . 1 1 169 169 GLY C C 13 174.6 0.2 . 1 . . . . 169 GLY C . 15955 1 464 . 1 1 169 169 GLY CA C 13 44.9 0.2 . 1 . . . . 169 GLY CA . 15955 1 465 . 1 1 169 169 GLY N N 15 109.4 0.2 . 1 . . . . 169 GLY N . 15955 1 466 . 1 1 170 170 GLU C C 13 179.7 0.2 . 1 . . . . 170 GLU C . 15955 1 467 . 1 1 170 170 GLU CA C 13 59.5 0.2 . 1 . . . . 170 GLU CA . 15955 1 468 . 1 1 170 170 GLU CB C 13 30.6 0.2 . 1 . . . . 170 GLU CB . 15955 1 469 . 1 1 170 170 GLU CG C 13 36.2 0.2 . 1 . . . . 170 GLU CG . 15955 1 470 . 1 1 170 170 GLU N N 15 125.9 0.2 . 1 . . . . 170 GLU N . 15955 1 471 . 1 1 171 171 GLY C C 13 174.2 0.2 . 1 . . . . 171 GLY C . 15955 1 472 . 1 1 171 171 GLY CA C 13 47.9 0.2 . 1 . . . . 171 GLY CA . 15955 1 473 . 1 1 171 171 GLY N N 15 105.3 0.2 . 1 . . . . 171 GLY N . 15955 1 474 . 1 1 172 172 LYS C C 13 178.0 0.2 . 1 . . . . 172 LYS C . 15955 1 475 . 1 1 172 172 LYS CA C 13 57.5 0.2 . 1 . . . . 172 LYS CA . 15955 1 476 . 1 1 172 172 LYS CB C 13 30.3 0.2 . 1 . . . . 172 LYS CB . 15955 1 477 . 1 1 172 172 LYS CD C 13 27.8 0.2 . 1 . . . . 172 LYS CD . 15955 1 478 . 1 1 172 172 LYS CG C 13 23.5 0.2 . 1 . . . . 172 LYS CG . 15955 1 479 . 1 1 172 172 LYS N N 15 122.8 0.2 . 1 . . . . 172 LYS N . 15955 1 480 . 1 1 173 173 SER C C 13 176.7 0.2 . 1 . . . . 173 SER C . 15955 1 481 . 1 1 173 173 SER CA C 13 61.8 0.2 . 1 . . . . 173 SER CA . 15955 1 482 . 1 1 173 173 SER CB C 13 62.7 0.2 . 1 . . . . 173 SER CB . 15955 1 483 . 1 1 173 173 SER N N 15 112.4 0.2 . 1 . . . . 173 SER N . 15955 1 484 . 1 1 174 174 ALA C C 13 180.0 0.2 . 1 . . . . 174 ALA C . 15955 1 485 . 1 1 174 174 ALA CA C 13 54.4 0.2 . 1 . . . . 174 ALA CA . 15955 1 486 . 1 1 174 174 ALA CB C 13 18.9 0.2 . 1 . . . . 174 ALA CB . 15955 1 487 . 1 1 174 174 ALA N N 15 121.3 0.2 . 1 . . . . 174 ALA N . 15955 1 488 . 1 1 175 175 CYS C C 13 176.2 0.2 . 1 . . . . 175 CYS C . 15955 1 489 . 1 1 175 175 CYS CA C 13 61.8 0.2 . 1 . . . . 175 CYS CA . 15955 1 490 . 1 1 175 175 CYS CB C 13 25.7 0.2 . 1 . . . . 175 CYS CB . 15955 1 491 . 1 1 175 175 CYS N N 15 122.6 0.2 . 1 . . . . 175 CYS N . 15955 1 492 . 1 1 176 176 ASN C C 13 176.1 0.2 . 1 . . . . 176 ASN C . 15955 1 493 . 1 1 176 176 ASN CA C 13 55.0 0.2 . 1 . . . . 176 ASN CA . 15955 1 494 . 1 1 176 176 ASN CB C 13 38.3 0.2 . 1 . . . . 176 ASN CB . 15955 1 495 . 1 1 176 176 ASN CG C 13 175.5 0.2 . 1 . . . . 176 ASN CG . 15955 1 496 . 1 1 176 176 ASN N N 15 114.3 0.2 . 1 . . . . 176 ASN N . 15955 1 497 . 1 1 176 176 ASN ND2 N 15 110.6 0.2 . 1 . . . . 176 ASN ND2 . 15955 1 498 . 1 1 177 177 THR C C 13 173.9 0.2 . 1 . . . . 177 THR C . 15955 1 499 . 1 1 177 177 THR CA C 13 61.5 0.2 . 1 . . . . 177 THR CA . 15955 1 500 . 1 1 177 177 THR CB C 13 70.2 0.2 . 1 . . . . 177 THR CB . 15955 1 501 . 1 1 177 177 THR CG2 C 13 21.5 0.2 . 1 . . . . 177 THR CG2 . 15955 1 502 . 1 1 177 177 THR N N 15 107.6 0.2 . 1 . . . . 177 THR N . 15955 1 503 . 1 1 178 178 ALA C C 13 176.2 0.2 . 1 . . . . 178 ALA C . 15955 1 504 . 1 1 178 178 ALA CA C 13 50.7 0.2 . 1 . . . . 178 ALA CA . 15955 1 505 . 1 1 178 178 ALA CB C 13 20.8 0.2 . 1 . . . . 178 ALA CB . 15955 1 506 . 1 1 178 178 ALA N N 15 125.4 0.2 . 1 . . . . 178 ALA N . 15955 1 507 . 1 1 179 179 SER C C 13 172.9 0.2 . 1 . . . . 179 SER C . 15955 1 508 . 1 1 179 179 SER CA C 13 56.9 0.2 . 1 . . . . 179 SER CA . 15955 1 509 . 1 1 179 179 SER CB C 13 62.6 0.2 . 1 . . . . 179 SER CB . 15955 1 510 . 1 1 179 179 SER N N 15 117.3 0.2 . 1 . . . . 179 SER N . 15955 1 511 . 1 1 180 180 PRO C C 13 179.3 0.2 . 1 . . . . 180 PRO C . 15955 1 512 . 1 1 180 180 PRO CA C 13 66.1 0.2 . 1 . . . . 180 PRO CA . 15955 1 513 . 1 1 180 180 PRO CB C 13 31.8 0.2 . 1 . . . . 180 PRO CB . 15955 1 514 . 1 1 180 180 PRO CD C 13 50.3 0.2 . 1 . . . . 180 PRO CD . 15955 1 515 . 1 1 180 180 PRO CG C 13 28.0 0.2 . 1 . . . . 180 PRO CG . 15955 1 516 . 1 1 180 180 PRO N N 15 135.0 0.2 . 1 . . . . 180 PRO N . 15955 1 517 . 1 1 181 181 ALA C C 13 180.8 0.2 . 1 . . . . 181 ALA C . 15955 1 518 . 1 1 181 181 ALA CA C 13 55.2 0.2 . 1 . . . . 181 ALA CA . 15955 1 519 . 1 1 181 181 ALA CB C 13 18.2 0.2 . 1 . . . . 181 ALA CB . 15955 1 520 . 1 1 181 181 ALA N N 15 119.3 0.2 . 1 . . . . 181 ALA N . 15955 1 521 . 1 1 182 182 VAL C C 13 177.2 0.2 . 1 . . . . 182 VAL C . 15955 1 522 . 1 1 182 182 VAL CA C 13 66.8 0.2 . 1 . . . . 182 VAL CA . 15955 1 523 . 1 1 182 182 VAL CB C 13 30.8 0.2 . 1 . . . . 182 VAL CB . 15955 1 524 . 1 1 182 182 VAL CG1 C 13 24.0 0.2 . 1 . . . . 182 VAL CG1 . 15955 1 525 . 1 1 182 182 VAL CG2 C 13 21.0 0.2 . 1 . . . . 182 VAL CG2 . 15955 1 526 . 1 1 182 182 VAL N N 15 121.2 0.2 . 1 . . . . 182 VAL N . 15955 1 527 . 1 1 183 183 GLN C C 13 178.5 0.2 . 1 . . . . 183 GLN C . 15955 1 528 . 1 1 183 183 GLN CA C 13 60.1 0.2 . 1 . . . . 183 GLN CA . 15955 1 529 . 1 1 183 183 GLN CB C 13 27.6 0.2 . 1 . . . . 183 GLN CB . 15955 1 530 . 1 1 183 183 GLN CD C 13 180.7 0.2 . 1 . . . . 183 GLN CD . 15955 1 531 . 1 1 183 183 GLN CG C 13 34.0 0.2 . 1 . . . . 183 GLN CG . 15955 1 532 . 1 1 183 183 GLN N N 15 119.0 0.2 . 1 . . . . 183 GLN N . 15955 1 533 . 1 1 183 183 GLN NE2 N 15 112.3 0.2 . 1 . . . . 183 GLN NE2 . 15955 1 534 . 1 1 184 184 SER C C 13 177.4 0.2 . 1 . . . . 184 SER C . 15955 1 535 . 1 1 184 184 SER CA C 13 61.5 0.2 . 1 . . . . 184 SER CA . 15955 1 536 . 1 1 184 184 SER CB C 13 63.0 0.2 . 1 . . . . 184 SER CB . 15955 1 537 . 1 1 184 184 SER N N 15 112.3 0.2 . 1 . . . . 184 SER N . 15955 1 538 . 1 1 185 185 ALA C C 13 177.6 0.2 . 1 . . . . 185 ALA C . 15955 1 539 . 1 1 185 185 ALA CA C 13 55.5 0.2 . 1 . . . . 185 ALA CA . 15955 1 540 . 1 1 185 185 ALA CB C 13 18.1 0.2 . 1 . . . . 185 ALA CB . 15955 1 541 . 1 1 185 185 ALA N N 15 124.6 0.2 . 1 . . . . 185 ALA N . 15955 1 542 . 1 1 186 186 TYR C C 13 177.7 0.2 . 1 . . . . 186 TYR C . 15955 1 543 . 1 1 186 186 TYR CA C 13 61.5 0.2 . 1 . . . . 186 TYR CA . 15955 1 544 . 1 1 186 186 TYR CB C 13 39.8 0.2 . 1 . . . . 186 TYR CB . 15955 1 545 . 1 1 186 186 TYR N N 15 118.7 0.2 . 1 . . . . 186 TYR N . 15955 1 546 . 1 1 187 187 ASN C C 13 176.8 0.2 . 1 . . . . 187 ASN C . 15955 1 547 . 1 1 187 187 ASN CA C 13 56.6 0.2 . 1 . . . . 187 ASN CA . 15955 1 548 . 1 1 187 187 ASN CB C 13 38.5 0.2 . 1 . . . . 187 ASN CB . 15955 1 549 . 1 1 187 187 ASN CG C 13 175.6 0.2 . 1 . . . . 187 ASN CG . 15955 1 550 . 1 1 187 187 ASN N N 15 117.3 0.2 . 1 . . . . 187 ASN N . 15955 1 551 . 1 1 188 188 THR C C 13 176.5 0.2 . 1 . . . . 188 THR C . 15955 1 552 . 1 1 188 188 THR CA C 13 68.2 0.2 . 1 . . . . 188 THR CA . 15955 1 553 . 1 1 188 188 THR CG2 C 13 22.7 0.2 . 1 . . . . 188 THR CG2 . 15955 1 554 . 1 1 188 188 THR N N 15 117.0 0.2 . 1 . . . . 188 THR N . 15955 1 555 . 1 1 189 189 MET C C 13 178.8 0.2 . 1 . . . . 189 MET C . 15955 1 556 . 1 1 189 189 MET CA C 13 60.0 0.2 . 1 . . . . 189 MET CA . 15955 1 557 . 1 1 189 189 MET CB C 13 35.9 0.2 . 1 . . . . 189 MET CB . 15955 1 558 . 1 1 189 189 MET CE C 13 20.0 0.2 . 1 . . . . 189 MET CE . 15955 1 559 . 1 1 189 189 MET CG C 13 30.2 0.2 . 1 . . . . 189 MET CG . 15955 1 560 . 1 1 189 189 MET N N 15 120.0 0.2 . 1 . . . . 189 MET N . 15955 1 561 . 1 1 190 190 MET CA C 13 59.4 0.2 . 1 . . . . 190 MET CA . 15955 1 562 . 1 1 190 190 MET CB C 13 32.8 0.2 . 1 . . . . 190 MET CB . 15955 1 563 . 1 1 190 190 MET CG C 13 31.1 0.2 . 1 . . . . 190 MET CG . 15955 1 564 . 1 1 190 190 MET N N 15 120.1 0.2 . 1 . . . . 190 MET N . 15955 1 565 . 1 1 193 193 ILE C C 13 174.9 0.2 . 1 . . . . 193 ILE C . 15955 1 566 . 1 1 193 193 ILE CA C 13 62.3 0.2 . 1 . . . . 193 ILE CA . 15955 1 567 . 1 1 193 193 ILE CB C 13 36.5 0.2 . 1 . . . . 193 ILE CB . 15955 1 568 . 1 1 193 193 ILE CG1 C 13 28.3 0.2 . 1 . . . . 193 ILE CG1 . 15955 1 569 . 1 1 193 193 ILE CG2 C 13 19.0 0.2 . 1 . . . . 193 ILE CG2 . 15955 1 570 . 1 1 194 194 ILE C C 13 174.4 0.2 . 1 . . . . 194 ILE C . 15955 1 571 . 1 1 194 194 ILE CA C 13 64.3 0.2 . 1 . . . . 194 ILE CA . 15955 1 572 . 1 1 194 194 ILE CB C 13 39.7 0.2 . 1 . . . . 194 ILE CB . 15955 1 573 . 1 1 194 194 ILE CD1 C 13 14.5 0.2 . 1 . . . . 194 ILE CD1 . 15955 1 574 . 1 1 194 194 ILE CG1 C 13 28.0 0.2 . 1 . . . . 194 ILE CG1 . 15955 1 575 . 1 1 194 194 ILE CG2 C 13 16.6 0.2 . 1 . . . . 194 ILE CG2 . 15955 1 576 . 1 1 194 194 ILE N N 15 117.5 0.2 . 1 . . . . 194 ILE N . 15955 1 577 . 1 1 195 195 PHE C C 13 177.2 0.2 . 1 . . . . 195 PHE C . 15955 1 578 . 1 1 195 195 PHE CA C 13 61.3 0.2 . 1 . . . . 195 PHE CA . 15955 1 579 . 1 1 195 195 PHE CB C 13 40.7 0.2 . 1 . . . . 195 PHE CB . 15955 1 580 . 1 1 195 195 PHE CD1 C 13 131.9 0.2 . 1 . . . . 195 PHE CD1 . 15955 1 581 . 1 1 195 195 PHE CG C 13 141.1 0.2 . 1 . . . . 195 PHE CG . 15955 1 582 . 1 1 195 195 PHE N N 15 111.0 0.2 . 1 . . . . 195 PHE N . 15955 1 583 . 1 1 196 196 GLY C C 13 178.6 0.2 . 1 . . . . 196 GLY C . 15955 1 584 . 1 1 196 196 GLY CA C 13 47.9 0.2 . 1 . . . . 196 GLY CA . 15955 1 585 . 1 1 196 196 GLY N N 15 106.9 0.2 . 1 . . . . 196 GLY N . 15955 1 586 . 1 1 197 197 TRP C C 13 176.8 0.2 . 1 . . . . 197 TRP C . 15955 1 587 . 1 1 197 197 TRP CA C 13 57.8 0.2 . 1 . . . . 197 TRP CA . 15955 1 588 . 1 1 197 197 TRP N N 15 119.0 0.2 . 1 . . . . 197 TRP N . 15955 1 589 . 1 1 198 198 ALA C C 13 177.1 0.2 . 1 . . . . 198 ALA C . 15955 1 590 . 1 1 198 198 ALA CA C 13 54.4 0.2 . 1 . . . . 198 ALA CA . 15955 1 591 . 1 1 198 198 ALA CB C 13 18.1 0.2 . 1 . . . . 198 ALA CB . 15955 1 592 . 1 1 198 198 ALA N N 15 118.8 0.2 . 1 . . . . 198 ALA N . 15955 1 593 . 1 1 199 199 ILE C C 13 175.1 0.2 . 1 . . . . 199 ILE C . 15955 1 594 . 1 1 199 199 ILE CA C 13 62.1 0.2 . 1 . . . . 199 ILE CA . 15955 1 595 . 1 1 199 199 ILE CB C 13 38.1 0.2 . 1 . . . . 199 ILE CB . 15955 1 596 . 1 1 199 199 ILE N N 15 110.7 0.2 . 1 . . . . 199 ILE N . 15955 1 597 . 1 1 201 201 PRO C C 13 179.3 0.2 . 1 . . . . 201 PRO C . 15955 1 598 . 1 1 201 201 PRO CA C 13 65.7 0.2 . 1 . . . . 201 PRO CA . 15955 1 599 . 1 1 201 201 PRO CB C 13 30.4 0.2 . 1 . . . . 201 PRO CB . 15955 1 600 . 1 1 201 201 PRO CD C 13 49.3 0.2 . 1 . . . . 201 PRO CD . 15955 1 601 . 1 1 201 201 PRO CG C 13 27.4 0.2 . 1 . . . . 201 PRO CG . 15955 1 602 . 1 1 201 201 PRO N N 15 135.1 0.2 . 1 . . . . 201 PRO N . 15955 1 603 . 1 1 202 202 VAL C C 13 178.0 0.2 . 1 . . . . 202 VAL C . 15955 1 604 . 1 1 202 202 VAL CA C 13 67.9 0.2 . 1 . . . . 202 VAL CA . 15955 1 605 . 1 1 202 202 VAL CB C 13 31.2 0.2 . 1 . . . . 202 VAL CB . 15955 1 606 . 1 1 202 202 VAL CG1 C 13 23.7 0.2 . 1 . . . . 202 VAL CG1 . 15955 1 607 . 1 1 202 202 VAL CG2 C 13 21.3 0.2 . 1 . . . . 202 VAL CG2 . 15955 1 608 . 1 1 202 202 VAL N N 15 118.2 0.2 . 1 . . . . 202 VAL N . 15955 1 609 . 1 1 203 203 GLY C C 13 177.5 0.2 . 1 . . . . 203 GLY C . 15955 1 610 . 1 1 203 203 GLY CA C 13 48.1 0.2 . 1 . . . . 203 GLY CA . 15955 1 611 . 1 1 203 203 GLY N N 15 112.1 0.2 . 1 . . . . 203 GLY N . 15955 1 612 . 1 1 204 204 TYR C C 13 178.0 0.2 . 1 . . . . 204 TYR C . 15955 1 613 . 1 1 204 204 TYR CA C 13 58.2 0.2 . 1 . . . . 204 TYR CA . 15955 1 614 . 1 1 204 204 TYR CB C 13 41.7 0.2 . 1 . . . . 204 TYR CB . 15955 1 615 . 1 1 205 205 PHE C C 13 178.3 0.2 . 1 . . . . 205 PHE C . 15955 1 616 . 1 1 205 205 PHE CA C 13 58.7 0.2 . 1 . . . . 205 PHE CA . 15955 1 617 . 1 1 205 205 PHE CB C 13 36.3 0.2 . 1 . . . . 205 PHE CB . 15955 1 618 . 1 1 205 205 PHE N N 15 118.2 0.2 . 1 . . . . 205 PHE N . 15955 1 619 . 1 1 206 206 THR C C 13 175.7 0.2 . 1 . . . . 206 THR C . 15955 1 620 . 1 1 206 206 THR CA C 13 62.1 0.2 . 1 . . . . 206 THR CA . 15955 1 621 . 1 1 206 206 THR CB C 13 72.5 0.2 . 1 . . . . 206 THR CB . 15955 1 622 . 1 1 206 206 THR CG2 C 13 21.6 0.2 . 1 . . . . 206 THR CG2 . 15955 1 623 . 1 1 206 206 THR N N 15 105.2 0.2 . 1 . . . . 206 THR N . 15955 1 624 . 1 1 207 207 GLY C C 13 171.4 0.2 . 1 . . . . 207 GLY C . 15955 1 625 . 1 1 207 207 GLY CA C 13 45.5 0.2 . 1 . . . . 207 GLY CA . 15955 1 626 . 1 1 207 207 GLY N N 15 112.2 0.2 . 1 . . . . 207 GLY N . 15955 1 627 . 1 1 208 208 TYR C C 13 174.6 0.2 . 1 . . . . 208 TYR C . 15955 1 628 . 1 1 208 208 TYR CA C 13 51.8 0.2 . 1 . . . . 208 TYR CA . 15955 1 629 . 1 1 208 208 TYR N N 15 117.9 0.2 . 1 . . . . 208 TYR N . 15955 1 630 . 1 1 224 224 ASN C C 13 177.2 0.2 . 1 . . . . 224 ASN C . 15955 1 631 . 1 1 224 224 ASN CA C 13 55.0 0.2 . 1 . . . . 224 ASN CA . 15955 1 632 . 1 1 224 224 ASN CB C 13 36.5 0.2 . 1 . . . . 224 ASN CB . 15955 1 633 . 1 1 224 224 ASN CG C 13 173.6 0.2 . 1 . . . . 224 ASN CG . 15955 1 634 . 1 1 224 224 ASN N N 15 120.1 0.2 . 1 . . . . 224 ASN N . 15955 1 635 . 1 1 224 224 ASN ND2 N 15 99.4 0.2 . 1 . . . . 224 ASN ND2 . 15955 1 636 . 1 1 225 225 LEU C C 13 179.8 0.2 . 1 . . . . 225 LEU C . 15955 1 637 . 1 1 225 225 LEU CA C 13 57.2 0.2 . 1 . . . . 225 LEU CA . 15955 1 638 . 1 1 225 225 LEU CB C 13 41.2 0.2 . 1 . . . . 225 LEU CB . 15955 1 639 . 1 1 225 225 LEU CD2 C 13 21.8 0.2 . 1 . . . . 225 LEU CD2 . 15955 1 640 . 1 1 225 225 LEU CG C 13 26.6 0.2 . 1 . . . . 225 LEU CG . 15955 1 641 . 1 1 225 225 LEU N N 15 115.9 0.2 . 1 . . . . 225 LEU N . 15955 1 642 . 1 1 226 226 ALA C C 13 180.0 0.2 . 1 . . . . 226 ALA C . 15955 1 643 . 1 1 226 226 ALA CA C 13 54.9 0.2 . 1 . . . . 226 ALA CA . 15955 1 644 . 1 1 226 226 ALA CB C 13 18.4 0.2 . 1 . . . . 226 ALA CB . 15955 1 645 . 1 1 226 226 ALA N N 15 119.4 0.2 . 1 . . . . 226 ALA N . 15955 1 646 . 1 1 227 227 ASP C C 13 180.9 0.2 . 1 . . . . 227 ASP C . 15955 1 647 . 1 1 227 227 ASP CA C 13 58.3 0.2 . 1 . . . . 227 ASP CA . 15955 1 648 . 1 1 227 227 ASP CB C 13 40.7 0.2 . 1 . . . . 227 ASP CB . 15955 1 649 . 1 1 227 227 ASP CG C 13 178.1 0.2 . 1 . . . . 227 ASP CG . 15955 1 650 . 1 1 227 227 ASP N N 15 119.0 0.2 . 1 . . . . 227 ASP N . 15955 1 651 . 1 1 228 228 PHE C C 13 176.6 0.2 . 1 . . . . 228 PHE C . 15955 1 652 . 1 1 228 228 PHE CA C 13 63.2 0.2 . 1 . . . . 228 PHE CA . 15955 1 653 . 1 1 228 228 PHE CB C 13 38.3 0.2 . 1 . . . . 228 PHE CB . 15955 1 654 . 1 1 228 228 PHE N N 15 119.8 0.2 . 1 . . . . 228 PHE N . 15955 1 655 . 1 1 229 229 VAL C C 13 176.2 0.2 . 1 . . . . 229 VAL C . 15955 1 656 . 1 1 229 229 VAL CA C 13 64.4 0.2 . 1 . . . . 229 VAL CA . 15955 1 657 . 1 1 229 229 VAL CB C 13 33.5 0.2 . 1 . . . . 229 VAL CB . 15955 1 658 . 1 1 229 229 VAL CG1 C 13 22.5 0.2 . 1 . . . . 229 VAL CG1 . 15955 1 659 . 1 1 229 229 VAL CG2 C 13 21.4 0.2 . 1 . . . . 229 VAL CG2 . 15955 1 660 . 1 1 229 229 VAL N N 15 116.9 0.2 . 1 . . . . 229 VAL N . 15955 1 661 . 1 1 230 230 ASN C C 13 175.5 0.2 . 1 . . . . 230 ASN C . 15955 1 662 . 1 1 230 230 ASN CA C 13 55.0 0.2 . 1 . . . . 230 ASN CA . 15955 1 663 . 1 1 230 230 ASN CB C 13 38.7 0.2 . 1 . . . . 230 ASN CB . 15955 1 664 . 1 1 230 230 ASN CG C 13 171.2 0.2 . 1 . . . . 230 ASN CG . 15955 1 665 . 1 1 230 230 ASN N N 15 114.1 0.2 . 1 . . . . 230 ASN N . 15955 1 666 . 1 1 230 230 ASN ND2 N 15 108.3 0.2 . 1 . . . . 230 ASN ND2 . 15955 1 667 . 1 1 231 231 LYS C C 13 176.6 0.2 . 1 . . . . 231 LYS C . 15955 1 668 . 1 1 231 231 LYS CA C 13 59.3 0.2 . 1 . . . . 231 LYS CA . 15955 1 669 . 1 1 231 231 LYS CB C 13 36.1 0.2 . 1 . . . . 231 LYS CB . 15955 1 670 . 1 1 231 231 LYS CD C 13 30.4 0.2 . 1 . . . . 231 LYS CD . 15955 1 671 . 1 1 231 231 LYS CG C 13 29.0 0.2 . 1 . . . . 231 LYS CG . 15955 1 672 . 1 1 231 231 LYS N N 15 112.8 0.2 . 1 . . . . 231 LYS N . 15955 1 673 . 1 1 232 232 ILE C C 13 176.5 0.2 . 1 . . . . 232 ILE C . 15955 1 674 . 1 1 232 232 ILE CA C 13 67.5 0.2 . 1 . . . . 232 ILE CA . 15955 1 675 . 1 1 232 232 ILE CB C 13 37.1 0.2 . 1 . . . . 232 ILE CB . 15955 1 676 . 1 1 232 232 ILE CD1 C 13 13.7 0.2 . 1 . . . . 232 ILE CD1 . 15955 1 677 . 1 1 232 232 ILE CG1 C 13 28.8 0.2 . 1 . . . . 232 ILE CG1 . 15955 1 678 . 1 1 232 232 ILE CG2 C 13 16.2 0.2 . 1 . . . . 232 ILE CG2 . 15955 1 679 . 1 1 232 232 ILE N N 15 119.4 0.2 . 1 . . . . 232 ILE N . 15955 1 680 . 1 1 233 233 LEU C C 13 177.6 0.2 . 1 . . . . 233 LEU C . 15955 1 681 . 1 1 233 233 LEU CA C 13 58.9 0.2 . 1 . . . . 233 LEU CA . 15955 1 682 . 1 1 233 233 LEU CB C 13 41.4 0.2 . 1 . . . . 233 LEU CB . 15955 1 683 . 1 1 233 233 LEU CD1 C 13 27.4 0.2 . 1 . . . . 233 LEU CD1 . 15955 1 684 . 1 1 233 233 LEU CD2 C 13 26.4 0.2 . 1 . . . . 233 LEU CD2 . 15955 1 685 . 1 1 233 233 LEU N N 15 119.1 0.2 . 1 . . . . 233 LEU N . 15955 1 686 . 1 1 234 234 PHE C C 13 175.6 0.2 . 1 . . . . 234 PHE C . 15955 1 687 . 1 1 234 234 PHE CA C 13 62.7 0.2 . 1 . . . . 234 PHE CA . 15955 1 688 . 1 1 234 234 PHE CB C 13 40.8 0.2 . 1 . . . . 234 PHE CB . 15955 1 689 . 1 1 234 234 PHE N N 15 115.2 0.2 . 1 . . . . 234 PHE N . 15955 1 690 . 1 1 235 235 GLY C C 13 176.4 0.2 . 1 . . . . 235 GLY C . 15955 1 691 . 1 1 235 235 GLY CA C 13 47.6 0.2 . 1 . . . . 235 GLY CA . 15955 1 692 . 1 1 235 235 GLY N N 15 100.8 0.2 . 1 . . . . 235 GLY N . 15955 1 693 . 1 1 236 236 LEU C C 13 179.3 0.2 . 1 . . . . 236 LEU C . 15955 1 694 . 1 1 236 236 LEU CA C 13 58.5 0.2 . 1 . . . . 236 LEU CA . 15955 1 695 . 1 1 236 236 LEU CB C 13 42.2 0.2 . 1 . . . . 236 LEU CB . 15955 1 696 . 1 1 236 236 LEU CD1 C 13 26.6 0.2 . 1 . . . . 236 LEU CD1 . 15955 1 697 . 1 1 236 236 LEU CD2 C 13 24.0 0.2 . 1 . . . . 236 LEU CD2 . 15955 1 698 . 1 1 236 236 LEU CG C 13 26.9 0.2 . 1 . . . . 236 LEU CG . 15955 1 699 . 1 1 236 236 LEU N N 15 123.6 0.2 . 1 . . . . 236 LEU N . 15955 1 700 . 1 1 237 237 ILE C C 13 178.7 0.2 . 1 . . . . 237 ILE C . 15955 1 701 . 1 1 237 237 ILE CA C 13 64.5 0.2 . 1 . . . . 237 ILE CA . 15955 1 702 . 1 1 237 237 ILE CB C 13 37.0 0.2 . 1 . . . . 237 ILE CB . 15955 1 703 . 1 1 237 237 ILE CG1 C 13 28.4 0.2 . 1 . . . . 237 ILE CG1 . 15955 1 704 . 1 1 237 237 ILE CG2 C 13 17.8 0.2 . 1 . . . . 237 ILE CG2 . 15955 1 705 . 1 1 237 237 ILE N N 15 121.5 0.2 . 1 . . . . 237 ILE N . 15955 1 706 . 1 1 238 238 ILE C C 13 176.5 0.2 . 1 . . . . 238 ILE C . 15955 1 707 . 1 1 238 238 ILE CA C 13 65.1 0.2 . 1 . . . . 238 ILE CA . 15955 1 708 . 1 1 238 238 ILE CB C 13 37.4 0.2 . 1 . . . . 238 ILE CB . 15955 1 709 . 1 1 238 238 ILE CD1 C 13 14.8 0.2 . 1 . . . . 238 ILE CD1 . 15955 1 710 . 1 1 238 238 ILE CG1 C 13 29.5 0.2 . 1 . . . . 238 ILE CG1 . 15955 1 711 . 1 1 238 238 ILE CG2 C 13 17.1 0.2 . 1 . . . . 238 ILE CG2 . 15955 1 712 . 1 1 238 238 ILE N N 15 122.4 0.2 . 1 . . . . 238 ILE N . 15955 1 713 . 1 1 239 239 TRP C C 13 175.5 0.2 . 1 . . . . 239 TRP C . 15955 1 714 . 1 1 239 239 TRP CA C 13 62.6 0.2 . 1 . . . . 239 TRP CA . 15955 1 715 . 1 1 239 239 TRP CB C 13 28.3 0.2 . 1 . . . . 239 TRP CB . 15955 1 716 . 1 1 239 239 TRP CG C 13 110.7 0.2 . 1 . . . . 239 TRP CG . 15955 1 717 . 1 1 239 239 TRP N N 15 119.8 0.2 . 1 . . . . 239 TRP N . 15955 1 718 . 1 1 240 240 ASN C C 13 176.7 0.2 . 1 . . . . 240 ASN C . 15955 1 719 . 1 1 240 240 ASN CA C 13 57.1 0.2 . 1 . . . . 240 ASN CA . 15955 1 720 . 1 1 240 240 ASN CB C 13 40.1 0.2 . 1 . . . . 240 ASN CB . 15955 1 721 . 1 1 240 240 ASN CG C 13 174.7 0.2 . 1 . . . . 240 ASN CG . 15955 1 722 . 1 1 240 240 ASN N N 15 114.4 0.2 . 1 . . . . 240 ASN N . 15955 1 723 . 1 1 241 241 VAL C C 13 174.6 0.2 . 1 . . . . 241 VAL C . 15955 1 724 . 1 1 241 241 VAL CA C 13 64.5 0.2 . 1 . . . . 241 VAL CA . 15955 1 725 . 1 1 241 241 VAL CB C 13 30.7 0.2 . 1 . . . . 241 VAL CB . 15955 1 726 . 1 1 241 241 VAL CG1 C 13 25.2 0.2 . 1 . . . . 241 VAL CG1 . 15955 1 727 . 1 1 241 241 VAL CG2 C 13 19.5 0.2 . 1 . . . . 241 VAL CG2 . 15955 1 728 . 1 1 241 241 VAL N N 15 117.7 0.2 . 1 . . . . 241 VAL N . 15955 1 729 . 1 1 242 242 ALA C C 13 180.6 0.2 . 1 . . . . 242 ALA C . 15955 1 730 . 1 1 242 242 ALA CA C 13 54.3 0.2 . 1 . . . . 242 ALA CA . 15955 1 731 . 1 1 242 242 ALA CB C 13 19.7 0.2 . 1 . . . . 242 ALA CB . 15955 1 732 . 1 1 242 242 ALA N N 15 126.2 0.2 . 1 . . . . 242 ALA N . 15955 1 733 . 1 1 248 248 ASN C C 13 173.7 0.2 . 1 . . . . 248 ASN C . 15955 1 734 . 1 1 248 248 ASN CA C 13 52.9 0.2 . 1 . . . . 248 ASN CA . 15955 1 735 . 1 1 248 248 ASN CB C 13 38.0 0.2 . 1 . . . . 248 ASN CB . 15955 1 736 . 1 1 248 248 ASN N N 15 114.3 0.2 . 1 . . . . 248 ASN N . 15955 1 737 . 1 1 249 249 ALA C C 13 177.2 0.2 . 1 . . . . 249 ALA C . 15955 1 738 . 1 1 249 249 ALA CA C 13 53.4 0.2 . 1 . . . . 249 ALA CA . 15955 1 739 . 1 1 249 249 ALA CB C 13 18.7 0.2 . 1 . . . . 249 ALA CB . 15955 1 740 . 1 1 249 249 ALA N N 15 125.7 0.2 . 1 . . . . 249 ALA N . 15955 1 stop_ save_