data_6429 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6429 _Entry.Title ; Backbone 1H, 15N and 13C chemical shift assignments for human retinoid X receptor ligand-binding domain with and without 9-cis retinoic acid ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-10 _Entry.Accession_date 2004-12-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jianyun Lu . . . 6429 2 David Cistola . P. . 6429 3 Li Ellen . . . 6429 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6429 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 612 6429 '1H chemical shifts' 192 6429 '15N chemical shifts' 192 6429 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-04-19 . update author 'addition of chemical shifts' 6429 2 . . 2006-04-17 . original author 'original release' 6429 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6449 'complex with 9-cis retinoic acid' 6429 stop_ save_ ############### # Citations # ############### save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 6429 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16460010 _Citation.Full_citation . _Citation.Title ; Analysis of ligand binding and protein dynamics of human retinoid x receptor alpha ligand-binding domain by nuclear magnetic resonance. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 6 _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 1629 _Citation.Page_last 1639 _Citation.Year 2006 _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 Jianyun Lu . . . 6429 1 2 David Cistola . P. . 6429 1 3 Ellen Li . . . 6429 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6429 1 stop_ save_ save_Citation_2 _Citation.Sf_category citations _Citation.Sf_framecode Citation_2 _Citation.Entry_ID 6429 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7760929 _Citation.Full_citation . _Citation.Title 'Crystal structure of the ligand-binding domain of the human nuclear receptor RXR-alpha' _Citation.Status . _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 375 _Citation.Journal_issue 6530 _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 377 _Citation.Page_last 382 _Citation.Year 1995 _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 William Bourguet . . . 6429 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'X-ray structure' 6429 2 stop_ save_ save_Citation_3 _Citation.Sf_category citations _Citation.Sf_framecode Citation_3 _Citation.Entry_ID 6429 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10835357 _Citation.Full_citation . _Citation.Title ; Crystal structure of the human RXRalpha ligand-binding domain bound to its natural ligand: 9-cis retinoic acid ; _Citation.Status . _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 11 _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 2592 _Citation.Page_last 2601 _Citation.Year 2000 _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 Pascal Egea . F . 6429 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'X-ray structure' 6429 3 stop_ save_ save_Citation_4 _Citation.Sf_category citations _Citation.Sf_framecode Citation_4 _Citation.Entry_ID 6429 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10764590 _Citation.Full_citation . _Citation.Title ; Ligand-induced Stabilization of PPARgamma Monitored by NMR Spectroscopy: Implications for Nuclear Receptor Activation ; _Citation.Status . _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 298 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 187 _Citation.Page_last 194 _Citation.Year 2000 _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 Bruce Johnson . A . 6429 4 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6429 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_RXRalpha_LBD_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_RXRalpha_LBD_1 _Assembly.Entry_ID 6429 _Assembly.ID 1 _Assembly.Name 'RXRalpha ligand-binding domain dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6429 1 stop_ 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 'retinoid X receptor alpha ligand-binding domain, chain 1' 1 $RXRalpha_LBD_1 . . . native . . . . . 6429 1 2 'retinoid X receptor alpha ligand-binding domain, chain 2' 1 $RXRalpha_LBD_1 . . . native . . . . . 6429 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'RXRalpha ligand-binding domain dimer' system 6429 1 'RXRalpha ligand-binding domain dimer' abbreviation 6429 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RXRalpha_LBD_1 _Entity.Sf_category entity _Entity.Sf_framecode RXRalpha_LBD_1 _Entity.Entry_ID 6429 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RXRalpha ligand-binding domain' _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 ; TSSANEDMPVERILEAELAV EPKTETYVEANMGLNPSSPN DPVTNICQAADKQLFTLVEW AKRIPHFSELPLDDQVILLR AGWNELLIASFSHRSIAVKD GILLATGLHVHRNSAHSAGV GAIFDRVLTELVSKMRDMQM DKTELGCLRAIVLFNPDSKG LSNPAEVEALREKVYASLEA YCKHKYPEQPGRFAKLLLRL PALRSIGLKCLEHLFFFKLI GDTPIDTFLMEMLEAPHQMT ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 240 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 6449 . RXRalpha_LBD_1 . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 2 no PDB 1DKF . "Crystal Structure Of A Heterodimeric Complex Of Rar And Rxr Ligand-Binding Domains" . . . . . 97.08 233 99.14 99.57 3.95e-168 . . . . 6429 1 3 no PDB 1FBY . "Crystal Structure Of The Human Rxr Alpha Ligand Binding Domain Bound To 9-Cis Retinoic Acid" . . . . . 99.58 239 100.00 100.00 5.02e-175 . . . . 6429 1 4 no PDB 1FM6 . "The 2.1 Angstrom Resolution Crystal Structure Of The Heterodimer Of The Human Rxralpha And Ppargamma Ligand Binding Domains Res" . . . . . 99.17 238 100.00 100.00 2.59e-174 . . . . 6429 1 5 no PDB 1FM9 . "The 2.1 Angstrom Resolution Crystal Structure Of The Heterodimer Of The Human Rxralpha And Ppargamma Ligand Binding Domains Res" . . . . . 99.17 238 100.00 100.00 2.59e-174 . . . . 6429 1 6 no PDB 1G1U . "The 2.5 Angstrom Resolution Crystal Structure Of The Rxralpha Ligand Binding Domain In Tetramer In The Absence Of Ligand" . . . . . 99.17 238 100.00 100.00 2.59e-174 . . . . 6429 1 7 no PDB 1G5Y . "The 2.0 Angstrom Resolution Crystal Structure Of The Rxralpha Ligand Binding Domain Tetramer In The Presence Of A Non-Activatin" . . . . . 99.17 238 100.00 100.00 2.59e-174 . . . . 6429 1 8 no PDB 1K74 . "The 2.3 Angstrom Resolution Crystal Structure Of The Heterodimer Of The Human Ppargamma And Rxralpha Ligand Binding Domains Res" . . . . . 99.17 238 100.00 100.00 2.59e-174 . . . . 6429 1 9 no PDB 1LBD . "Ligand-Binding Domain Of The Human Nuclear Receptor Rxr-Alpha" . . . . . 100.00 282 100.00 100.00 1.65e-175 . . . . 6429 1 10 no PDB 1MV9 . "Crystal Structure Of The Human Rxr Alpha Ligand Binding Domain Bound To The Eicosanoid Dha (Docosa Hexaenoic Acid) And A Coacti" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 11 no PDB 1MVC . "Crystal Structure Of The Human Rxr Alpha Ligand Binding Domain Bound To The Synthetic Agonist Compound Bms 649 And A Coactivato" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 12 no PDB 1MZN . "Crystal Structure At 1.9 Angstroems Resolution Of The Homodimer Of Human Rxr Alpha Ligand Binding Domain Bound To The Synthetic" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 13 no PDB 1RDT . "Crystal Structure Of A New Rexinoid Bound To The Rxralpha Ligand Binding Doamin In The RxralphaPPARGAMMA HETERODIMER" . . . . . 99.58 242 99.58 99.58 2.20e-174 . . . . 6429 1 14 no PDB 1XDK . "Crystal Structure Of The RarbetaRXRALPHA LIGAND BINDING Domain Heterodimer In Complex With 9-Cis Retinoic Acid And A Fragment O" . . . . . 99.17 238 99.16 99.58 8.21e-173 . . . . 6429 1 15 no PDB 1XLS . "Crystal Structure Of The Mouse CarRXR LBD HETERODIMER Bound To Tcpobop And 9cra And A Tif2 Peptide Containg The Third Lxxll Mot" . . . . . 96.67 232 100.00 100.00 3.18e-169 . . . . 6429 1 16 no PDB 1XV9 . "Crystal Structure Of CarRXR HETERODIMER BOUND WITH SRC1 Peptide, Fatty Acid, And 5b-Pregnane-3,20-Dione." . . . . . 98.33 236 100.00 100.00 4.93e-173 . . . . 6429 1 17 no PDB 1XVP . "Crystal Structure Of CarRXR HETERODIMER BOUND WITH SRC1 Peptide, Fatty Acid And Citco" . . . . . 98.33 236 100.00 100.00 4.93e-173 . . . . 6429 1 18 no PDB 2ACL . "Liver X-Receptor Alpha Ligand Binding Domain With Sb313987" . . . . . 99.17 238 100.00 100.00 2.59e-174 . . . . 6429 1 19 no PDB 2P1T . "Crystal Structure Of The Ligand Binding Domain Of The Retinoid X Receptor Alpha In Complex With 3-(2'-Methoxy)- Tetrahydronapht" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 20 no PDB 2P1U . "Crystal Structure Of The Ligand Binding Domain Of The Retinoid X Receptor Alpha In Complex With 3-(2'-Ethoxy)- Tetrahydronaphty" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 21 no PDB 2P1V . "Crystal Structure Of The Ligand Binding Domain Of The Retinoid X Receptor Alpha In Complex With 3-(2'-Propoxy)- Tetrahydronapht" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 22 no PDB 2ZXZ . "Crystal Structure Of The Human Rxr Alpha Ligand Binding Domain Bound To A Synthetic Agonist Compound And A Coactivator Peptide" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 23 no PDB 2ZY0 . "Crystal Structure Of The Human Rxr Alpha Ligand Binding Domain Bound To A Synthetic Agonist Compound And A Coactivator Peptide" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 24 no PDB 3A9E . "Crystal Structure Of A Mixed Agonist-bound Rar-alpha And Antagonist- Bound Rxr-alpha Heterodimer Ligand Binding Domains" . . . . . 100.00 240 99.17 99.58 2.21e-174 . . . . 6429 1 25 no PDB 3DZU . "Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex On Dna Bound With Bvt.13, 9-Cis Retinoic Acid And Ncoa2 Peptide" . . . . . 100.00 467 100.00 100.00 2.74e-172 . . . . 6429 1 26 no PDB 3DZY . "Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex On Dna Bound With Rosiglitazone, 9-Cis Retinoic Acid And Ncoa2 Peptide" . . . . . 100.00 467 100.00 100.00 2.74e-172 . . . . 6429 1 27 no PDB 3E00 . "Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex On Dna Bound With Gw9662, 9-Cis Retinoic Acid And Ncoa2 Peptide" . . . . . 100.00 467 100.00 100.00 2.74e-172 . . . . 6429 1 28 no PDB 3E94 . "Crystal Structure Of Rxralpha Ligand Binding Domain In Complex With Tributyltin And A Coactivator Fragment" . . . . . 100.00 244 100.00 100.00 6.97e-176 . . . . 6429 1 29 no PDB 3FAL . "Humanrxr Alpha & Mouse Lxr Alpha Complexed With Retenoic Acid And Gsk2186" . . . . . 99.58 242 99.58 99.58 2.20e-174 . . . . 6429 1 30 no PDB 3FC6 . "Hrxralpha & Mlxralpha With An Indole Pharmacophore, Sb786875" . . . . . 99.58 242 99.58 99.58 2.20e-174 . . . . 6429 1 31 no PDB 3FUG . "Crystal Structure Of The Retinoid X Receptor Ligand Binding Domain Bound To The Synthetic Agonist 3-[4-Hydroxy-3-(3,5, 5,8,8-Pe" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 32 no PDB 3H0A . "Crystal Structure Of Peroxisome Proliferator-activated Receptor Gamma (pparg) And Retinoic Acid Receptor Alpha (rxra) In Comple" . . . . . 95.00 228 100.00 100.00 5.01e-166 . . . . 6429 1 33 no PDB 3KWY . "Crystal Structure Of Rxralpha Ligand Binding Domain In Complex With Triphenyltin And A Coactivator Fragment" . . . . . 100.00 244 100.00 100.00 6.97e-176 . . . . 6429 1 34 no PDB 3NSP . "Crystal Structure Of Tetrameric Rxralpha-Lbd" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 35 no PDB 3NSQ . "Crystal Structure Of Tetrameric Rxralpha-Lbd Complexed With Antagonist Danthron" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 36 no PDB 3OAP . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 9-cis Retinoic Acid And The Coactivator" . . . . . 96.25 231 100.00 100.00 2.43e-168 . . . . 6429 1 37 no PDB 3OZJ . "Crystal Structure Of Human Retinoic X Receptor Alpha Complexed With Bigelovin And Coactivator Src-1" . . . . . 99.17 238 100.00 100.00 2.59e-174 . . . . 6429 1 38 no PDB 3PCU . "Crystal Structure Of Human Retinoic X Receptor Alpha Ligand-Binding Domain Complexed With Lx0278 And Src1 Peptide" . . . . . 95.83 230 100.00 100.00 1.12e-167 . . . . 6429 1 39 no PDB 3R29 . "Crystal Structure Of Rxralpha Ligand-Binding Domain Complexed With Corepressor Smrt2" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 40 no PDB 3R2A . "Crystal Structure Of Rxralpha Ligand-Binding Domain Complexed With Corepressor Smrt2 And Antagonist Rhein" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 41 no PDB 3R5M . "Crystal Structure Of Rxralphalbd Complexed With The Agonist Magnolol" . . . . . 100.00 240 100.00 100.00 8.11e-176 . . . . 6429 1 42 no PDB 3UVV . "Crystal Structure Of The Ligand Binding Domains Of The Thyroid Receptor:retinoid X Receptor Complexed With 3,3',5 Triiodo-L- Th" . . . . . 99.58 244 99.58 99.58 1.80e-174 . . . . 6429 1 43 no PDB 4J5W . "Crystal Structure Of The Apo-pxr/rxralpha Lbd Heterotetramer Complex" . . . . . 98.33 264 100.00 100.00 8.75e-173 . . . . 6429 1 44 no PDB 4J5X . "Crystal Structure Of The Sr12813-bound Pxr/rxralpha Lbd Heterotetramer Complex" . . . . . 98.33 264 100.00 100.00 8.75e-173 . . . . 6429 1 45 no PDB 4K4J . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 9cuab30 And The Coactivator Peptide Gri" . . . . . 96.25 231 100.00 100.00 2.43e-168 . . . . 6429 1 46 no PDB 4K6I . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With Targretin And The Coactivator Peptide G" . . . . . 96.25 231 100.00 100.00 2.43e-168 . . . . 6429 1 47 no PDB 4M8E . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With (s) 4-methyl 9cuab30 Coactivator Peptid" . . . . . 96.25 231 100.00 100.00 2.43e-168 . . . . 6429 1 48 no PDB 4M8H . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With (r)4-methyl 9cuab30 And Coactivator Pep" . . . . . 96.25 231 100.00 100.00 2.43e-168 . . . . 6429 1 49 no PDB 4N5G . "Crystal Structure Of Rxra Lbd Complexed With A Synthetic Modulator K8012" . . . . . 100.00 244 100.00 100.00 6.97e-176 . . . . 6429 1 50 no PDB 4N8R . "Crystal Structure Of Rxra Lbd Complexed With A Synthetic Modulator K- 8008" . . . . . 100.00 244 100.00 100.00 6.97e-176 . . . . 6429 1 51 no PDB 4NQA . "Crystal Structure Of Liganded Hrxr-alpha/hlxr-beta Heterodimer On Dna" . . . . . 100.00 365 100.00 100.00 3.44e-174 . . . . 6429 1 52 no PDB 4OC7 . "Retinoic Acid Receptor Alpha In Complex With (e)-3-(3'-allyl-6- Hydroxy-[1,1'-biphenyl]-3-yl)acrylic Acid And A Fragment Of The" . . . . . 100.00 254 100.00 100.00 5.55e-176 . . . . 6429 1 53 no PDB 4POH . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 8-methyl Uab30 And The Coactivator Pept" . . . . . 96.25 231 100.00 100.00 2.43e-168 . . . . 6429 1 54 no PDB 4POJ . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 7-methyl Uab30 And The Coactivator Pept" . . . . . 96.25 231 100.00 100.00 2.43e-168 . . . . 6429 1 55 no PDB 4PP3 . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 6-methyl Uab30 And The Coactivator Pept" . . . . . 96.25 231 100.00 100.00 2.43e-168 . . . . 6429 1 56 no PDB 4PP5 . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 5-methyl Uab30 And The Coactivator Pept" . . . . . 96.25 231 100.00 100.00 2.43e-168 . . . . 6429 1 57 no DBJ BAE26004 . "unnamed protein product [Mus musculus]" . . . . . 100.00 467 99.17 99.58 8.14e-171 . . . . 6429 1 58 no DBJ BAE73032 . "hypothetical protein [Macaca fascicularis]" . . . . . 100.00 462 98.75 98.75 2.21e-170 . . . . 6429 1 59 no DBJ BAG54745 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 365 100.00 100.00 3.44e-174 . . . . 6429 1 60 no DBJ BAG72733 . "retinoid X receptor, alpha [synthetic construct]" . . . . . 100.00 462 100.00 100.00 1.35e-172 . . . . 6429 1 61 no DBJ BAH02296 . "retinoid X receptor, alpha [Homo sapiens]" . . . . . 100.00 462 100.00 100.00 1.35e-172 . . . . 6429 1 62 no EMBL CAA36982 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 462 100.00 100.00 1.35e-172 . . . . 6429 1 63 no EMBL CAA46962 . "retinoid X receptor-alpha [Mus musculus]" . . . . . 100.00 467 99.17 99.58 9.18e-171 . . . . 6429 1 64 no EMBL CAL25727 . "retinoid X receptor alpha [Rattus norvegicus]" . . . . . 100.00 467 99.17 99.58 5.26e-171 . . . . 6429 1 65 no EMBL CAL25728 . "retinoid X receptor alpha [Rattus norvegicus]" . . . . . 100.00 467 99.17 99.58 5.26e-171 . . . . 6429 1 66 no EMBL CAL36079 . "retinoid X receptor alpha [Rattus norvegicus]" . . . . . 100.00 467 99.17 99.58 5.26e-171 . . . . 6429 1 67 no GB AAA40080 . "retinoid X receptor alpha [Mus musculus]" . . . . . 100.00 467 99.17 99.58 9.18e-171 . . . . 6429 1 68 no GB AAA42093 . "retinoid X receptor alpha [Rattus norvegicus]" . . . . . 100.00 467 99.17 99.58 6.62e-171 . . . . 6429 1 69 no GB AAB36777 . "RXR alpha 2 [Mus musculus]" . . . . . 100.00 439 99.17 99.58 4.74e-171 . . . . 6429 1 70 no GB AAB36778 . "RXR alpha 3 [Mus musculus]" . . . . . 100.00 439 99.17 99.58 4.74e-171 . . . . 6429 1 71 no GB AAC95154 . "retinoic acid receptor RXR [Cloning vector pERV3]" . . . . . 100.00 479 100.00 100.00 2.39e-172 . . . . 6429 1 72 no PRF 1609194A . "retinoic acid receptor RXRalpha" . . . . . 100.00 462 100.00 100.00 1.35e-172 . . . . 6429 1 73 no REF NP_001277410 . "retinoic acid receptor RXR-alpha isoform 2 [Mus musculus]" . . . . . 100.00 439 99.17 99.58 4.74e-171 . . . . 6429 1 74 no REF NP_001277411 . "retinoic acid receptor RXR-alpha isoform 2 [Mus musculus]" . . . . . 100.00 439 99.17 99.58 4.74e-171 . . . . 6429 1 75 no REF NP_001278849 . "retinoic acid receptor RXR-alpha isoform b [Homo sapiens]" . . . . . 100.00 435 100.00 100.00 9.68e-173 . . . . 6429 1 76 no REF NP_001278850 . "retinoic acid receptor RXR-alpha isoform c [Homo sapiens]" . . . . . 100.00 365 100.00 100.00 3.44e-174 . . . . 6429 1 77 no REF NP_001291272 . "retinoid X receptor, alpha [Bos taurus]" . . . . . 100.00 439 98.75 100.00 3.53e-171 . . . . 6429 1 78 no SP P19793 . "RecName: Full=Retinoic acid receptor RXR-alpha; AltName: Full=Nuclear receptor subfamily 2 group B member 1; AltName: Full=Reti" . . . . . 100.00 462 100.00 100.00 1.35e-172 . . . . 6429 1 79 no SP P28700 . "RecName: Full=Retinoic acid receptor RXR-alpha; AltName: Full=Nuclear receptor subfamily 2 group B member 1; AltName: Full=Reti" . . . . . 100.00 467 99.17 99.58 9.18e-171 . . . . 6429 1 80 no SP Q05343 . "RecName: Full=Retinoic acid receptor RXR-alpha; AltName: Full=Nuclear receptor subfamily 2 group B member 1; AltName: Full=Reti" . . . . . 100.00 467 99.17 99.58 6.62e-171 . . . . 6429 1 81 no TPG DAA24096 . "TPA: retinoid X receptor, alpha [Bos taurus]" . . . . . 100.83 404 97.93 99.17 1.47e-169 . . . . 6429 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RXRalpha ligand-binding domain' common 6429 1 'RXRA LBD' variant 6429 1 'RXRA LBD' abbreviation 6429 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 1 223 THR . 6429 1 2 224 SER . 6429 1 3 225 SER . 6429 1 4 226 ALA . 6429 1 5 227 ASN . 6429 1 6 228 GLU . 6429 1 7 229 ASP . 6429 1 8 230 MET . 6429 1 9 231 PRO . 6429 1 10 232 VAL . 6429 1 11 233 GLU . 6429 1 12 234 ARG . 6429 1 13 235 ILE . 6429 1 14 236 LEU . 6429 1 15 237 GLU . 6429 1 16 238 ALA . 6429 1 17 239 GLU . 6429 1 18 240 LEU . 6429 1 19 241 ALA . 6429 1 20 242 VAL . 6429 1 21 243 GLU . 6429 1 22 244 PRO . 6429 1 23 245 LYS . 6429 1 24 246 THR . 6429 1 25 247 GLU . 6429 1 26 248 THR . 6429 1 27 249 TYR . 6429 1 28 250 VAL . 6429 1 29 251 GLU . 6429 1 30 252 ALA . 6429 1 31 253 ASN . 6429 1 32 254 MET . 6429 1 33 255 GLY . 6429 1 34 256 LEU . 6429 1 35 257 ASN . 6429 1 36 258 PRO . 6429 1 37 259 SER . 6429 1 38 260 SER . 6429 1 39 261 PRO . 6429 1 40 262 ASN . 6429 1 41 263 ASP . 6429 1 42 264 PRO . 6429 1 43 265 VAL . 6429 1 44 266 THR . 6429 1 45 267 ASN . 6429 1 46 268 ILE . 6429 1 47 269 CYS . 6429 1 48 270 GLN . 6429 1 49 271 ALA . 6429 1 50 272 ALA . 6429 1 51 273 ASP . 6429 1 52 274 LYS . 6429 1 53 275 GLN . 6429 1 54 276 LEU . 6429 1 55 277 PHE . 6429 1 56 278 THR . 6429 1 57 279 LEU . 6429 1 58 280 VAL . 6429 1 59 281 GLU . 6429 1 60 282 TRP . 6429 1 61 283 ALA . 6429 1 62 284 LYS . 6429 1 63 285 ARG . 6429 1 64 286 ILE . 6429 1 65 287 PRO . 6429 1 66 288 HIS . 6429 1 67 289 PHE . 6429 1 68 290 SER . 6429 1 69 291 GLU . 6429 1 70 292 LEU . 6429 1 71 293 PRO . 6429 1 72 294 LEU . 6429 1 73 295 ASP . 6429 1 74 296 ASP . 6429 1 75 297 GLN . 6429 1 76 298 VAL . 6429 1 77 299 ILE . 6429 1 78 300 LEU . 6429 1 79 301 LEU . 6429 1 80 302 ARG . 6429 1 81 303 ALA . 6429 1 82 304 GLY . 6429 1 83 305 TRP . 6429 1 84 306 ASN . 6429 1 85 307 GLU . 6429 1 86 308 LEU . 6429 1 87 309 LEU . 6429 1 88 310 ILE . 6429 1 89 311 ALA . 6429 1 90 312 SER . 6429 1 91 313 PHE . 6429 1 92 314 SER . 6429 1 93 315 HIS . 6429 1 94 316 ARG . 6429 1 95 317 SER . 6429 1 96 318 ILE . 6429 1 97 319 ALA . 6429 1 98 320 VAL . 6429 1 99 321 LYS . 6429 1 100 322 ASP . 6429 1 101 323 GLY . 6429 1 102 324 ILE . 6429 1 103 325 LEU . 6429 1 104 326 LEU . 6429 1 105 327 ALA . 6429 1 106 328 THR . 6429 1 107 329 GLY . 6429 1 108 330 LEU . 6429 1 109 331 HIS . 6429 1 110 332 VAL . 6429 1 111 333 HIS . 6429 1 112 334 ARG . 6429 1 113 335 ASN . 6429 1 114 336 SER . 6429 1 115 337 ALA . 6429 1 116 338 HIS . 6429 1 117 339 SER . 6429 1 118 340 ALA . 6429 1 119 341 GLY . 6429 1 120 342 VAL . 6429 1 121 343 GLY . 6429 1 122 344 ALA . 6429 1 123 345 ILE . 6429 1 124 346 PHE . 6429 1 125 347 ASP . 6429 1 126 348 ARG . 6429 1 127 349 VAL . 6429 1 128 350 LEU . 6429 1 129 351 THR . 6429 1 130 352 GLU . 6429 1 131 353 LEU . 6429 1 132 354 VAL . 6429 1 133 355 SER . 6429 1 134 356 LYS . 6429 1 135 357 MET . 6429 1 136 358 ARG . 6429 1 137 359 ASP . 6429 1 138 360 MET . 6429 1 139 361 GLN . 6429 1 140 362 MET . 6429 1 141 363 ASP . 6429 1 142 364 LYS . 6429 1 143 365 THR . 6429 1 144 366 GLU . 6429 1 145 367 LEU . 6429 1 146 368 GLY . 6429 1 147 369 CYS . 6429 1 148 370 LEU . 6429 1 149 371 ARG . 6429 1 150 372 ALA . 6429 1 151 373 ILE . 6429 1 152 374 VAL . 6429 1 153 375 LEU . 6429 1 154 376 PHE . 6429 1 155 377 ASN . 6429 1 156 378 PRO . 6429 1 157 379 ASP . 6429 1 158 380 SER . 6429 1 159 381 LYS . 6429 1 160 382 GLY . 6429 1 161 383 LEU . 6429 1 162 384 SER . 6429 1 163 385 ASN . 6429 1 164 386 PRO . 6429 1 165 387 ALA . 6429 1 166 388 GLU . 6429 1 167 389 VAL . 6429 1 168 390 GLU . 6429 1 169 391 ALA . 6429 1 170 392 LEU . 6429 1 171 393 ARG . 6429 1 172 394 GLU . 6429 1 173 395 LYS . 6429 1 174 396 VAL . 6429 1 175 397 TYR . 6429 1 176 398 ALA . 6429 1 177 399 SER . 6429 1 178 400 LEU . 6429 1 179 401 GLU . 6429 1 180 402 ALA . 6429 1 181 403 TYR . 6429 1 182 404 CYS . 6429 1 183 405 LYS . 6429 1 184 406 HIS . 6429 1 185 407 LYS . 6429 1 186 408 TYR . 6429 1 187 409 PRO . 6429 1 188 410 GLU . 6429 1 189 411 GLN . 6429 1 190 412 PRO . 6429 1 191 413 GLY . 6429 1 192 414 ARG . 6429 1 193 415 PHE . 6429 1 194 416 ALA . 6429 1 195 417 LYS . 6429 1 196 418 LEU . 6429 1 197 419 LEU . 6429 1 198 420 LEU . 6429 1 199 421 ARG . 6429 1 200 422 LEU . 6429 1 201 423 PRO . 6429 1 202 424 ALA . 6429 1 203 425 LEU . 6429 1 204 426 ARG . 6429 1 205 427 SER . 6429 1 206 428 ILE . 6429 1 207 429 GLY . 6429 1 208 430 LEU . 6429 1 209 431 LYS . 6429 1 210 432 CYS . 6429 1 211 433 LEU . 6429 1 212 434 GLU . 6429 1 213 435 HIS . 6429 1 214 436 LEU . 6429 1 215 437 PHE . 6429 1 216 438 PHE . 6429 1 217 439 PHE . 6429 1 218 440 LYS . 6429 1 219 441 LEU . 6429 1 220 442 ILE . 6429 1 221 443 GLY . 6429 1 222 444 ASP . 6429 1 223 445 THR . 6429 1 224 446 PRO . 6429 1 225 447 ILE . 6429 1 226 448 ASP . 6429 1 227 449 THR . 6429 1 228 450 PHE . 6429 1 229 451 LEU . 6429 1 230 452 MET . 6429 1 231 453 GLU . 6429 1 232 454 MET . 6429 1 233 455 LEU . 6429 1 234 456 GLU . 6429 1 235 457 ALA . 6429 1 236 458 PRO . 6429 1 237 459 HIS . 6429 1 238 460 GLN . 6429 1 239 461 MET . 6429 1 240 462 THR . 6429 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 . THR 1 1 6429 1 . SER 2 2 6429 1 . SER 3 3 6429 1 . ALA 4 4 6429 1 . ASN 5 5 6429 1 . GLU 6 6 6429 1 . ASP 7 7 6429 1 . MET 8 8 6429 1 . PRO 9 9 6429 1 . VAL 10 10 6429 1 . GLU 11 11 6429 1 . ARG 12 12 6429 1 . ILE 13 13 6429 1 . LEU 14 14 6429 1 . GLU 15 15 6429 1 . ALA 16 16 6429 1 . GLU 17 17 6429 1 . LEU 18 18 6429 1 . ALA 19 19 6429 1 . VAL 20 20 6429 1 . GLU 21 21 6429 1 . PRO 22 22 6429 1 . LYS 23 23 6429 1 . THR 24 24 6429 1 . GLU 25 25 6429 1 . THR 26 26 6429 1 . TYR 27 27 6429 1 . VAL 28 28 6429 1 . GLU 29 29 6429 1 . ALA 30 30 6429 1 . ASN 31 31 6429 1 . MET 32 32 6429 1 . GLY 33 33 6429 1 . LEU 34 34 6429 1 . ASN 35 35 6429 1 . PRO 36 36 6429 1 . SER 37 37 6429 1 . SER 38 38 6429 1 . PRO 39 39 6429 1 . ASN 40 40 6429 1 . ASP 41 41 6429 1 . PRO 42 42 6429 1 . VAL 43 43 6429 1 . THR 44 44 6429 1 . ASN 45 45 6429 1 . ILE 46 46 6429 1 . CYS 47 47 6429 1 . GLN 48 48 6429 1 . ALA 49 49 6429 1 . ALA 50 50 6429 1 . ASP 51 51 6429 1 . LYS 52 52 6429 1 . GLN 53 53 6429 1 . LEU 54 54 6429 1 . PHE 55 55 6429 1 . THR 56 56 6429 1 . LEU 57 57 6429 1 . VAL 58 58 6429 1 . GLU 59 59 6429 1 . TRP 60 60 6429 1 . ALA 61 61 6429 1 . LYS 62 62 6429 1 . ARG 63 63 6429 1 . ILE 64 64 6429 1 . PRO 65 65 6429 1 . HIS 66 66 6429 1 . PHE 67 67 6429 1 . SER 68 68 6429 1 . GLU 69 69 6429 1 . LEU 70 70 6429 1 . PRO 71 71 6429 1 . LEU 72 72 6429 1 . ASP 73 73 6429 1 . ASP 74 74 6429 1 . GLN 75 75 6429 1 . VAL 76 76 6429 1 . ILE 77 77 6429 1 . LEU 78 78 6429 1 . LEU 79 79 6429 1 . ARG 80 80 6429 1 . ALA 81 81 6429 1 . GLY 82 82 6429 1 . TRP 83 83 6429 1 . ASN 84 84 6429 1 . GLU 85 85 6429 1 . LEU 86 86 6429 1 . LEU 87 87 6429 1 . ILE 88 88 6429 1 . ALA 89 89 6429 1 . SER 90 90 6429 1 . PHE 91 91 6429 1 . SER 92 92 6429 1 . HIS 93 93 6429 1 . ARG 94 94 6429 1 . SER 95 95 6429 1 . ILE 96 96 6429 1 . ALA 97 97 6429 1 . VAL 98 98 6429 1 . LYS 99 99 6429 1 . ASP 100 100 6429 1 . GLY 101 101 6429 1 . ILE 102 102 6429 1 . LEU 103 103 6429 1 . LEU 104 104 6429 1 . ALA 105 105 6429 1 . THR 106 106 6429 1 . GLY 107 107 6429 1 . LEU 108 108 6429 1 . HIS 109 109 6429 1 . VAL 110 110 6429 1 . HIS 111 111 6429 1 . ARG 112 112 6429 1 . ASN 113 113 6429 1 . SER 114 114 6429 1 . ALA 115 115 6429 1 . HIS 116 116 6429 1 . SER 117 117 6429 1 . ALA 118 118 6429 1 . GLY 119 119 6429 1 . VAL 120 120 6429 1 . GLY 121 121 6429 1 . ALA 122 122 6429 1 . ILE 123 123 6429 1 . PHE 124 124 6429 1 . ASP 125 125 6429 1 . ARG 126 126 6429 1 . VAL 127 127 6429 1 . LEU 128 128 6429 1 . THR 129 129 6429 1 . GLU 130 130 6429 1 . LEU 131 131 6429 1 . VAL 132 132 6429 1 . SER 133 133 6429 1 . LYS 134 134 6429 1 . MET 135 135 6429 1 . ARG 136 136 6429 1 . ASP 137 137 6429 1 . MET 138 138 6429 1 . GLN 139 139 6429 1 . MET 140 140 6429 1 . ASP 141 141 6429 1 . LYS 142 142 6429 1 . THR 143 143 6429 1 . GLU 144 144 6429 1 . LEU 145 145 6429 1 . GLY 146 146 6429 1 . CYS 147 147 6429 1 . LEU 148 148 6429 1 . ARG 149 149 6429 1 . ALA 150 150 6429 1 . ILE 151 151 6429 1 . VAL 152 152 6429 1 . LEU 153 153 6429 1 . PHE 154 154 6429 1 . ASN 155 155 6429 1 . PRO 156 156 6429 1 . ASP 157 157 6429 1 . SER 158 158 6429 1 . LYS 159 159 6429 1 . GLY 160 160 6429 1 . LEU 161 161 6429 1 . SER 162 162 6429 1 . ASN 163 163 6429 1 . PRO 164 164 6429 1 . ALA 165 165 6429 1 . GLU 166 166 6429 1 . VAL 167 167 6429 1 . GLU 168 168 6429 1 . ALA 169 169 6429 1 . LEU 170 170 6429 1 . ARG 171 171 6429 1 . GLU 172 172 6429 1 . LYS 173 173 6429 1 . VAL 174 174 6429 1 . TYR 175 175 6429 1 . ALA 176 176 6429 1 . SER 177 177 6429 1 . LEU 178 178 6429 1 . GLU 179 179 6429 1 . ALA 180 180 6429 1 . TYR 181 181 6429 1 . CYS 182 182 6429 1 . LYS 183 183 6429 1 . HIS 184 184 6429 1 . LYS 185 185 6429 1 . TYR 186 186 6429 1 . PRO 187 187 6429 1 . GLU 188 188 6429 1 . GLN 189 189 6429 1 . PRO 190 190 6429 1 . GLY 191 191 6429 1 . ARG 192 192 6429 1 . PHE 193 193 6429 1 . ALA 194 194 6429 1 . LYS 195 195 6429 1 . LEU 196 196 6429 1 . LEU 197 197 6429 1 . LEU 198 198 6429 1 . ARG 199 199 6429 1 . LEU 200 200 6429 1 . PRO 201 201 6429 1 . ALA 202 202 6429 1 . LEU 203 203 6429 1 . ARG 204 204 6429 1 . SER 205 205 6429 1 . ILE 206 206 6429 1 . GLY 207 207 6429 1 . LEU 208 208 6429 1 . LYS 209 209 6429 1 . CYS 210 210 6429 1 . LEU 211 211 6429 1 . GLU 212 212 6429 1 . HIS 213 213 6429 1 . LEU 214 214 6429 1 . PHE 215 215 6429 1 . PHE 216 216 6429 1 . PHE 217 217 6429 1 . LYS 218 218 6429 1 . LEU 219 219 6429 1 . ILE 220 220 6429 1 . GLY 221 221 6429 1 . ASP 222 222 6429 1 . THR 223 223 6429 1 . PRO 224 224 6429 1 . ILE 225 225 6429 1 . ASP 226 226 6429 1 . THR 227 227 6429 1 . PHE 228 228 6429 1 . LEU 229 229 6429 1 . MET 230 230 6429 1 . GLU 231 231 6429 1 . MET 232 232 6429 1 . LEU 233 233 6429 1 . GLU 234 234 6429 1 . ALA 235 235 6429 1 . PRO 236 236 6429 1 . HIS 237 237 6429 1 . GLN 238 238 6429 1 . MET 239 239 6429 1 . THR 240 240 6429 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6429 _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 $RXRalpha_LBD_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6429 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 6429 _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 $RXRalpha_LBD_1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6429 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6429 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'RXRalpha ligand-binding domain' '[U-2H; U-13C; U-15N]' . . 1 $RXRalpha_LBD_1 . . 1.0 . . mM . . . . 6429 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6429 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 0.2 pH 6429 1 temperature 298 0.1 K 6429 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6429 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6429 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6429 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6429 _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 Varian Inova . 500 . . . 6429 1 2 spectrometer_2 Varian Inova . 600 . . . 6429 1 3 spectrometer_3 Varian Inova . 700 . . . 6429 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 6429 _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 '4D TROSY-HNCOCA' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6429 1 2 '4D TROSY-HNCOi-1CAi' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6429 1 3 '4D TROSY-HNCACO' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6429 1 4 '4D 15N,15N-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6429 1 5 '3D TROSY-HNCO' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6429 1 6 '3D TROSY-HN(CA)CO' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6429 1 7 '3D TROSY-HNCACB' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6429 1 8 '3D TROSY HN(CO)CACB' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6429 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6429 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '4D TROSY-HNCOCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6429 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '4D TROSY-HNCOi-1CAi' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6429 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '4D TROSY-HNCACO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6429 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '4D 15N,15N-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6429 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D TROSY-HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6429 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D TROSY-HN(CA)CO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6429 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D TROSY-HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6429 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D TROSY HN(CO)CACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6429 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct . . . 1.0 . . . . . . 6429 1 C 13 DSS 'methyl carbon' . . . . ppm 0.0 external indirect . . . 1.0 . . . . . . 6429 1 N 15 DSS nitrogen . . . . ppm 0.0 external indirect . . . 1.0 . . . . . . 6429 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_apo_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode apo_chem_shift_list _Assigned_chem_shift_list.Entry_ID 6429 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 '9-cis retinoic acid-free RXRalpha ligand-binding domain.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6429 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 3 3 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 6429 1 2 . 1 1 3 3 SER CB C 13 63.0 0.2 . 1 . . . . . . . . 6429 1 3 . 1 1 3 3 SER C C 13 175.0 0.1 . 1 . . . . . . . . 6429 1 4 . 1 1 4 4 ALA H H 1 8.31 0.01 . 1 . . . . . . . . 6429 1 5 . 1 1 4 4 ALA N N 15 126.1 0.1 . 1 . . . . . . . . 6429 1 6 . 1 1 4 4 ALA CA C 13 53.4 0.2 . 1 . . . . . . . . 6429 1 7 . 1 1 4 4 ALA CB C 13 18.0 0.2 . 1 . . . . . . . . 6429 1 8 . 1 1 4 4 ALA C C 13 178.7 0.1 . 1 . . . . . . . . 6429 1 9 . 1 1 5 5 ASN H H 1 8.29 0.01 . 1 . . . . . . . . 6429 1 10 . 1 1 5 5 ASN N N 15 117.0 0.1 . 1 . . . . . . . . 6429 1 11 . 1 1 5 5 ASN CA C 13 54.2 0.2 . 1 . . . . . . . . 6429 1 12 . 1 1 5 5 ASN CB C 13 38.7 0.2 . 1 . . . . . . . . 6429 1 13 . 1 1 5 5 ASN C C 13 176.2 0.1 . 1 . . . . . . . . 6429 1 14 . 1 1 6 6 GLU H H 1 7.89 0.01 . 1 . . . . . . . . 6429 1 15 . 1 1 6 6 GLU N N 15 118.5 0.1 . 1 . . . . . . . . 6429 1 16 . 1 1 6 6 GLU CA C 13 57.3 0.2 . 1 . . . . . . . . 6429 1 17 . 1 1 6 6 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 6429 1 18 . 1 1 6 6 GLU C C 13 177.2 0.1 . 1 . . . . . . . . 6429 1 19 . 1 1 7 7 ASP H H 1 7.87 0.01 . 1 . . . . . . . . 6429 1 20 . 1 1 7 7 ASP N N 15 119.1 0.1 . 1 . . . . . . . . 6429 1 21 . 1 1 7 7 ASP CA C 13 54.8 0.2 . 1 . . . . . . . . 6429 1 22 . 1 1 7 7 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 6429 1 23 . 1 1 7 7 ASP C C 13 176.0 0.1 . 1 . . . . . . . . 6429 1 24 . 1 1 8 8 MET H H 1 7.91 0.01 . 1 . . . . . . . . 6429 1 25 . 1 1 8 8 MET N N 15 118.5 0.1 . 1 . . . . . . . . 6429 1 26 . 1 1 8 8 MET CA C 13 51.4 0.2 . 1 . . . . . . . . 6429 1 27 . 1 1 8 8 MET CB C 13 30.3 0.2 . 1 . . . . . . . . 6429 1 28 . 1 1 9 9 PRO CA C 13 62.1 0.2 . 1 . . . . . . . . 6429 1 29 . 1 1 9 9 PRO CB C 13 31.4 0.2 . 1 . . . . . . . . 6429 1 30 . 1 1 9 9 PRO C C 13 180.5 0.1 . 1 . . . . . . . . 6429 1 31 . 1 1 10 10 VAL H H 1 9.19 0.01 . 1 . . . . . . . . 6429 1 32 . 1 1 10 10 VAL N N 15 122.9 0.1 . 1 . . . . . . . . 6429 1 33 . 1 1 10 10 VAL CA C 13 64.7 0.2 . 1 . . . . . . . . 6429 1 34 . 1 1 10 10 VAL CB C 13 29.9 0.2 . 1 . . . . . . . . 6429 1 35 . 1 1 10 10 VAL C C 13 178.3 0.1 . 1 . . . . . . . . 6429 1 36 . 1 1 11 11 GLU H H 1 9.79 0.01 . 1 . . . . . . . . 6429 1 37 . 1 1 11 11 GLU N N 15 121.5 0.1 . 1 . . . . . . . . 6429 1 38 . 1 1 11 11 GLU CA C 13 59.8 0.2 . 1 . . . . . . . . 6429 1 39 . 1 1 11 11 GLU CB C 13 32.5 0.2 . 1 . . . . . . . . 6429 1 40 . 1 1 11 11 GLU C C 13 180.2 0.1 . 1 . . . . . . . . 6429 1 41 . 1 1 12 12 ARG H H 1 7.14 0.01 . 1 . . . . . . . . 6429 1 42 . 1 1 12 12 ARG N N 15 116.9 0.1 . 1 . . . . . . . . 6429 1 43 . 1 1 12 12 ARG CA C 13 57.1 0.2 . 1 . . . . . . . . 6429 1 44 . 1 1 12 12 ARG CB C 13 29.7 0.2 . 1 . . . . . . . . 6429 1 45 . 1 1 12 12 ARG C C 13 179.1 0.1 . 1 . . . . . . . . 6429 1 46 . 1 1 13 13 ILE H H 1 7.10 0.01 . 1 . . . . . . . . 6429 1 47 . 1 1 13 13 ILE N N 15 122.9 0.1 . 1 . . . . . . . . 6429 1 48 . 1 1 13 13 ILE CA C 13 65.2 0.2 . 1 . . . . . . . . 6429 1 49 . 1 1 13 13 ILE CB C 13 36.6 0.2 . 1 . . . . . . . . 6429 1 50 . 1 1 13 13 ILE C C 13 177.5 0.1 . 1 . . . . . . . . 6429 1 51 . 1 1 14 14 LEU H H 1 8.33 0.01 . 1 . . . . . . . . 6429 1 52 . 1 1 14 14 LEU N N 15 121.1 0.1 . 1 . . . . . . . . 6429 1 53 . 1 1 14 14 LEU CA C 13 57.8 0.2 . 1 . . . . . . . . 6429 1 54 . 1 1 14 14 LEU CB C 13 39.1 0.2 . 1 . . . . . . . . 6429 1 55 . 1 1 14 14 LEU C C 13 178.4 0.1 . 1 . . . . . . . . 6429 1 56 . 1 1 15 15 GLU H H 1 7.64 0.01 . 1 . . . . . . . . 6429 1 57 . 1 1 15 15 GLU N N 15 117.2 0.1 . 1 . . . . . . . . 6429 1 58 . 1 1 15 15 GLU CA C 13 59.3 0.2 . 1 . . . . . . . . 6429 1 59 . 1 1 15 15 GLU CB C 13 28.7 0.2 . 1 . . . . . . . . 6429 1 60 . 1 1 15 15 GLU C C 13 179.2 0.1 . 1 . . . . . . . . 6429 1 61 . 1 1 16 16 ALA H H 1 7.56 0.01 . 1 . . . . . . . . 6429 1 62 . 1 1 16 16 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 6429 1 63 . 1 1 16 16 ALA CA C 13 55.6 0.2 . 1 . . . . . . . . 6429 1 64 . 1 1 16 16 ALA CB C 13 17.5 0.2 . 1 . . . . . . . . 6429 1 65 . 1 1 16 16 ALA C C 13 179.1 0.1 . 1 . . . . . . . . 6429 1 66 . 1 1 17 17 GLU H H 1 7.77 0.01 . 1 . . . . . . . . 6429 1 67 . 1 1 17 17 GLU N N 15 116.8 0.1 . 1 . . . . . . . . 6429 1 68 . 1 1 17 17 GLU CA C 13 58.7 0.2 . 1 . . . . . . . . 6429 1 69 . 1 1 17 17 GLU CB C 13 29.9 0.2 . 1 . . . . . . . . 6429 1 70 . 1 1 17 17 GLU C C 13 180.5 0.1 . 1 . . . . . . . . 6429 1 71 . 1 1 18 18 LEU H H 1 8.52 0.01 . 1 . . . . . . . . 6429 1 72 . 1 1 18 18 LEU N N 15 117.7 0.1 . 1 . . . . . . . . 6429 1 73 . 1 1 18 18 LEU CA C 13 56.7 0.2 . 1 . . . . . . . . 6429 1 74 . 1 1 18 18 LEU CB C 13 40.1 0.2 . 1 . . . . . . . . 6429 1 75 . 1 1 18 18 LEU C C 13 179.9 0.1 . 1 . . . . . . . . 6429 1 76 . 1 1 19 19 ALA H H 1 7.97 0.01 . 1 . . . . . . . . 6429 1 77 . 1 1 19 19 ALA N N 15 121.1 0.1 . 1 . . . . . . . . 6429 1 78 . 1 1 19 19 ALA CA C 13 54.1 0.2 . 1 . . . . . . . . 6429 1 79 . 1 1 19 19 ALA CB C 13 17.4 0.2 . 1 . . . . . . . . 6429 1 80 . 1 1 19 19 ALA C C 13 179.6 0.1 . 1 . . . . . . . . 6429 1 81 . 1 1 20 20 VAL H H 1 6.97 0.01 . 1 . . . . . . . . 6429 1 82 . 1 1 20 20 VAL N N 15 106.1 0.1 . 1 . . . . . . . . 6429 1 83 . 1 1 20 20 VAL CA C 13 60.1 0.2 . 1 . . . . . . . . 6429 1 84 . 1 1 20 20 VAL CB C 13 31.1 0.2 . 1 . . . . . . . . 6429 1 85 . 1 1 20 20 VAL C C 13 176.0 0.1 . 1 . . . . . . . . 6429 1 86 . 1 1 21 21 GLU H H 1 7.09 0.01 . 1 . . . . . . . . 6429 1 87 . 1 1 21 21 GLU N N 15 126.2 0.1 . 1 . . . . . . . . 6429 1 88 . 1 1 21 21 GLU CA C 13 54.3 0.2 . 1 . . . . . . . . 6429 1 89 . 1 1 21 21 GLU CB C 13 29.2 0.2 . 1 . . . . . . . . 6429 1 90 . 1 1 21 21 GLU C C 13 174.7 0.1 . 1 . . . . . . . . 6429 1 91 . 1 1 22 22 PRO CA C 13 62.5 0.2 . 1 . . . . . . . . 6429 1 92 . 1 1 22 22 PRO CB C 13 31.4 0.2 . 1 . . . . . . . . 6429 1 93 . 1 1 22 22 PRO C C 13 176.8 0.1 . 1 . . . . . . . . 6429 1 94 . 1 1 23 23 LYS H H 1 8.51 0.01 . 1 . . . . . . . . 6429 1 95 . 1 1 23 23 LYS N N 15 123.1 0.1 . 1 . . . . . . . . 6429 1 96 . 1 1 23 23 LYS CA C 13 55.2 0.2 . 1 . . . . . . . . 6429 1 97 . 1 1 23 23 LYS CB C 13 31.4 0.2 . 1 . . . . . . . . 6429 1 98 . 1 1 23 23 LYS C C 13 177.0 0.1 . 1 . . . . . . . . 6429 1 99 . 1 1 24 24 THR H H 1 8.05 0.01 . 1 . . . . . . . . 6429 1 100 . 1 1 24 24 THR N N 15 117.3 0.1 . 1 . . . . . . . . 6429 1 101 . 1 1 24 24 THR CA C 13 61.9 0.2 . 1 . . . . . . . . 6429 1 102 . 1 1 24 24 THR CB C 13 69.2 0.2 . 1 . . . . . . . . 6429 1 103 . 1 1 24 24 THR C C 13 174.8 0.1 . 1 . . . . . . . . 6429 1 104 . 1 1 25 25 GLU H H 1 8.63 0.01 . 1 . . . . . . . . 6429 1 105 . 1 1 25 25 GLU N N 15 124.2 0.1 . 1 . . . . . . . . 6429 1 106 . 1 1 25 25 GLU CA C 13 56.7 0.2 . 1 . . . . . . . . 6429 1 107 . 1 1 25 25 GLU CB C 13 29.4 0.2 . 1 . . . . . . . . 6429 1 108 . 1 1 25 25 GLU C C 13 176.6 0.1 . 1 . . . . . . . . 6429 1 109 . 1 1 26 26 THR H H 1 7.91 0.01 . 1 . . . . . . . . 6429 1 110 . 1 1 26 26 THR N N 15 115.0 0.1 . 1 . . . . . . . . 6429 1 111 . 1 1 26 26 THR CA C 13 61.7 0.2 . 1 . . . . . . . . 6429 1 112 . 1 1 26 26 THR CB C 13 69.3 0.2 . 1 . . . . . . . . 6429 1 113 . 1 1 26 26 THR C C 13 174.1 0.1 . 1 . . . . . . . . 6429 1 114 . 1 1 27 27 TYR H H 1 8.11 0.01 . 1 . . . . . . . . 6429 1 115 . 1 1 27 27 TYR N N 15 123.9 0.1 . 1 . . . . . . . . 6429 1 116 . 1 1 27 27 TYR CA C 13 57.5 0.2 . 1 . . . . . . . . 6429 1 117 . 1 1 27 27 TYR CB C 13 38.1 0.2 . 1 . . . . . . . . 6429 1 118 . 1 1 27 27 TYR C C 13 175.8 0.1 . 1 . . . . . . . . 6429 1 119 . 1 1 28 28 VAL H H 1 7.91 0.01 . 1 . . . . . . . . 6429 1 120 . 1 1 28 28 VAL N N 15 122.5 0.1 . 1 . . . . . . . . 6429 1 121 . 1 1 28 28 VAL CA C 13 61.6 0.2 . 1 . . . . . . . . 6429 1 122 . 1 1 28 28 VAL CB C 13 32.4 0.2 . 1 . . . . . . . . 6429 1 123 . 1 1 28 28 VAL C C 13 176.0 0.1 . 1 . . . . . . . . 6429 1 124 . 1 1 29 29 GLU H H 1 8.32 0.01 . 1 . . . . . . . . 6429 1 125 . 1 1 29 29 GLU N N 15 124.6 0.1 . 1 . . . . . . . . 6429 1 126 . 1 1 29 29 GLU CA C 13 56.6 0.2 . 1 . . . . . . . . 6429 1 127 . 1 1 29 29 GLU CB C 13 29.4 0.2 . 1 . . . . . . . . 6429 1 128 . 1 1 29 29 GLU C C 13 176.9 0.1 . 1 . . . . . . . . 6429 1 129 . 1 1 30 30 ALA H H 1 8.24 0.01 . 1 . . . . . . . . 6429 1 130 . 1 1 30 30 ALA N N 15 124.9 0.1 . 1 . . . . . . . . 6429 1 131 . 1 1 30 30 ALA CA C 13 52.8 0.2 . 1 . . . . . . . . 6429 1 132 . 1 1 30 30 ALA CB C 13 18.4 0.2 . 1 . . . . . . . . 6429 1 133 . 1 1 30 30 ALA C C 13 177.8 0.1 . 1 . . . . . . . . 6429 1 134 . 1 1 31 31 ASN H H 1 8.27 0.01 . 1 . . . . . . . . 6429 1 135 . 1 1 31 31 ASN N N 15 117.4 0.1 . 1 . . . . . . . . 6429 1 136 . 1 1 31 31 ASN CA C 13 52.9 0.2 . 1 . . . . . . . . 6429 1 137 . 1 1 31 31 ASN CB C 13 38.1 0.2 . 1 . . . . . . . . 6429 1 138 . 1 1 31 31 ASN C C 13 175.5 0.1 . 1 . . . . . . . . 6429 1 139 . 1 1 32 32 MET H H 1 8.16 0.01 . 1 . . . . . . . . 6429 1 140 . 1 1 32 32 MET N N 15 120.7 0.1 . 1 . . . . . . . . 6429 1 141 . 1 1 32 32 MET CA C 13 55.7 0.2 . 1 . . . . . . . . 6429 1 142 . 1 1 32 32 MET CB C 13 31.5 0.2 . 1 . . . . . . . . 6429 1 143 . 1 1 32 32 MET C C 13 176.9 0.1 . 1 . . . . . . . . 6429 1 144 . 1 1 33 33 GLY H H 1 8.25 0.01 . 1 . . . . . . . . 6429 1 145 . 1 1 33 33 GLY N N 15 109.5 0.1 . 1 . . . . . . . . 6429 1 146 . 1 1 33 33 GLY CA C 13 45.0 0.2 . 1 . . . . . . . . 6429 1 147 . 1 1 33 33 GLY C C 13 174.1 0.1 . 1 . . . . . . . . 6429 1 148 . 1 1 34 34 LEU H H 1 7.88 0.01 . 1 . . . . . . . . 6429 1 149 . 1 1 34 34 LEU N N 15 121.4 0.1 . 1 . . . . . . . . 6429 1 150 . 1 1 34 34 LEU CA C 13 54.8 0.2 . 1 . . . . . . . . 6429 1 151 . 1 1 34 34 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 6429 1 152 . 1 1 34 34 LEU C C 13 177.0 0.1 . 1 . . . . . . . . 6429 1 153 . 1 1 35 35 ASN H H 1 8.37 0.01 . 1 . . . . . . . . 6429 1 154 . 1 1 35 35 ASN N N 15 120.3 0.1 . 1 . . . . . . . . 6429 1 155 . 1 1 35 35 ASN CA C 13 51.0 0.2 . 1 . . . . . . . . 6429 1 156 . 1 1 35 35 ASN CB C 13 38.4 0.2 . 1 . . . . . . . . 6429 1 157 . 1 1 35 35 ASN C C 13 173.5 0.1 . 1 . . . . . . . . 6429 1 158 . 1 1 36 36 PRO CA C 13 63.2 0.2 . 1 . . . . . . . . 6429 1 159 . 1 1 36 36 PRO CB C 13 31.4 0.2 . 1 . . . . . . . . 6429 1 160 . 1 1 36 36 PRO C C 13 177.3 0.1 . 1 . . . . . . . . 6429 1 161 . 1 1 37 37 SER H H 1 8.23 0.01 . 1 . . . . . . . . 6429 1 162 . 1 1 37 37 SER N N 15 115.2 0.1 . 1 . . . . . . . . 6429 1 163 . 1 1 37 37 SER CA C 13 58.0 0.2 . 1 . . . . . . . . 6429 1 164 . 1 1 37 37 SER CB C 13 62.9 0.2 . 1 . . . . . . . . 6429 1 165 . 1 1 37 37 SER C C 13 174.4 0.1 . 1 . . . . . . . . 6429 1 166 . 1 1 38 38 SER H H 1 8.00 0.01 . 1 . . . . . . . . 6429 1 167 . 1 1 38 38 SER N N 15 118.5 0.1 . 1 . . . . . . . . 6429 1 168 . 1 1 38 38 SER CA C 13 55.8 0.2 . 1 . . . . . . . . 6429 1 169 . 1 1 38 38 SER CB C 13 63.0 0.2 . 1 . . . . . . . . 6429 1 170 . 1 1 38 38 SER C C 13 172.9 0.1 . 1 . . . . . . . . 6429 1 171 . 1 1 40 40 ASN CA C 13 52.5 0.2 . 1 . . . . . . . . 6429 1 172 . 1 1 40 40 ASN CB C 13 38.6 0.2 . 1 . . . . . . . . 6429 1 173 . 1 1 40 40 ASN C C 13 174.4 0.1 . 1 . . . . . . . . 6429 1 174 . 1 1 41 41 ASP H H 1 8.00 0.01 . 1 . . . . . . . . 6429 1 175 . 1 1 41 41 ASP N N 15 121.3 0.1 . 1 . . . . . . . . 6429 1 176 . 1 1 41 41 ASP CA C 13 51.9 0.2 . 1 . . . . . . . . 6429 1 177 . 1 1 41 41 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 6429 1 178 . 1 1 41 41 ASP C C 13 173.7 0.1 . 1 . . . . . . . . 6429 1 179 . 1 1 42 42 PRO CA C 13 65.1 0.2 . 1 . . . . . . . . 6429 1 180 . 1 1 42 42 PRO CB C 13 31.4 0.2 . 1 . . . . . . . . 6429 1 181 . 1 1 42 42 PRO C C 13 178.4 0.1 . 1 . . . . . . . . 6429 1 182 . 1 1 43 43 VAL H H 1 8.09 0.01 . 1 . . . . . . . . 6429 1 183 . 1 1 43 43 VAL N N 15 118.4 0.1 . 1 . . . . . . . . 6429 1 184 . 1 1 43 43 VAL CA C 13 67.4 0.2 . 1 . . . . . . . . 6429 1 185 . 1 1 43 43 VAL CB C 13 30.0 0.2 . 1 . . . . . . . . 6429 1 186 . 1 1 43 43 VAL C C 13 177.4 0.1 . 1 . . . . . . . . 6429 1 187 . 1 1 44 44 THR H H 1 7.53 0.01 . 1 . . . . . . . . 6429 1 188 . 1 1 44 44 THR N N 15 117.9 0.1 . 1 . . . . . . . . 6429 1 189 . 1 1 44 44 THR CA C 13 66.3 0.2 . 1 . . . . . . . . 6429 1 190 . 1 1 44 44 THR CB C 13 67.2 0.2 . 1 . . . . . . . . 6429 1 191 . 1 1 44 44 THR C C 13 177.2 0.1 . 1 . . . . . . . . 6429 1 192 . 1 1 45 45 ASN H H 1 7.70 0.01 . 1 . . . . . . . . 6429 1 193 . 1 1 45 45 ASN N N 15 119.0 0.1 . 1 . . . . . . . . 6429 1 194 . 1 1 45 45 ASN CA C 13 56.2 0.2 . 1 . . . . . . . . 6429 1 195 . 1 1 45 45 ASN CB C 13 37.2 0.2 . 1 . . . . . . . . 6429 1 196 . 1 1 45 45 ASN C C 13 178.5 0.1 . 1 . . . . . . . . 6429 1 197 . 1 1 46 46 ILE H H 1 8.61 0.01 . 1 . . . . . . . . 6429 1 198 . 1 1 46 46 ILE N N 15 124.0 0.1 . 1 . . . . . . . . 6429 1 199 . 1 1 46 46 ILE CA C 13 65.9 0.2 . 1 . . . . . . . . 6429 1 200 . 1 1 46 46 ILE CB C 13 37.0 0.2 . 1 . . . . . . . . 6429 1 201 . 1 1 46 46 ILE C C 13 177.2 0.1 . 1 . . . . . . . . 6429 1 202 . 1 1 47 47 CYS H H 1 8.58 0.01 . 1 . . . . . . . . 6429 1 203 . 1 1 47 47 CYS N N 15 118.3 0.1 . 1 . . . . . . . . 6429 1 204 . 1 1 47 47 CYS CA C 13 56.6 0.2 . 1 . . . . . . . . 6429 1 205 . 1 1 47 47 CYS CB C 13 33.5 0.2 . 1 . . . . . . . . 6429 1 206 . 1 1 47 47 CYS C C 13 176.9 0.1 . 1 . . . . . . . . 6429 1 207 . 1 1 48 48 GLN H H 1 8.24 0.01 . 1 . . . . . . . . 6429 1 208 . 1 1 48 48 GLN N N 15 120.9 0.1 . 1 . . . . . . . . 6429 1 209 . 1 1 48 48 GLN CA C 13 58.7 0.2 . 1 . . . . . . . . 6429 1 210 . 1 1 48 48 GLN CB C 13 27.5 0.2 . 1 . . . . . . . . 6429 1 211 . 1 1 48 48 GLN C C 13 179.4 0.1 . 1 . . . . . . . . 6429 1 212 . 1 1 49 49 ALA H H 1 7.48 0.01 . 1 . . . . . . . . 6429 1 213 . 1 1 49 49 ALA N N 15 123.9 0.1 . 1 . . . . . . . . 6429 1 214 . 1 1 49 49 ALA CA C 13 54.8 0.2 . 1 . . . . . . . . 6429 1 215 . 1 1 49 49 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 6429 1 216 . 1 1 49 49 ALA C C 13 178.3 0.1 . 1 . . . . . . . . 6429 1 217 . 1 1 50 50 ALA H H 1 8.42 0.01 . 1 . . . . . . . . 6429 1 218 . 1 1 50 50 ALA N N 15 121.7 0.1 . 1 . . . . . . . . 6429 1 219 . 1 1 50 50 ALA CA C 13 55.4 0.2 . 1 . . . . . . . . 6429 1 220 . 1 1 50 50 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 6429 1 221 . 1 1 50 50 ALA C C 13 179.2 0.1 . 1 . . . . . . . . 6429 1 222 . 1 1 51 51 ASP H H 1 8.17 0.01 . 1 . . . . . . . . 6429 1 223 . 1 1 51 51 ASP N N 15 117.2 0.1 . 1 . . . . . . . . 6429 1 224 . 1 1 51 51 ASP CA C 13 57.2 0.2 . 1 . . . . . . . . 6429 1 225 . 1 1 51 51 ASP CB C 13 40.1 0.2 . 1 . . . . . . . . 6429 1 226 . 1 1 51 51 ASP C C 13 178.8 0.1 . 1 . . . . . . . . 6429 1 227 . 1 1 52 52 LYS H H 1 7.33 0.01 . 1 . . . . . . . . 6429 1 228 . 1 1 52 52 LYS N N 15 119.4 0.1 . 1 . . . . . . . . 6429 1 229 . 1 1 52 52 LYS CA C 13 59.0 0.2 . 1 . . . . . . . . 6429 1 230 . 1 1 52 52 LYS CB C 13 31.7 0.2 . 1 . . . . . . . . 6429 1 231 . 1 1 52 52 LYS C C 13 179.4 0.1 . 1 . . . . . . . . 6429 1 232 . 1 1 53 53 GLN H H 1 7.98 0.01 . 1 . . . . . . . . 6429 1 233 . 1 1 53 53 GLN N N 15 116.4 0.1 . 1 . . . . . . . . 6429 1 234 . 1 1 53 53 GLN CA C 13 55.9 0.2 . 1 . . . . . . . . 6429 1 235 . 1 1 53 53 GLN CB C 13 30.2 0.2 . 1 . . . . . . . . 6429 1 236 . 1 1 53 53 GLN C C 13 179.7 0.1 . 1 . . . . . . . . 6429 1 237 . 1 1 54 54 LEU H H 1 8.94 0.01 . 1 . . . . . . . . 6429 1 238 . 1 1 54 54 LEU N N 15 125.9 0.1 . 1 . . . . . . . . 6429 1 239 . 1 1 54 54 LEU CA C 13 58.2 0.2 . 1 . . . . . . . . 6429 1 240 . 1 1 54 54 LEU CB C 13 40.5 0.2 . 1 . . . . . . . . 6429 1 241 . 1 1 54 54 LEU C C 13 178.8 0.1 . 1 . . . . . . . . 6429 1 242 . 1 1 55 55 PHE H H 1 7.42 0.01 . 1 . . . . . . . . 6429 1 243 . 1 1 55 55 PHE N N 15 115.8 0.1 . 1 . . . . . . . . 6429 1 244 . 1 1 55 55 PHE CA C 13 60.9 0.2 . 1 . . . . . . . . 6429 1 245 . 1 1 55 55 PHE CB C 13 38.5 0.2 . 1 . . . . . . . . 6429 1 246 . 1 1 55 55 PHE C C 13 177.9 0.1 . 1 . . . . . . . . 6429 1 247 . 1 1 56 56 THR H H 1 7.33 0.01 . 1 . . . . . . . . 6429 1 248 . 1 1 56 56 THR N N 15 108.0 0.1 . 1 . . . . . . . . 6429 1 249 . 1 1 57 57 LEU CA C 13 57.8 0.2 . 1 . . . . . . . . 6429 1 250 . 1 1 57 57 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 6429 1 251 . 1 1 57 57 LEU C C 13 178.6 0.1 . 1 . . . . . . . . 6429 1 252 . 1 1 58 58 VAL H H 1 7.96 0.01 . 1 . . . . . . . . 6429 1 253 . 1 1 58 58 VAL N N 15 117.5 0.1 . 1 . . . . . . . . 6429 1 254 . 1 1 58 58 VAL CA C 13 66.3 0.2 . 1 . . . . . . . . 6429 1 255 . 1 1 58 58 VAL CB C 13 30.4 0.2 . 1 . . . . . . . . 6429 1 256 . 1 1 58 58 VAL C C 13 176.8 0.1 . 1 . . . . . . . . 6429 1 257 . 1 1 59 59 GLU H H 1 7.32 0.01 . 1 . . . . . . . . 6429 1 258 . 1 1 59 59 GLU N N 15 118.9 0.1 . 1 . . . . . . . . 6429 1 259 . 1 1 59 59 GLU CA C 13 58.3 0.2 . 1 . . . . . . . . 6429 1 260 . 1 1 59 59 GLU CB C 13 28.3 0.2 . 1 . . . . . . . . 6429 1 261 . 1 1 59 59 GLU C C 13 178.7 0.1 . 1 . . . . . . . . 6429 1 262 . 1 1 60 60 TRP H H 1 8.01 0.01 . 1 . . . . . . . . 6429 1 263 . 1 1 60 60 TRP N N 15 119.5 0.1 . 1 . . . . . . . . 6429 1 264 . 1 1 60 60 TRP CA C 13 61.7 0.2 . 1 . . . . . . . . 6429 1 265 . 1 1 60 60 TRP CB C 13 27.5 0.2 . 1 . . . . . . . . 6429 1 266 . 1 1 60 60 TRP C C 13 176.6 0.1 . 1 . . . . . . . . 6429 1 267 . 1 1 61 61 ALA H H 1 8.12 0.01 . 1 . . . . . . . . 6429 1 268 . 1 1 61 61 ALA N N 15 120.7 0.1 . 1 . . . . . . . . 6429 1 269 . 1 1 61 61 ALA CA C 13 54.3 0.2 . 1 . . . . . . . . 6429 1 270 . 1 1 61 61 ALA CB C 13 17.0 0.2 . 1 . . . . . . . . 6429 1 271 . 1 1 61 61 ALA C C 13 179.2 0.1 . 1 . . . . . . . . 6429 1 272 . 1 1 62 62 LYS H H 1 7.79 0.01 . 1 . . . . . . . . 6429 1 273 . 1 1 62 62 LYS N N 15 111.8 0.1 . 1 . . . . . . . . 6429 1 274 . 1 1 62 62 LYS CA C 13 58.7 0.2 . 1 . . . . . . . . 6429 1 275 . 1 1 62 62 LYS CB C 13 31.6 0.2 . 1 . . . . . . . . 6429 1 276 . 1 1 62 62 LYS C C 13 178.8 0.1 . 1 . . . . . . . . 6429 1 277 . 1 1 63 63 ARG H H 1 7.28 0.01 . 1 . . . . . . . . 6429 1 278 . 1 1 63 63 ARG N N 15 118.9 0.1 . 1 . . . . . . . . 6429 1 279 . 1 1 63 63 ARG CA C 13 55.8 0.2 . 1 . . . . . . . . 6429 1 280 . 1 1 63 63 ARG CB C 13 29.9 0.2 . 1 . . . . . . . . 6429 1 281 . 1 1 63 63 ARG C C 13 176.5 0.1 . 1 . . . . . . . . 6429 1 282 . 1 1 64 64 ILE H H 1 7.38 0.01 . 1 . . . . . . . . 6429 1 283 . 1 1 64 64 ILE N N 15 126.4 0.1 . 1 . . . . . . . . 6429 1 284 . 1 1 64 64 ILE CA C 13 55.2 0.2 . 1 . . . . . . . . 6429 1 285 . 1 1 64 64 ILE CB C 13 33.4 0.2 . 1 . . . . . . . . 6429 1 286 . 1 1 64 64 ILE C C 13 174.9 0.1 . 1 . . . . . . . . 6429 1 287 . 1 1 65 65 PRO CA C 13 64.3 0.2 . 1 . . . . . . . . 6429 1 288 . 1 1 65 65 PRO CB C 13 30.8 0.2 . 1 . . . . . . . . 6429 1 289 . 1 1 65 65 PRO C C 13 174.7 0.1 . 1 . . . . . . . . 6429 1 290 . 1 1 66 66 HIS H H 1 7.95 0.01 . 1 . . . . . . . . 6429 1 291 . 1 1 66 66 HIS N N 15 111.1 0.1 . 1 . . . . . . . . 6429 1 292 . 1 1 66 66 HIS CA C 13 58.4 0.2 . 1 . . . . . . . . 6429 1 293 . 1 1 66 66 HIS CB C 13 27.4 0.2 . 1 . . . . . . . . 6429 1 294 . 1 1 66 66 HIS C C 13 176.2 0.1 . 1 . . . . . . . . 6429 1 295 . 1 1 67 67 PHE H H 1 8.03 0.01 . 1 . . . . . . . . 6429 1 296 . 1 1 67 67 PHE N N 15 125.1 0.1 . 1 . . . . . . . . 6429 1 297 . 1 1 67 67 PHE CA C 13 63.0 0.2 . 1 . . . . . . . . 6429 1 298 . 1 1 67 67 PHE CB C 13 38.7 0.2 . 1 . . . . . . . . 6429 1 299 . 1 1 67 67 PHE C C 13 177.1 0.1 . 1 . . . . . . . . 6429 1 300 . 1 1 68 68 SER H H 1 9.05 0.01 . 1 . . . . . . . . 6429 1 301 . 1 1 68 68 SER N N 15 110.4 0.1 . 1 . . . . . . . . 6429 1 302 . 1 1 68 68 SER CA C 13 60.1 0.2 . 1 . . . . . . . . 6429 1 303 . 1 1 68 68 SER CB C 13 62.5 0.2 . 1 . . . . . . . . 6429 1 304 . 1 1 68 68 SER C C 13 174.3 0.1 . 1 . . . . . . . . 6429 1 305 . 1 1 69 69 GLU H H 1 7.18 0.01 . 1 . . . . . . . . 6429 1 306 . 1 1 69 69 GLU N N 15 118.5 0.1 . 1 . . . . . . . . 6429 1 307 . 1 1 69 69 GLU CA C 13 56.0 0.2 . 1 . . . . . . . . 6429 1 308 . 1 1 69 69 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 6429 1 309 . 1 1 69 69 GLU C C 13 178.1 0.1 . 1 . . . . . . . . 6429 1 310 . 1 1 70 70 LEU H H 1 7.22 0.01 . 1 . . . . . . . . 6429 1 311 . 1 1 70 70 LEU N N 15 122.0 0.1 . 1 . . . . . . . . 6429 1 312 . 1 1 70 70 LEU CA C 13 53.2 0.2 . 1 . . . . . . . . 6429 1 313 . 1 1 70 70 LEU CB C 13 39.8 0.2 . 1 . . . . . . . . 6429 1 314 . 1 1 70 70 LEU C C 13 174.9 0.1 . 1 . . . . . . . . 6429 1 315 . 1 1 71 71 PRO CA C 13 62.9 0.2 . 1 . . . . . . . . 6429 1 316 . 1 1 71 71 PRO CB C 13 31.2 0.2 . 1 . . . . . . . . 6429 1 317 . 1 1 71 71 PRO C C 13 178.1 0.1 . 1 . . . . . . . . 6429 1 318 . 1 1 72 72 LEU H H 1 8.70 0.01 . 1 . . . . . . . . 6429 1 319 . 1 1 72 72 LEU N N 15 128.6 0.1 . 1 . . . . . . . . 6429 1 320 . 1 1 72 72 LEU CA C 13 58.4 0.2 . 1 . . . . . . . . 6429 1 321 . 1 1 72 72 LEU CB C 13 40.8 0.2 . 1 . . . . . . . . 6429 1 322 . 1 1 72 72 LEU C C 13 178.5 0.1 . 1 . . . . . . . . 6429 1 323 . 1 1 73 73 ASP H H 1 8.59 0.01 . 1 . . . . . . . . 6429 1 324 . 1 1 73 73 ASP N N 15 114.4 0.1 . 1 . . . . . . . . 6429 1 325 . 1 1 73 73 ASP CA C 13 56.9 0.2 . 1 . . . . . . . . 6429 1 326 . 1 1 73 73 ASP CB C 13 39.9 0.2 . 1 . . . . . . . . 6429 1 327 . 1 1 73 73 ASP C C 13 179.1 0.1 . 1 . . . . . . . . 6429 1 328 . 1 1 74 74 ASP H H 1 7.01 0.01 . 1 . . . . . . . . 6429 1 329 . 1 1 74 74 ASP N N 15 118.5 0.1 . 1 . . . . . . . . 6429 1 330 . 1 1 74 74 ASP CA C 13 56.6 0.2 . 1 . . . . . . . . 6429 1 331 . 1 1 74 74 ASP CB C 13 39.8 0.2 . 1 . . . . . . . . 6429 1 332 . 1 1 74 74 ASP C C 13 177.5 0.1 . 1 . . . . . . . . 6429 1 333 . 1 1 75 75 GLN H H 1 7.76 0.01 . 1 . . . . . . . . 6429 1 334 . 1 1 75 75 GLN N N 15 120.7 0.1 . 1 . . . . . . . . 6429 1 335 . 1 1 75 75 GLN CA C 13 59.5 0.2 . 1 . . . . . . . . 6429 1 336 . 1 1 75 75 GLN CB C 13 28.7 0.2 . 1 . . . . . . . . 6429 1 337 . 1 1 75 75 GLN C C 13 178.7 0.1 . 1 . . . . . . . . 6429 1 338 . 1 1 76 76 VAL H H 1 7.68 0.01 . 1 . . . . . . . . 6429 1 339 . 1 1 76 76 VAL N N 15 116.4 0.1 . 1 . . . . . . . . 6429 1 340 . 1 1 76 76 VAL CA C 13 66.5 0.2 . 1 . . . . . . . . 6429 1 341 . 1 1 76 76 VAL CB C 13 30.9 0.2 . 1 . . . . . . . . 6429 1 342 . 1 1 76 76 VAL C C 13 178.0 0.1 . 1 . . . . . . . . 6429 1 343 . 1 1 77 77 ILE H H 1 7.52 0.01 . 1 . . . . . . . . 6429 1 344 . 1 1 77 77 ILE N N 15 120.7 0.1 . 1 . . . . . . . . 6429 1 345 . 1 1 77 77 ILE CA C 13 65.3 0.2 . 1 . . . . . . . . 6429 1 346 . 1 1 77 77 ILE CB C 13 37.6 0.2 . 1 . . . . . . . . 6429 1 347 . 1 1 77 77 ILE C C 13 179.1 0.1 . 1 . . . . . . . . 6429 1 348 . 1 1 78 78 LEU H H 1 8.49 0.01 . 1 . . . . . . . . 6429 1 349 . 1 1 78 78 LEU N N 15 118.9 0.1 . 1 . . . . . . . . 6429 1 350 . 1 1 78 78 LEU CA C 13 57.6 0.2 . 1 . . . . . . . . 6429 1 351 . 1 1 78 78 LEU CB C 13 39.3 0.2 . 1 . . . . . . . . 6429 1 352 . 1 1 78 78 LEU C C 13 181.6 0.1 . 1 . . . . . . . . 6429 1 353 . 1 1 79 79 LEU H H 1 7.99 0.01 . 1 . . . . . . . . 6429 1 354 . 1 1 79 79 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 6429 1 355 . 1 1 79 79 LEU CA C 13 57.9 0.2 . 1 . . . . . . . . 6429 1 356 . 1 1 79 79 LEU CB C 13 41.0 0.2 . 1 . . . . . . . . 6429 1 357 . 1 1 79 79 LEU C C 13 178.8 0.1 . 1 . . . . . . . . 6429 1 358 . 1 1 80 80 ARG H H 1 8.94 0.01 . 1 . . . . . . . . 6429 1 359 . 1 1 80 80 ARG N N 15 120.3 0.1 . 1 . . . . . . . . 6429 1 360 . 1 1 80 80 ARG CA C 13 59.7 0.2 . 1 . . . . . . . . 6429 1 361 . 1 1 80 80 ARG CB C 13 29.3 0.2 . 1 . . . . . . . . 6429 1 362 . 1 1 80 80 ARG C C 13 178.5 0.1 . 1 . . . . . . . . 6429 1 363 . 1 1 81 81 ALA H H 1 8.46 0.01 . 1 . . . . . . . . 6429 1 364 . 1 1 81 81 ALA N N 15 118.9 0.1 . 1 . . . . . . . . 6429 1 365 . 1 1 81 81 ALA CA C 13 53.7 0.2 . 1 . . . . . . . . 6429 1 366 . 1 1 81 81 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 6429 1 367 . 1 1 81 81 ALA C C 13 180.3 0.1 . 1 . . . . . . . . 6429 1 368 . 1 1 82 82 GLY H H 1 7.71 0.01 . 1 . . . . . . . . 6429 1 369 . 1 1 82 82 GLY N N 15 103.3 0.1 . 1 . . . . . . . . 6429 1 370 . 1 1 82 82 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 6429 1 371 . 1 1 82 82 GLY C C 13 176.0 0.1 . 1 . . . . . . . . 6429 1 372 . 1 1 83 83 TRP H H 1 8.06 0.01 . 1 . . . . . . . . 6429 1 373 . 1 1 83 83 TRP N N 15 120.0 0.1 . 1 . . . . . . . . 6429 1 374 . 1 1 83 83 TRP CA C 13 60.9 0.2 . 1 . . . . . . . . 6429 1 375 . 1 1 83 83 TRP CB C 13 26.7 0.2 . 1 . . . . . . . . 6429 1 376 . 1 1 83 83 TRP C C 13 175.1 0.1 . 1 . . . . . . . . 6429 1 377 . 1 1 84 84 ASN H H 1 7.15 0.01 . 1 . . . . . . . . 6429 1 378 . 1 1 84 84 ASN N N 15 117.4 0.1 . 1 . . . . . . . . 6429 1 379 . 1 1 84 84 ASN CA C 13 56.9 0.2 . 1 . . . . . . . . 6429 1 380 . 1 1 84 84 ASN CB C 13 34.4 0.2 . 1 . . . . . . . . 6429 1 381 . 1 1 84 84 ASN C C 13 176.1 0.1 . 1 . . . . . . . . 6429 1 382 . 1 1 85 85 GLU H H 1 6.93 0.01 . 1 . . . . . . . . 6429 1 383 . 1 1 85 85 GLU N N 15 121.1 0.1 . 1 . . . . . . . . 6429 1 384 . 1 1 85 85 GLU CA C 13 60.1 0.2 . 1 . . . . . . . . 6429 1 385 . 1 1 85 85 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 6429 1 386 . 1 1 85 85 GLU C C 13 178.5 0.1 . 1 . . . . . . . . 6429 1 387 . 1 1 86 86 LEU H H 1 8.32 0.01 . 1 . . . . . . . . 6429 1 388 . 1 1 86 86 LEU N N 15 117.9 0.1 . 1 . . . . . . . . 6429 1 389 . 1 1 86 86 LEU CA C 13 57.6 0.2 . 1 . . . . . . . . 6429 1 390 . 1 1 86 86 LEU CB C 13 40.1 0.2 . 1 . . . . . . . . 6429 1 391 . 1 1 86 86 LEU C C 13 180.7 0.1 . 1 . . . . . . . . 6429 1 392 . 1 1 87 87 LEU H H 1 8.14 0.01 . 1 . . . . . . . . 6429 1 393 . 1 1 87 87 LEU N N 15 119.1 0.1 . 1 . . . . . . . . 6429 1 394 . 1 1 87 87 LEU CA C 13 57.3 0.2 . 1 . . . . . . . . 6429 1 395 . 1 1 87 87 LEU CB C 13 40.8 0.2 . 1 . . . . . . . . 6429 1 396 . 1 1 87 87 LEU C C 13 180.2 0.1 . 1 . . . . . . . . 6429 1 397 . 1 1 88 88 ILE H H 1 7.92 0.01 . 1 . . . . . . . . 6429 1 398 . 1 1 88 88 ILE N N 15 120.5 0.1 . 1 . . . . . . . . 6429 1 399 . 1 1 88 88 ILE CA C 13 62.7 0.2 . 1 . . . . . . . . 6429 1 400 . 1 1 88 88 ILE CB C 13 37.2 0.2 . 1 . . . . . . . . 6429 1 401 . 1 1 88 88 ILE C C 13 179.0 0.1 . 1 . . . . . . . . 6429 1 402 . 1 1 89 89 ALA H H 1 8.13 0.01 . 1 . . . . . . . . 6429 1 403 . 1 1 89 89 ALA N N 15 123.1 0.1 . 1 . . . . . . . . 6429 1 404 . 1 1 89 89 ALA CA C 13 55.2 0.2 . 1 . . . . . . . . 6429 1 405 . 1 1 89 89 ALA CB C 13 15.7 0.2 . 1 . . . . . . . . 6429 1 406 . 1 1 89 89 ALA C C 13 177.9 0.1 . 1 . . . . . . . . 6429 1 407 . 1 1 90 90 SER H H 1 6.64 0.01 . 1 . . . . . . . . 6429 1 408 . 1 1 90 90 SER N N 15 109.3 0.1 . 1 . . . . . . . . 6429 1 409 . 1 1 90 90 SER CA C 13 62.4 0.2 . 1 . . . . . . . . 6429 1 410 . 1 1 90 90 SER CB C 13 63.0 0.2 . 1 . . . . . . . . 6429 1 411 . 1 1 90 90 SER C C 13 178.2 0.1 . 1 . . . . . . . . 6429 1 412 . 1 1 91 91 PHE H H 1 8.01 0.01 . 1 . . . . . . . . 6429 1 413 . 1 1 91 91 PHE N N 15 119.4 0.1 . 1 . . . . . . . . 6429 1 414 . 1 1 91 91 PHE CA C 13 59.5 0.2 . 1 . . . . . . . . 6429 1 415 . 1 1 91 91 PHE CB C 13 35.6 0.2 . 1 . . . . . . . . 6429 1 416 . 1 1 91 91 PHE C C 13 179.1 0.1 . 1 . . . . . . . . 6429 1 417 . 1 1 92 92 SER H H 1 7.58 0.01 . 1 . . . . . . . . 6429 1 418 . 1 1 92 92 SER N N 15 125.5 0.1 . 1 . . . . . . . . 6429 1 419 . 1 1 92 92 SER CA C 13 63.3 0.2 . 1 . . . . . . . . 6429 1 420 . 1 1 92 92 SER CB C 13 61.8 0.2 . 1 . . . . . . . . 6429 1 421 . 1 1 92 92 SER C C 13 174.3 0.1 . 1 . . . . . . . . 6429 1 422 . 1 1 93 93 HIS H H 1 7.34 0.01 . 1 . . . . . . . . 6429 1 423 . 1 1 93 93 HIS N N 15 121.8 0.1 . 1 . . . . . . . . 6429 1 424 . 1 1 93 93 HIS CA C 13 61.6 0.2 . 1 . . . . . . . . 6429 1 425 . 1 1 93 93 HIS CB C 13 32.1 0.2 . 1 . . . . . . . . 6429 1 426 . 1 1 93 93 HIS C C 13 178.7 0.1 . 1 . . . . . . . . 6429 1 427 . 1 1 94 94 ARG H H 1 7.63 0.01 . 1 . . . . . . . . 6429 1 428 . 1 1 94 94 ARG N N 15 119.4 0.1 . 1 . . . . . . . . 6429 1 429 . 1 1 94 94 ARG CA C 13 57.7 0.2 . 1 . . . . . . . . 6429 1 430 . 1 1 94 94 ARG CB C 13 30.5 0.2 . 1 . . . . . . . . 6429 1 431 . 1 1 94 94 ARG C C 13 178.1 0.1 . 1 . . . . . . . . 6429 1 432 . 1 1 95 95 SER H H 1 7.34 0.01 . 1 . . . . . . . . 6429 1 433 . 1 1 95 95 SER N N 15 111.0 0.1 . 1 . . . . . . . . 6429 1 434 . 1 1 95 95 SER CA C 13 59.8 0.2 . 1 . . . . . . . . 6429 1 435 . 1 1 95 95 SER CB C 13 62.6 0.2 . 1 . . . . . . . . 6429 1 436 . 1 1 95 95 SER C C 13 173.5 0.1 . 1 . . . . . . . . 6429 1 437 . 1 1 96 96 ILE H H 1 7.17 0.01 . 1 . . . . . . . . 6429 1 438 . 1 1 96 96 ILE N N 15 118.0 0.1 . 1 . . . . . . . . 6429 1 439 . 1 1 96 96 ILE CA C 13 64.8 0.2 . 1 . . . . . . . . 6429 1 440 . 1 1 96 96 ILE CB C 13 37.6 0.2 . 1 . . . . . . . . 6429 1 441 . 1 1 96 96 ILE C C 13 176.8 0.1 . 1 . . . . . . . . 6429 1 442 . 1 1 97 97 ALA H H 1 7.46 0.01 . 1 . . . . . . . . 6429 1 443 . 1 1 97 97 ALA N N 15 120.3 0.1 . 1 . . . . . . . . 6429 1 444 . 1 1 97 97 ALA CA C 13 52.3 0.2 . 1 . . . . . . . . 6429 1 445 . 1 1 97 97 ALA CB C 13 19.0 0.2 . 1 . . . . . . . . 6429 1 446 . 1 1 97 97 ALA C C 13 177.2 0.1 . 1 . . . . . . . . 6429 1 447 . 1 1 98 98 VAL H H 1 7.60 0.01 . 1 . . . . . . . . 6429 1 448 . 1 1 98 98 VAL N N 15 116.3 0.1 . 1 . . . . . . . . 6429 1 449 . 1 1 98 98 VAL CA C 13 59.8 0.2 . 1 . . . . . . . . 6429 1 450 . 1 1 98 98 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 6429 1 451 . 1 1 98 98 VAL C C 13 175.2 0.1 . 1 . . . . . . . . 6429 1 452 . 1 1 99 99 LYS H H 1 8.54 0.01 . 1 . . . . . . . . 6429 1 453 . 1 1 99 99 LYS N N 15 124.7 0.1 . 1 . . . . . . . . 6429 1 454 . 1 1 99 99 LYS CA C 13 55.4 0.2 . 1 . . . . . . . . 6429 1 455 . 1 1 99 99 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 6429 1 456 . 1 1 99 99 LYS C C 13 176.7 0.1 . 1 . . . . . . . . 6429 1 457 . 1 1 100 100 ASP H H 1 8.86 0.01 . 1 . . . . . . . . 6429 1 458 . 1 1 100 100 ASP N N 15 122.4 0.1 . 1 . . . . . . . . 6429 1 459 . 1 1 100 100 ASP CA C 13 54.9 0.2 . 1 . . . . . . . . 6429 1 460 . 1 1 100 100 ASP CB C 13 39.6 0.2 . 1 . . . . . . . . 6429 1 461 . 1 1 100 100 ASP C C 13 174.2 0.1 . 1 . . . . . . . . 6429 1 462 . 1 1 101 101 GLY H H 1 7.50 0.01 . 1 . . . . . . . . 6429 1 463 . 1 1 101 101 GLY N N 15 103.2 0.1 . 1 . . . . . . . . 6429 1 464 . 1 1 101 101 GLY CA C 13 46.4 0.2 . 1 . . . . . . . . 6429 1 465 . 1 1 101 101 GLY C C 13 181.0 0.1 . 1 . . . . . . . . 6429 1 466 . 1 1 102 102 ILE H H 1 8.42 0.01 . 1 . . . . . . . . 6429 1 467 . 1 1 102 102 ILE N N 15 110.9 0.1 . 1 . . . . . . . . 6429 1 468 . 1 1 102 102 ILE CA C 13 57.9 0.2 . 1 . . . . . . . . 6429 1 469 . 1 1 102 102 ILE CB C 13 41.0 0.2 . 1 . . . . . . . . 6429 1 470 . 1 1 102 102 ILE C C 13 173.3 0.1 . 1 . . . . . . . . 6429 1 471 . 1 1 103 103 LEU H H 1 8.26 0.01 . 1 . . . . . . . . 6429 1 472 . 1 1 103 103 LEU N N 15 124.6 0.1 . 1 . . . . . . . . 6429 1 473 . 1 1 103 103 LEU CA C 13 52.8 0.2 . 1 . . . . . . . . 6429 1 474 . 1 1 103 103 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 6429 1 475 . 1 1 103 103 LEU C C 13 175.3 0.1 . 1 . . . . . . . . 6429 1 476 . 1 1 104 104 LEU H H 1 8.61 0.01 . 1 . . . . . . . . 6429 1 477 . 1 1 104 104 LEU N N 15 122.9 0.1 . 1 . . . . . . . . 6429 1 478 . 1 1 104 104 LEU CA C 13 53.2 0.2 . 1 . . . . . . . . 6429 1 479 . 1 1 104 104 LEU CB C 13 42.3 0.2 . 1 . . . . . . . . 6429 1 480 . 1 1 104 104 LEU C C 13 180.9 0.1 . 1 . . . . . . . . 6429 1 481 . 1 1 105 105 ALA H H 1 10.88 0.01 . 1 . . . . . . . . 6429 1 482 . 1 1 105 105 ALA N N 15 126.8 0.1 . 1 . . . . . . . . 6429 1 483 . 1 1 105 105 ALA CA C 13 54.0 0.2 . 1 . . . . . . . . 6429 1 484 . 1 1 105 105 ALA CB C 13 18.2 0.2 . 1 . . . . . . . . 6429 1 485 . 1 1 105 105 ALA C C 13 177.4 0.1 . 1 . . . . . . . . 6429 1 486 . 1 1 106 106 THR H H 1 6.97 0.01 . 1 . . . . . . . . 6429 1 487 . 1 1 106 106 THR N N 15 102.1 0.1 . 1 . . . . . . . . 6429 1 488 . 1 1 106 106 THR CA C 13 60.2 0.2 . 1 . . . . . . . . 6429 1 489 . 1 1 106 106 THR CB C 13 68.6 0.2 . 1 . . . . . . . . 6429 1 490 . 1 1 106 106 THR C C 13 175.6 0.1 . 1 . . . . . . . . 6429 1 491 . 1 1 107 107 GLY H H 1 8.06 0.01 . 1 . . . . . . . . 6429 1 492 . 1 1 107 107 GLY N N 15 109.6 0.1 . 1 . . . . . . . . 6429 1 493 . 1 1 107 107 GLY CA C 13 44.7 0.2 . 1 . . . . . . . . 6429 1 494 . 1 1 107 107 GLY C C 13 172.9 0.1 . 1 . . . . . . . . 6429 1 495 . 1 1 108 108 LEU H H 1 6.32 0.01 . 1 . . . . . . . . 6429 1 496 . 1 1 108 108 LEU N N 15 119.6 0.1 . 1 . . . . . . . . 6429 1 497 . 1 1 108 108 LEU CA C 13 53.9 0.2 . 1 . . . . . . . . 6429 1 498 . 1 1 108 108 LEU CB C 13 43.0 0.2 . 1 . . . . . . . . 6429 1 499 . 1 1 108 108 LEU C C 13 175.0 0.1 . 1 . . . . . . . . 6429 1 500 . 1 1 109 109 HIS H H 1 8.42 0.01 . 1 . . . . . . . . 6429 1 501 . 1 1 109 109 HIS N N 15 121.8 0.1 . 1 . . . . . . . . 6429 1 502 . 1 1 109 109 HIS CA C 13 54.3 0.2 . 1 . . . . . . . . 6429 1 503 . 1 1 109 109 HIS CB C 13 31.8 0.2 . 1 . . . . . . . . 6429 1 504 . 1 1 109 109 HIS C C 13 175.7 0.1 . 1 . . . . . . . . 6429 1 505 . 1 1 110 110 VAL H H 1 8.56 0.01 . 1 . . . . . . . . 6429 1 506 . 1 1 110 110 VAL N N 15 124.6 0.1 . 1 . . . . . . . . 6429 1 507 . 1 1 110 110 VAL CA C 13 60.9 0.2 . 1 . . . . . . . . 6429 1 508 . 1 1 110 110 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 6429 1 509 . 1 1 110 110 VAL C C 13 174.4 0.1 . 1 . . . . . . . . 6429 1 510 . 1 1 111 111 HIS H H 1 8.81 0.01 . 1 . . . . . . . . 6429 1 511 . 1 1 111 111 HIS N N 15 127.9 0.1 . 1 . . . . . . . . 6429 1 512 . 1 1 111 111 HIS CA C 13 56.8 0.2 . 1 . . . . . . . . 6429 1 513 . 1 1 111 111 HIS CB C 13 32.3 0.2 . 1 . . . . . . . . 6429 1 514 . 1 1 111 111 HIS C C 13 176.6 0.1 . 1 . . . . . . . . 6429 1 515 . 1 1 112 112 ARG H H 1 8.50 0.01 . 1 . . . . . . . . 6429 1 516 . 1 1 112 112 ARG N N 15 125.6 0.1 . 1 . . . . . . . . 6429 1 517 . 1 1 112 112 ARG CA C 13 59.8 0.2 . 1 . . . . . . . . 6429 1 518 . 1 1 112 112 ARG CB C 13 29.9 0.2 . 1 . . . . . . . . 6429 1 519 . 1 1 112 112 ARG C C 13 177.9 0.1 . 1 . . . . . . . . 6429 1 520 . 1 1 114 114 SER CA C 13 60.1 0.2 . 1 . . . . . . . . 6429 1 521 . 1 1 114 114 SER CB C 13 61.6 0.2 . 1 . . . . . . . . 6429 1 522 . 1 1 114 114 SER C C 13 176.6 0.1 . 1 . . . . . . . . 6429 1 523 . 1 1 115 115 ALA H H 1 7.21 0.01 . 1 . . . . . . . . 6429 1 524 . 1 1 115 115 ALA N N 15 123.7 0.1 . 1 . . . . . . . . 6429 1 525 . 1 1 115 115 ALA CA C 13 54.6 0.2 . 1 . . . . . . . . 6429 1 526 . 1 1 115 115 ALA CB C 13 16.3 0.2 . 1 . . . . . . . . 6429 1 527 . 1 1 115 115 ALA C C 13 179.2 0.1 . 1 . . . . . . . . 6429 1 528 . 1 1 116 116 HIS H H 1 8.22 0.01 . 1 . . . . . . . . 6429 1 529 . 1 1 116 116 HIS N N 15 117.0 0.1 . 1 . . . . . . . . 6429 1 530 . 1 1 116 116 HIS CA C 13 60.2 0.2 . 1 . . . . . . . . 6429 1 531 . 1 1 116 116 HIS CB C 13 30.3 0.2 . 1 . . . . . . . . 6429 1 532 . 1 1 116 116 HIS C C 13 180.2 0.1 . 1 . . . . . . . . 6429 1 533 . 1 1 117 117 SER H H 1 8.05 0.01 . 1 . . . . . . . . 6429 1 534 . 1 1 117 117 SER N N 15 117.6 0.1 . 1 . . . . . . . . 6429 1 535 . 1 1 117 117 SER CA C 13 61.1 0.2 . 1 . . . . . . . . 6429 1 536 . 1 1 117 117 SER CB C 13 62.0 0.2 . 1 . . . . . . . . 6429 1 537 . 1 1 117 117 SER C C 13 174.7 0.1 . 1 . . . . . . . . 6429 1 538 . 1 1 118 118 ALA H H 1 7.33 0.01 . 1 . . . . . . . . 6429 1 539 . 1 1 118 118 ALA N N 15 121.3 0.1 . 1 . . . . . . . . 6429 1 540 . 1 1 118 118 ALA CA C 13 51.6 0.2 . 1 . . . . . . . . 6429 1 541 . 1 1 118 118 ALA CB C 13 19.2 0.2 . 1 . . . . . . . . 6429 1 542 . 1 1 118 118 ALA C C 13 177.5 0.1 . 1 . . . . . . . . 6429 1 543 . 1 1 119 119 GLY H H 1 7.50 0.01 . 1 . . . . . . . . 6429 1 544 . 1 1 119 119 GLY N N 15 105.0 0.1 . 1 . . . . . . . . 6429 1 545 . 1 1 119 119 GLY CA C 13 46.0 0.2 . 1 . . . . . . . . 6429 1 546 . 1 1 119 119 GLY C C 13 175.7 0.1 . 1 . . . . . . . . 6429 1 547 . 1 1 120 120 VAL H H 1 7.45 0.01 . 1 . . . . . . . . 6429 1 548 . 1 1 120 120 VAL N N 15 112.1 0.1 . 1 . . . . . . . . 6429 1 549 . 1 1 120 120 VAL CA C 13 58.8 0.2 . 1 . . . . . . . . 6429 1 550 . 1 1 120 120 VAL CB C 13 29.7 0.2 . 1 . . . . . . . . 6429 1 551 . 1 1 120 120 VAL C C 13 175.4 0.1 . 1 . . . . . . . . 6429 1 552 . 1 1 121 121 GLY H H 1 8.47 0.01 . 1 . . . . . . . . 6429 1 553 . 1 1 121 121 GLY N N 15 110.9 0.1 . 1 . . . . . . . . 6429 1 554 . 1 1 121 121 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 6429 1 555 . 1 1 121 121 GLY C C 13 174.5 0.1 . 1 . . . . . . . . 6429 1 556 . 1 1 124 124 PHE CA C 13 62.1 0.2 . 1 . . . . . . . . 6429 1 557 . 1 1 124 124 PHE CB C 13 40.4 0.2 . 1 . . . . . . . . 6429 1 558 . 1 1 124 124 PHE C C 13 177.3 0.1 . 1 . . . . . . . . 6429 1 559 . 1 1 125 125 ASP H H 1 8.90 0.01 . 1 . . . . . . . . 6429 1 560 . 1 1 125 125 ASP N N 15 118.1 0.1 . 1 . . . . . . . . 6429 1 561 . 1 1 125 125 ASP CA C 13 57.1 0.2 . 1 . . . . . . . . 6429 1 562 . 1 1 125 125 ASP CB C 13 39.1 0.2 . 1 . . . . . . . . 6429 1 563 . 1 1 125 125 ASP C C 13 179.9 0.1 . 1 . . . . . . . . 6429 1 564 . 1 1 126 126 ARG H H 1 7.59 0.01 . 1 . . . . . . . . 6429 1 565 . 1 1 126 126 ARG N N 15 120.9 0.1 . 1 . . . . . . . . 6429 1 566 . 1 1 126 126 ARG CA C 13 60.3 0.2 . 1 . . . . . . . . 6429 1 567 . 1 1 126 126 ARG CB C 13 28.9 0.2 . 1 . . . . . . . . 6429 1 568 . 1 1 126 126 ARG C C 13 178.8 0.1 . 1 . . . . . . . . 6429 1 569 . 1 1 127 127 VAL H H 1 7.81 0.01 . 1 . . . . . . . . 6429 1 570 . 1 1 127 127 VAL N N 15 120.1 0.1 . 1 . . . . . . . . 6429 1 571 . 1 1 127 127 VAL CA C 13 66.6 0.2 . 1 . . . . . . . . 6429 1 572 . 1 1 127 127 VAL CB C 13 29.6 0.2 . 1 . . . . . . . . 6429 1 573 . 1 1 127 127 VAL C C 13 179.1 0.1 . 1 . . . . . . . . 6429 1 574 . 1 1 128 128 LEU H H 1 8.00 0.01 . 1 . . . . . . . . 6429 1 575 . 1 1 128 128 LEU N N 15 118.6 0.1 . 1 . . . . . . . . 6429 1 576 . 1 1 128 128 LEU CA C 13 57.8 0.2 . 1 . . . . . . . . 6429 1 577 . 1 1 128 128 LEU CB C 13 40.2 0.2 . 1 . . . . . . . . 6429 1 578 . 1 1 128 128 LEU C C 13 179.3 0.1 . 1 . . . . . . . . 6429 1 579 . 1 1 129 129 THR H H 1 8.57 0.01 . 1 . . . . . . . . 6429 1 580 . 1 1 129 129 THR N N 15 114.3 0.1 . 1 . . . . . . . . 6429 1 581 . 1 1 129 129 THR CA C 13 65.1 0.2 . 1 . . . . . . . . 6429 1 582 . 1 1 129 129 THR CB C 13 69.3 0.2 . 1 . . . . . . . . 6429 1 583 . 1 1 129 129 THR C C 13 176.0 0.1 . 1 . . . . . . . . 6429 1 584 . 1 1 130 130 GLU H H 1 8.76 0.01 . 1 . . . . . . . . 6429 1 585 . 1 1 130 130 GLU N N 15 118.8 0.1 . 1 . . . . . . . . 6429 1 586 . 1 1 130 130 GLU CA C 13 57.2 0.2 . 1 . . . . . . . . 6429 1 587 . 1 1 130 130 GLU CB C 13 32.6 0.2 . 1 . . . . . . . . 6429 1 588 . 1 1 130 130 GLU C C 13 176.6 0.1 . 1 . . . . . . . . 6429 1 589 . 1 1 131 131 LEU H H 1 6.94 0.01 . 1 . . . . . . . . 6429 1 590 . 1 1 131 131 LEU N N 15 113.1 0.1 . 1 . . . . . . . . 6429 1 591 . 1 1 131 131 LEU CA C 13 55.4 0.2 . 1 . . . . . . . . 6429 1 592 . 1 1 131 131 LEU CB C 13 41.6 0.2 . 1 . . . . . . . . 6429 1 593 . 1 1 131 131 LEU C C 13 176.3 0.1 . 1 . . . . . . . . 6429 1 594 . 1 1 132 132 VAL H H 1 8.34 0.01 . 1 . . . . . . . . 6429 1 595 . 1 1 132 132 VAL N N 15 119.9 0.1 . 1 . . . . . . . . 6429 1 596 . 1 1 132 132 VAL CA C 13 67.3 0.2 . 1 . . . . . . . . 6429 1 597 . 1 1 132 132 VAL CB C 13 31.1 0.2 . 1 . . . . . . . . 6429 1 598 . 1 1 132 132 VAL C C 13 178.9 0.1 . 1 . . . . . . . . 6429 1 599 . 1 1 133 133 SER H H 1 8.66 0.01 . 1 . . . . . . . . 6429 1 600 . 1 1 133 133 SER N N 15 111.6 0.1 . 1 . . . . . . . . 6429 1 601 . 1 1 133 133 SER CA C 13 61.5 0.2 . 1 . . . . . . . . 6429 1 602 . 1 1 133 133 SER CB C 13 62.0 0.2 . 1 . . . . . . . . 6429 1 603 . 1 1 133 133 SER C C 13 176.0 0.1 . 1 . . . . . . . . 6429 1 604 . 1 1 134 134 LYS H H 1 6.07 0.01 . 1 . . . . . . . . 6429 1 605 . 1 1 134 134 LYS N N 15 117.6 0.1 . 1 . . . . . . . . 6429 1 606 . 1 1 134 134 LYS CA C 13 56.9 0.2 . 1 . . . . . . . . 6429 1 607 . 1 1 134 134 LYS CB C 13 30.0 0.2 . 1 . . . . . . . . 6429 1 608 . 1 1 134 134 LYS C C 13 179.6 0.1 . 1 . . . . . . . . 6429 1 609 . 1 1 135 135 MET H H 1 8.39 0.01 . 1 . . . . . . . . 6429 1 610 . 1 1 135 135 MET N N 15 119.8 0.1 . 1 . . . . . . . . 6429 1 611 . 1 1 135 135 MET CA C 13 60.0 0.2 . 1 . . . . . . . . 6429 1 612 . 1 1 135 135 MET CB C 13 31.1 0.2 . 1 . . . . . . . . 6429 1 613 . 1 1 135 135 MET C C 13 177.6 0.1 . 1 . . . . . . . . 6429 1 614 . 1 1 136 136 ARG H H 1 8.45 0.01 . 1 . . . . . . . . 6429 1 615 . 1 1 136 136 ARG N N 15 120.0 0.1 . 1 . . . . . . . . 6429 1 616 . 1 1 136 136 ARG CA C 13 58.9 0.2 . 1 . . . . . . . . 6429 1 617 . 1 1 136 136 ARG CB C 13 29.1 0.2 . 1 . . . . . . . . 6429 1 618 . 1 1 136 136 ARG C C 13 180.1 0.1 . 1 . . . . . . . . 6429 1 619 . 1 1 137 137 ASP H H 1 8.53 0.01 . 1 . . . . . . . . 6429 1 620 . 1 1 137 137 ASP N N 15 121.6 0.1 . 1 . . . . . . . . 6429 1 621 . 1 1 137 137 ASP CA C 13 57.0 0.2 . 1 . . . . . . . . 6429 1 622 . 1 1 137 137 ASP CB C 13 39.9 0.2 . 1 . . . . . . . . 6429 1 623 . 1 1 137 137 ASP C C 13 177.9 0.1 . 1 . . . . . . . . 6429 1 624 . 1 1 138 138 MET H H 1 7.39 0.01 . 1 . . . . . . . . 6429 1 625 . 1 1 138 138 MET N N 15 113.7 0.1 . 1 . . . . . . . . 6429 1 626 . 1 1 138 138 MET CA C 13 55.0 0.2 . 1 . . . . . . . . 6429 1 627 . 1 1 138 138 MET CB C 13 33.4 0.2 . 1 . . . . . . . . 6429 1 628 . 1 1 138 138 MET C C 13 175.1 0.1 . 1 . . . . . . . . 6429 1 629 . 1 1 139 139 GLN H H 1 7.87 0.01 . 1 . . . . . . . . 6429 1 630 . 1 1 139 139 GLN N N 15 120.0 0.1 . 1 . . . . . . . . 6429 1 631 . 1 1 139 139 GLN CA C 13 55.9 0.2 . 1 . . . . . . . . 6429 1 632 . 1 1 139 139 GLN CB C 13 25.3 0.2 . 1 . . . . . . . . 6429 1 633 . 1 1 139 139 GLN C C 13 176.1 0.1 . 1 . . . . . . . . 6429 1 634 . 1 1 140 140 MET H H 1 7.90 0.01 . 1 . . . . . . . . 6429 1 635 . 1 1 140 140 MET N N 15 119.8 0.1 . 1 . . . . . . . . 6429 1 636 . 1 1 140 140 MET CA C 13 56.5 0.2 . 1 . . . . . . . . 6429 1 637 . 1 1 140 140 MET CB C 13 34.0 0.2 . 1 . . . . . . . . 6429 1 638 . 1 1 140 140 MET C C 13 177.2 0.1 . 1 . . . . . . . . 6429 1 639 . 1 1 141 141 ASP H H 1 10.56 0.01 . 1 . . . . . . . . 6429 1 640 . 1 1 141 141 ASP N N 15 136.6 0.1 . 1 . . . . . . . . 6429 1 641 . 1 1 141 141 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 6429 1 642 . 1 1 141 141 ASP CB C 13 41.4 0.2 . 1 . . . . . . . . 6429 1 643 . 1 1 141 141 ASP C C 13 176.4 0.1 . 1 . . . . . . . . 6429 1 644 . 1 1 142 142 LYS H H 1 8.39 0.01 . 1 . . . . . . . . 6429 1 645 . 1 1 142 142 LYS N N 15 115.9 0.1 . 1 . . . . . . . . 6429 1 646 . 1 1 142 142 LYS CA C 13 59.0 0.2 . 1 . . . . . . . . 6429 1 647 . 1 1 142 142 LYS CB C 13 31.7 0.2 . 1 . . . . . . . . 6429 1 648 . 1 1 142 142 LYS C C 13 179.1 0.1 . 1 . . . . . . . . 6429 1 649 . 1 1 143 143 THR H H 1 8.13 0.01 . 1 . . . . . . . . 6429 1 650 . 1 1 143 143 THR N N 15 120.5 0.1 . 1 . . . . . . . . 6429 1 651 . 1 1 143 143 THR CA C 13 67.4 0.2 . 1 . . . . . . . . 6429 1 652 . 1 1 143 143 THR CB C 13 70.6 0.2 . 1 . . . . . . . . 6429 1 653 . 1 1 143 143 THR C C 13 176.5 0.1 . 1 . . . . . . . . 6429 1 654 . 1 1 144 144 GLU H H 1 8.80 0.01 . 1 . . . . . . . . 6429 1 655 . 1 1 144 144 GLU N N 15 124.9 0.1 . 1 . . . . . . . . 6429 1 656 . 1 1 144 144 GLU CA C 13 59.7 0.2 . 1 . . . . . . . . 6429 1 657 . 1 1 144 144 GLU CB C 13 29.5 0.2 . 1 . . . . . . . . 6429 1 658 . 1 1 144 144 GLU C C 13 178.7 0.1 . 1 . . . . . . . . 6429 1 659 . 1 1 145 145 LEU H H 1 8.05 0.01 . 1 . . . . . . . . 6429 1 660 . 1 1 145 145 LEU N N 15 118.6 0.1 . 1 . . . . . . . . 6429 1 661 . 1 1 145 145 LEU CA C 13 57.0 0.2 . 1 . . . . . . . . 6429 1 662 . 1 1 145 145 LEU CB C 13 39.3 0.2 . 1 . . . . . . . . 6429 1 663 . 1 1 145 145 LEU C C 13 178.9 0.1 . 1 . . . . . . . . 6429 1 664 . 1 1 146 146 GLY H H 1 8.09 0.01 . 1 . . . . . . . . 6429 1 665 . 1 1 146 146 GLY N N 15 106.9 0.1 . 1 . . . . . . . . 6429 1 666 . 1 1 146 146 GLY CA C 13 47.2 0.2 . 1 . . . . . . . . 6429 1 667 . 1 1 146 146 GLY C C 13 176.2 0.1 . 1 . . . . . . . . 6429 1 668 . 1 1 147 147 CYS H H 1 8.36 0.01 . 1 . . . . . . . . 6429 1 669 . 1 1 147 147 CYS N N 15 118.8 0.1 . 1 . . . . . . . . 6429 1 670 . 1 1 147 147 CYS CA C 13 63.9 0.2 . 1 . . . . . . . . 6429 1 671 . 1 1 147 147 CYS CB C 13 28.9 0.2 . 1 . . . . . . . . 6429 1 672 . 1 1 147 147 CYS C C 13 177.0 0.1 . 1 . . . . . . . . 6429 1 673 . 1 1 148 148 LEU H H 1 8.46 0.01 . 1 . . . . . . . . 6429 1 674 . 1 1 148 148 LEU N N 15 121.1 0.1 . 1 . . . . . . . . 6429 1 675 . 1 1 148 148 LEU CA C 13 58.2 0.2 . 1 . . . . . . . . 6429 1 676 . 1 1 148 148 LEU CB C 13 40.5 0.2 . 1 . . . . . . . . 6429 1 677 . 1 1 148 148 LEU C C 13 179.2 0.1 . 1 . . . . . . . . 6429 1 678 . 1 1 149 149 ARG H H 1 8.56 0.01 . 1 . . . . . . . . 6429 1 679 . 1 1 149 149 ARG N N 15 117.2 0.1 . 1 . . . . . . . . 6429 1 680 . 1 1 149 149 ARG CA C 13 61.1 0.2 . 1 . . . . . . . . 6429 1 681 . 1 1 149 149 ARG CB C 13 28.9 0.2 . 1 . . . . . . . . 6429 1 682 . 1 1 149 149 ARG C C 13 177.6 0.1 . 1 . . . . . . . . 6429 1 683 . 1 1 150 150 ALA H H 1 8.62 0.01 . 1 . . . . . . . . 6429 1 684 . 1 1 150 150 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 6429 1 685 . 1 1 150 150 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 6429 1 686 . 1 1 150 150 ALA CB C 13 17.6 0.2 . 1 . . . . . . . . 6429 1 687 . 1 1 150 150 ALA C C 13 178.4 0.1 . 1 . . . . . . . . 6429 1 688 . 1 1 151 151 ILE H H 1 8.27 0.01 . 1 . . . . . . . . 6429 1 689 . 1 1 151 151 ILE N N 15 120.1 0.1 . 1 . . . . . . . . 6429 1 690 . 1 1 151 151 ILE CA C 13 66.6 0.2 . 1 . . . . . . . . 6429 1 691 . 1 1 151 151 ILE CB C 13 37.3 0.2 . 1 . . . . . . . . 6429 1 692 . 1 1 151 151 ILE C C 13 178.5 0.1 . 1 . . . . . . . . 6429 1 693 . 1 1 152 152 VAL H H 1 8.72 0.01 . 1 . . . . . . . . 6429 1 694 . 1 1 152 152 VAL N N 15 109.6 0.1 . 1 . . . . . . . . 6429 1 695 . 1 1 152 152 VAL CA C 13 65.6 0.2 . 1 . . . . . . . . 6429 1 696 . 1 1 152 152 VAL C C 13 176.3 0.1 . 1 . . . . . . . . 6429 1 697 . 1 1 153 153 LEU H H 1 7.93 0.01 . 1 . . . . . . . . 6429 1 698 . 1 1 153 153 LEU N N 15 123.1 0.1 . 1 . . . . . . . . 6429 1 699 . 1 1 153 153 LEU CA C 13 57.7 0.2 . 1 . . . . . . . . 6429 1 700 . 1 1 153 153 LEU CB C 13 41.0 0.2 . 1 . . . . . . . . 6429 1 701 . 1 1 153 153 LEU C C 13 178.6 0.1 . 1 . . . . . . . . 6429 1 702 . 1 1 154 154 PHE H H 1 7.19 0.01 . 1 . . . . . . . . 6429 1 703 . 1 1 154 154 PHE N N 15 115.2 0.1 . 1 . . . . . . . . 6429 1 704 . 1 1 154 154 PHE CA C 13 56.9 0.2 . 1 . . . . . . . . 6429 1 705 . 1 1 154 154 PHE CB C 13 39.8 0.2 . 1 . . . . . . . . 6429 1 706 . 1 1 154 154 PHE C C 13 181.3 0.1 . 1 . . . . . . . . 6429 1 707 . 1 1 155 155 ASN H H 1 8.19 0.01 . 1 . . . . . . . . 6429 1 708 . 1 1 155 155 ASN N N 15 119.0 0.1 . 1 . . . . . . . . 6429 1 709 . 1 1 155 155 ASN CA C 13 55.7 0.2 . 1 . . . . . . . . 6429 1 710 . 1 1 155 155 ASN CB C 13 39.3 0.2 . 1 . . . . . . . . 6429 1 711 . 1 1 155 155 ASN C C 13 177.4 0.1 . 1 . . . . . . . . 6429 1 712 . 1 1 156 156 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 6429 1 713 . 1 1 156 156 PRO CB C 13 31.7 0.2 . 1 . . . . . . . . 6429 1 714 . 1 1 156 156 PRO C C 13 175.7 0.1 . 1 . . . . . . . . 6429 1 715 . 1 1 157 157 ASP H H 1 7.79 0.01 . 1 . . . . . . . . 6429 1 716 . 1 1 157 157 ASP N N 15 119.4 0.1 . 1 . . . . . . . . 6429 1 717 . 1 1 157 157 ASP CA C 13 54.3 0.2 . 1 . . . . . . . . 6429 1 718 . 1 1 157 157 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 6429 1 719 . 1 1 157 157 ASP C C 13 176.6 0.1 . 1 . . . . . . . . 6429 1 720 . 1 1 158 158 SER H H 1 6.96 0.01 . 1 . . . . . . . . 6429 1 721 . 1 1 158 158 SER N N 15 117.6 0.1 . 1 . . . . . . . . 6429 1 722 . 1 1 158 158 SER CA C 13 59.6 0.2 . 1 . . . . . . . . 6429 1 723 . 1 1 158 158 SER CB C 13 62.8 0.2 . 1 . . . . . . . . 6429 1 724 . 1 1 158 158 SER C C 13 174.0 0.1 . 1 . . . . . . . . 6429 1 725 . 1 1 159 159 LYS H H 1 8.62 0.01 . 1 . . . . . . . . 6429 1 726 . 1 1 159 159 LYS N N 15 128.4 0.1 . 1 . . . . . . . . 6429 1 727 . 1 1 159 159 LYS CA C 13 57.0 0.2 . 1 . . . . . . . . 6429 1 728 . 1 1 159 159 LYS CB C 13 31.2 0.2 . 1 . . . . . . . . 6429 1 729 . 1 1 159 159 LYS C C 13 177.7 0.1 . 1 . . . . . . . . 6429 1 730 . 1 1 160 160 GLY H H 1 8.78 0.01 . 1 . . . . . . . . 6429 1 731 . 1 1 160 160 GLY N N 15 111.3 0.1 . 1 . . . . . . . . 6429 1 732 . 1 1 160 160 GLY CA C 13 44.2 0.2 . 1 . . . . . . . . 6429 1 733 . 1 1 160 160 GLY C C 13 174.8 0.1 . 1 . . . . . . . . 6429 1 734 . 1 1 161 161 LEU H H 1 6.73 0.01 . 1 . . . . . . . . 6429 1 735 . 1 1 161 161 LEU N N 15 119.6 0.1 . 1 . . . . . . . . 6429 1 736 . 1 1 161 161 LEU CA C 13 54.6 0.2 . 1 . . . . . . . . 6429 1 737 . 1 1 161 161 LEU CB C 13 41.9 0.2 . 1 . . . . . . . . 6429 1 738 . 1 1 161 161 LEU C C 13 178.3 0.1 . 1 . . . . . . . . 6429 1 739 . 1 1 162 162 SER H H 1 10.89 0.01 . 1 . . . . . . . . 6429 1 740 . 1 1 162 162 SER N N 15 123.6 0.1 . 1 . . . . . . . . 6429 1 741 . 1 1 162 162 SER CA C 13 60.7 0.2 . 1 . . . . . . . . 6429 1 742 . 1 1 162 162 SER CB C 13 62.2 0.2 . 1 . . . . . . . . 6429 1 743 . 1 1 162 162 SER C C 13 176.5 0.1 . 1 . . . . . . . . 6429 1 744 . 1 1 163 163 ASN H H 1 8.36 0.01 . 1 . . . . . . . . 6429 1 745 . 1 1 163 163 ASN N N 15 118.8 0.1 . 1 . . . . . . . . 6429 1 746 . 1 1 163 163 ASN CA C 13 50.7 0.2 . 1 . . . . . . . . 6429 1 747 . 1 1 163 163 ASN CB C 13 37.2 0.2 . 1 . . . . . . . . 6429 1 748 . 1 1 163 163 ASN C C 13 173.3 0.1 . 1 . . . . . . . . 6429 1 749 . 1 1 164 164 PRO CA C 13 65.2 0.2 . 1 . . . . . . . . 6429 1 750 . 1 1 164 164 PRO CB C 13 30.8 0.2 . 1 . . . . . . . . 6429 1 751 . 1 1 164 164 PRO C C 13 177.8 0.1 . 1 . . . . . . . . 6429 1 752 . 1 1 165 165 ALA H H 1 7.99 0.01 . 1 . . . . . . . . 6429 1 753 . 1 1 165 165 ALA N N 15 120.1 0.1 . 1 . . . . . . . . 6429 1 754 . 1 1 165 165 ALA CA C 13 54.8 0.2 . 1 . . . . . . . . 6429 1 755 . 1 1 165 165 ALA CB C 13 17.2 0.2 . 1 . . . . . . . . 6429 1 756 . 1 1 165 165 ALA C C 13 181.2 0.1 . 1 . . . . . . . . 6429 1 757 . 1 1 166 166 GLU H H 1 7.49 0.01 . 1 . . . . . . . . 6429 1 758 . 1 1 166 166 GLU N N 15 120.4 0.1 . 1 . . . . . . . . 6429 1 759 . 1 1 166 166 GLU CA C 13 58.1 0.2 . 1 . . . . . . . . 6429 1 760 . 1 1 166 166 GLU CB C 13 28.7 0.2 . 1 . . . . . . . . 6429 1 761 . 1 1 166 166 GLU C C 13 178.8 0.1 . 1 . . . . . . . . 6429 1 762 . 1 1 167 167 VAL H H 1 6.96 0.01 . 1 . . . . . . . . 6429 1 763 . 1 1 167 167 VAL N N 15 119.7 0.1 . 1 . . . . . . . . 6429 1 764 . 1 1 167 167 VAL CA C 13 66.6 0.2 . 1 . . . . . . . . 6429 1 765 . 1 1 167 167 VAL CB C 13 30.6 0.2 . 1 . . . . . . . . 6429 1 766 . 1 1 167 167 VAL C C 13 177.4 0.1 . 1 . . . . . . . . 6429 1 767 . 1 1 168 168 GLU H H 1 8.47 0.01 . 1 . . . . . . . . 6429 1 768 . 1 1 168 168 GLU N N 15 121.6 0.1 . 1 . . . . . . . . 6429 1 769 . 1 1 168 168 GLU CA C 13 59.3 0.2 . 1 . . . . . . . . 6429 1 770 . 1 1 168 168 GLU CB C 13 28.6 0.2 . 1 . . . . . . . . 6429 1 771 . 1 1 168 168 GLU C C 13 178.0 0.1 . 1 . . . . . . . . 6429 1 772 . 1 1 169 169 ALA H H 1 7.72 0.01 . 1 . . . . . . . . 6429 1 773 . 1 1 169 169 ALA N N 15 121.3 0.1 . 1 . . . . . . . . 6429 1 774 . 1 1 169 169 ALA CA C 13 54.6 0.2 . 1 . . . . . . . . 6429 1 775 . 1 1 169 169 ALA CB C 13 17.1 0.2 . 1 . . . . . . . . 6429 1 776 . 1 1 169 169 ALA C C 13 180.8 0.1 . 1 . . . . . . . . 6429 1 777 . 1 1 170 170 LEU H H 1 7.39 0.01 . 1 . . . . . . . . 6429 1 778 . 1 1 170 170 LEU N N 15 120.2 0.1 . 1 . . . . . . . . 6429 1 779 . 1 1 170 170 LEU CA C 13 57.5 0.2 . 1 . . . . . . . . 6429 1 780 . 1 1 170 170 LEU CB C 13 38.5 0.2 . 1 . . . . . . . . 6429 1 781 . 1 1 170 170 LEU C C 13 178.4 0.1 . 1 . . . . . . . . 6429 1 782 . 1 1 171 171 ARG H H 1 8.07 0.01 . 1 . . . . . . . . 6429 1 783 . 1 1 171 171 ARG N N 15 120.7 0.1 . 1 . . . . . . . . 6429 1 784 . 1 1 171 171 ARG CA C 13 60.2 0.2 . 1 . . . . . . . . 6429 1 785 . 1 1 171 171 ARG CB C 13 29.4 0.2 . 1 . . . . . . . . 6429 1 786 . 1 1 171 171 ARG C C 13 177.1 0.1 . 1 . . . . . . . . 6429 1 787 . 1 1 172 172 GLU H H 1 7.95 0.01 . 1 . . . . . . . . 6429 1 788 . 1 1 172 172 GLU N N 15 118.1 0.1 . 1 . . . . . . . . 6429 1 789 . 1 1 172 172 GLU CA C 13 57.3 0.2 . 1 . . . . . . . . 6429 1 790 . 1 1 172 172 GLU CB C 13 29.9 0.2 . 1 . . . . . . . . 6429 1 791 . 1 1 172 172 GLU C C 13 178.3 0.1 . 1 . . . . . . . . 6429 1 792 . 1 1 173 173 LYS H H 1 7.48 0.01 . 1 . . . . . . . . 6429 1 793 . 1 1 173 173 LYS N N 15 119.0 0.1 . 1 . . . . . . . . 6429 1 794 . 1 1 173 173 LYS CA C 13 59.0 0.2 . 1 . . . . . . . . 6429 1 795 . 1 1 173 173 LYS CB C 13 31.8 0.2 . 1 . . . . . . . . 6429 1 796 . 1 1 173 173 LYS C C 13 180.2 0.1 . 1 . . . . . . . . 6429 1 797 . 1 1 174 174 VAL H H 1 7.88 0.01 . 1 . . . . . . . . 6429 1 798 . 1 1 174 174 VAL N N 15 118.2 0.1 . 1 . . . . . . . . 6429 1 799 . 1 1 174 174 VAL CA C 13 66.7 0.2 . 1 . . . . . . . . 6429 1 800 . 1 1 174 174 VAL CB C 13 30.8 0.2 . 1 . . . . . . . . 6429 1 801 . 1 1 174 174 VAL C C 13 178.6 0.1 . 1 . . . . . . . . 6429 1 802 . 1 1 175 175 TYR H H 1 8.78 0.01 . 1 . . . . . . . . 6429 1 803 . 1 1 175 175 TYR N N 15 117.6 0.1 . 1 . . . . . . . . 6429 1 804 . 1 1 175 175 TYR CA C 13 60.4 0.2 . 1 . . . . . . . . 6429 1 805 . 1 1 175 175 TYR CB C 13 35.9 0.2 . 1 . . . . . . . . 6429 1 806 . 1 1 175 175 TYR C C 13 178.0 0.1 . 1 . . . . . . . . 6429 1 807 . 1 1 176 176 ALA H H 1 8.56 0.01 . 1 . . . . . . . . 6429 1 808 . 1 1 176 176 ALA N N 15 127.3 0.1 . 1 . . . . . . . . 6429 1 809 . 1 1 176 176 ALA CA C 13 55.0 0.2 . 1 . . . . . . . . 6429 1 810 . 1 1 176 176 ALA CB C 13 17.2 0.2 . 1 . . . . . . . . 6429 1 811 . 1 1 176 176 ALA C C 13 181.5 0.1 . 1 . . . . . . . . 6429 1 812 . 1 1 177 177 SER H H 1 7.80 0.01 . 1 . . . . . . . . 6429 1 813 . 1 1 177 177 SER N N 15 117.9 0.1 . 1 . . . . . . . . 6429 1 814 . 1 1 177 177 SER CA C 13 61.3 0.2 . 1 . . . . . . . . 6429 1 815 . 1 1 177 177 SER CB C 13 62.4 0.2 . 1 . . . . . . . . 6429 1 816 . 1 1 177 177 SER C C 13 177.6 0.1 . 1 . . . . . . . . 6429 1 817 . 1 1 178 178 LEU H H 1 9.08 0.01 . 1 . . . . . . . . 6429 1 818 . 1 1 178 178 LEU N N 15 124.7 0.1 . 1 . . . . . . . . 6429 1 819 . 1 1 178 178 LEU CA C 13 57.7 0.2 . 1 . . . . . . . . 6429 1 820 . 1 1 178 178 LEU CB C 13 40.7 0.2 . 1 . . . . . . . . 6429 1 821 . 1 1 178 178 LEU C C 13 177.0 0.1 . 1 . . . . . . . . 6429 1 822 . 1 1 179 179 GLU H H 1 8.46 0.01 . 1 . . . . . . . . 6429 1 823 . 1 1 179 179 GLU N N 15 121.1 0.1 . 1 . . . . . . . . 6429 1 824 . 1 1 179 179 GLU CA C 13 60.5 0.2 . 1 . . . . . . . . 6429 1 825 . 1 1 179 179 GLU CB C 13 27.5 0.2 . 1 . . . . . . . . 6429 1 826 . 1 1 179 179 GLU C C 13 178.2 0.1 . 1 . . . . . . . . 6429 1 827 . 1 1 180 180 ALA H H 1 7.43 0.01 . 1 . . . . . . . . 6429 1 828 . 1 1 180 180 ALA N N 15 119.2 0.1 . 1 . . . . . . . . 6429 1 829 . 1 1 180 180 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 6429 1 830 . 1 1 180 180 ALA CB C 13 17.2 0.2 . 1 . . . . . . . . 6429 1 831 . 1 1 180 180 ALA C C 13 180.4 0.1 . 1 . . . . . . . . 6429 1 832 . 1 1 181 181 TYR H H 1 8.17 0.01 . 1 . . . . . . . . 6429 1 833 . 1 1 181 181 TYR N N 15 121.2 0.1 . 1 . . . . . . . . 6429 1 834 . 1 1 181 181 TYR CA C 13 61.3 0.2 . 1 . . . . . . . . 6429 1 835 . 1 1 181 181 TYR CB C 13 37.3 0.2 . 1 . . . . . . . . 6429 1 836 . 1 1 181 181 TYR C C 13 177.7 0.1 . 1 . . . . . . . . 6429 1 837 . 1 1 182 182 CYS H H 1 9.25 0.01 . 1 . . . . . . . . 6429 1 838 . 1 1 182 182 CYS N N 15 119.8 0.1 . 1 . . . . . . . . 6429 1 839 . 1 1 182 182 CYS CA C 13 64.8 0.2 . 1 . . . . . . . . 6429 1 840 . 1 1 182 182 CYS CB C 13 26.8 0.2 . 1 . . . . . . . . 6429 1 841 . 1 1 182 182 CYS C C 13 178.5 0.1 . 1 . . . . . . . . 6429 1 842 . 1 1 183 183 LYS H H 1 8.31 0.01 . 1 . . . . . . . . 6429 1 843 . 1 1 183 183 LYS N N 15 119.7 0.1 . 1 . . . . . . . . 6429 1 844 . 1 1 183 183 LYS CA C 13 58.8 0.2 . 1 . . . . . . . . 6429 1 845 . 1 1 183 183 LYS CB C 13 31.5 0.2 . 1 . . . . . . . . 6429 1 846 . 1 1 183 183 LYS C C 13 177.5 0.1 . 1 . . . . . . . . 6429 1 847 . 1 1 184 184 HIS H H 1 7.52 0.01 . 1 . . . . . . . . 6429 1 848 . 1 1 184 184 HIS N N 15 117.2 0.1 . 1 . . . . . . . . 6429 1 849 . 1 1 184 184 HIS CA C 13 57.7 0.2 . 1 . . . . . . . . 6429 1 850 . 1 1 184 184 HIS CB C 13 30.3 0.2 . 1 . . . . . . . . 6429 1 851 . 1 1 184 184 HIS C C 13 176.9 0.1 . 1 . . . . . . . . 6429 1 852 . 1 1 185 185 LYS H H 1 8.31 0.01 . 1 . . . . . . . . 6429 1 853 . 1 1 185 185 LYS N N 15 119.7 0.1 . 1 . . . . . . . . 6429 1 854 . 1 1 185 185 LYS CA C 13 56.1 0.2 . 1 . . . . . . . . 6429 1 855 . 1 1 185 185 LYS CB C 13 31.4 0.2 . 1 . . . . . . . . 6429 1 856 . 1 1 185 185 LYS C C 13 176.3 0.1 . 1 . . . . . . . . 6429 1 857 . 1 1 186 186 TYR H H 1 7.74 0.01 . 1 . . . . . . . . 6429 1 858 . 1 1 186 186 TYR N N 15 115.7 0.1 . 1 . . . . . . . . 6429 1 859 . 1 1 186 186 TYR CA C 13 53.9 0.2 . 1 . . . . . . . . 6429 1 860 . 1 1 186 186 TYR CB C 13 37.5 0.2 . 1 . . . . . . . . 6429 1 861 . 1 1 186 186 TYR C C 13 174.6 0.1 . 1 . . . . . . . . 6429 1 862 . 1 1 187 187 PRO CA C 13 64.6 0.2 . 1 . . . . . . . . 6429 1 863 . 1 1 187 187 PRO CB C 13 30.6 0.2 . 1 . . . . . . . . 6429 1 864 . 1 1 187 187 PRO C C 13 178.5 0.1 . 1 . . . . . . . . 6429 1 865 . 1 1 188 188 GLU H H 1 9.31 0.01 . 1 . . . . . . . . 6429 1 866 . 1 1 188 188 GLU N N 15 118.5 0.1 . 1 . . . . . . . . 6429 1 867 . 1 1 188 188 GLU CA C 13 55.9 0.2 . 1 . . . . . . . . 6429 1 868 . 1 1 188 188 GLU CB C 13 27.5 0.2 . 1 . . . . . . . . 6429 1 869 . 1 1 188 188 GLU C C 13 175.4 0.1 . 1 . . . . . . . . 6429 1 870 . 1 1 189 189 GLN H H 1 7.78 0.01 . 1 . . . . . . . . 6429 1 871 . 1 1 189 189 GLN N N 15 120.2 0.1 . 1 . . . . . . . . 6429 1 872 . 1 1 189 189 GLN CA C 13 52.3 0.2 . 1 . . . . . . . . 6429 1 873 . 1 1 189 189 GLN CB C 13 29.5 0.2 . 1 . . . . . . . . 6429 1 874 . 1 1 189 189 GLN C C 13 174.0 0.1 . 1 . . . . . . . . 6429 1 875 . 1 1 191 191 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 6429 1 876 . 1 1 191 191 GLY C C 13 174.5 0.1 . 1 . . . . . . . . 6429 1 877 . 1 1 192 192 ARG H H 1 7.68 0.01 . 1 . . . . . . . . 6429 1 878 . 1 1 192 192 ARG N N 15 124.2 0.1 . 1 . . . . . . . . 6429 1 879 . 1 1 192 192 ARG CA C 13 60.1 0.2 . 1 . . . . . . . . 6429 1 880 . 1 1 192 192 ARG CB C 13 30.6 0.2 . 1 . . . . . . . . 6429 1 881 . 1 1 192 192 ARG C C 13 176.8 0.1 . 1 . . . . . . . . 6429 1 882 . 1 1 193 193 PHE H H 1 8.92 0.01 . 1 . . . . . . . . 6429 1 883 . 1 1 193 193 PHE N N 15 118.7 0.1 . 1 . . . . . . . . 6429 1 884 . 1 1 193 193 PHE CA C 13 59.9 0.2 . 1 . . . . . . . . 6429 1 885 . 1 1 193 193 PHE CB C 13 38.5 0.2 . 1 . . . . . . . . 6429 1 886 . 1 1 193 193 PHE C C 13 176.3 0.1 . 1 . . . . . . . . 6429 1 887 . 1 1 194 194 ALA H H 1 7.98 0.01 . 1 . . . . . . . . 6429 1 888 . 1 1 194 194 ALA N N 15 120.0 0.1 . 1 . . . . . . . . 6429 1 889 . 1 1 194 194 ALA CA C 13 54.3 0.2 . 1 . . . . . . . . 6429 1 890 . 1 1 194 194 ALA CB C 13 17.2 0.2 . 1 . . . . . . . . 6429 1 891 . 1 1 194 194 ALA C C 13 178.4 0.1 . 1 . . . . . . . . 6429 1 892 . 1 1 195 195 LYS H H 1 7.60 0.01 . 1 . . . . . . . . 6429 1 893 . 1 1 195 195 LYS N N 15 117.6 0.1 . 1 . . . . . . . . 6429 1 894 . 1 1 195 195 LYS CA C 13 59.8 0.2 . 1 . . . . . . . . 6429 1 895 . 1 1 195 195 LYS CB C 13 31.5 0.2 . 1 . . . . . . . . 6429 1 896 . 1 1 195 195 LYS C C 13 180.3 0.1 . 1 . . . . . . . . 6429 1 897 . 1 1 196 196 LEU H H 1 7.99 0.01 . 1 . . . . . . . . 6429 1 898 . 1 1 196 196 LEU N N 15 118.6 0.1 . 1 . . . . . . . . 6429 1 899 . 1 1 196 196 LEU CA C 13 57.7 0.2 . 1 . . . . . . . . 6429 1 900 . 1 1 196 196 LEU CB C 13 41.2 0.2 . 1 . . . . . . . . 6429 1 901 . 1 1 196 196 LEU C C 13 178.5 0.1 . 1 . . . . . . . . 6429 1 902 . 1 1 201 201 PRO CA C 13 66.5 0.2 . 1 . . . . . . . . 6429 1 903 . 1 1 201 201 PRO C C 13 177.7 0.1 . 1 . . . . . . . . 6429 1 904 . 1 1 202 202 ALA H H 1 7.26 0.01 . 1 . . . . . . . . 6429 1 905 . 1 1 202 202 ALA N N 15 120.7 0.1 . 1 . . . . . . . . 6429 1 906 . 1 1 202 202 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 6429 1 907 . 1 1 202 202 ALA C C 13 178.9 0.1 . 1 . . . . . . . . 6429 1 908 . 1 1 203 203 LEU H H 1 7.72 0.01 . 1 . . . . . . . . 6429 1 909 . 1 1 203 203 LEU N N 15 118.5 0.1 . 1 . . . . . . . . 6429 1 910 . 1 1 203 203 LEU CA C 13 57.9 0.2 . 1 . . . . . . . . 6429 1 911 . 1 1 203 203 LEU CB C 13 41.6 0.2 . 1 . . . . . . . . 6429 1 912 . 1 1 203 203 LEU C C 13 177.7 0.1 . 1 . . . . . . . . 6429 1 913 . 1 1 204 204 ARG H H 1 7.85 0.01 . 1 . . . . . . . . 6429 1 914 . 1 1 204 204 ARG N N 15 118.7 0.1 . 1 . . . . . . . . 6429 1 915 . 1 1 204 204 ARG CA C 13 56.1 0.2 . 1 . . . . . . . . 6429 1 916 . 1 1 204 204 ARG CB C 13 26.5 0.2 . 1 . . . . . . . . 6429 1 917 . 1 1 204 204 ARG C C 13 178.3 0.1 . 1 . . . . . . . . 6429 1 918 . 1 1 205 205 SER H H 1 8.17 0.01 . 1 . . . . . . . . 6429 1 919 . 1 1 205 205 SER N N 15 114.0 0.1 . 1 . . . . . . . . 6429 1 920 . 1 1 205 205 SER CA C 13 61.1 0.2 . 1 . . . . . . . . 6429 1 921 . 1 1 220 220 ILE CA C 13 59.7 0.2 . 1 . . . . . . . . 6429 1 922 . 1 1 220 220 ILE C C 13 175.7 0.1 . 1 . . . . . . . . 6429 1 923 . 1 1 221 221 GLY H H 1 8.23 0.01 . 1 . . . . . . . . 6429 1 924 . 1 1 221 221 GLY N N 15 111.8 0.1 . 1 . . . . . . . . 6429 1 925 . 1 1 221 221 GLY CA C 13 44.8 0.2 . 1 . . . . . . . . 6429 1 926 . 1 1 221 221 GLY C C 13 173.9 0.1 . 1 . . . . . . . . 6429 1 927 . 1 1 222 222 ASP H H 1 8.31 0.01 . 1 . . . . . . . . 6429 1 928 . 1 1 222 222 ASP N N 15 120.3 0.1 . 1 . . . . . . . . 6429 1 929 . 1 1 222 222 ASP CA C 13 55.0 0.2 . 1 . . . . . . . . 6429 1 930 . 1 1 222 222 ASP CB C 13 40.7 0.2 . 1 . . . . . . . . 6429 1 931 . 1 1 222 222 ASP C C 13 176.8 0.1 . 1 . . . . . . . . 6429 1 932 . 1 1 223 223 THR H H 1 7.98 0.01 . 1 . . . . . . . . 6429 1 933 . 1 1 223 223 THR N N 15 115.9 0.1 . 1 . . . . . . . . 6429 1 934 . 1 1 223 223 THR CA C 13 59.6 0.2 . 1 . . . . . . . . 6429 1 935 . 1 1 223 223 THR CB C 13 69.2 0.2 . 1 . . . . . . . . 6429 1 936 . 1 1 223 223 THR C C 13 173.2 0.1 . 1 . . . . . . . . 6429 1 937 . 1 1 228 228 PHE CA C 13 59.4 0.2 . 1 . . . . . . . . 6429 1 938 . 1 1 228 228 PHE C C 13 177.1 0.1 . 1 . . . . . . . . 6429 1 939 . 1 1 229 229 LEU H H 1 7.98 0.01 . 1 . . . . . . . . 6429 1 940 . 1 1 229 229 LEU N N 15 118.7 0.1 . 1 . . . . . . . . 6429 1 941 . 1 1 229 229 LEU CA C 13 56.9 0.2 . 1 . . . . . . . . 6429 1 942 . 1 1 229 229 LEU CB C 13 41.0 0.2 . 1 . . . . . . . . 6429 1 943 . 1 1 229 229 LEU C C 13 178.4 0.1 . 1 . . . . . . . . 6429 1 944 . 1 1 230 230 MET H H 1 7.85 0.01 . 1 . . . . . . . . 6429 1 945 . 1 1 230 230 MET N N 15 117.6 0.1 . 1 . . . . . . . . 6429 1 946 . 1 1 230 230 MET CA C 13 58.4 0.2 . 1 . . . . . . . . 6429 1 947 . 1 1 230 230 MET CB C 13 31.4 0.2 . 1 . . . . . . . . 6429 1 948 . 1 1 230 230 MET C C 13 178.0 0.1 . 1 . . . . . . . . 6429 1 949 . 1 1 231 231 GLU H H 1 7.97 0.01 . 1 . . . . . . . . 6429 1 950 . 1 1 231 231 GLU N N 15 118.5 0.1 . 1 . . . . . . . . 6429 1 951 . 1 1 231 231 GLU CA C 13 58.5 0.2 . 1 . . . . . . . . 6429 1 952 . 1 1 231 231 GLU CB C 13 28.6 0.2 . 1 . . . . . . . . 6429 1 953 . 1 1 231 231 GLU C C 13 179.3 0.1 . 1 . . . . . . . . 6429 1 954 . 1 1 232 232 MET H H 1 7.73 0.01 . 1 . . . . . . . . 6429 1 955 . 1 1 232 232 MET N N 15 117.0 0.1 . 1 . . . . . . . . 6429 1 956 . 1 1 232 232 MET CA C 13 56.8 0.2 . 1 . . . . . . . . 6429 1 957 . 1 1 232 232 MET CB C 13 32.4 0.2 . 1 . . . . . . . . 6429 1 958 . 1 1 232 232 MET C C 13 178.1 0.1 . 1 . . . . . . . . 6429 1 959 . 1 1 233 233 LEU H H 1 7.90 0.01 . 1 . . . . . . . . 6429 1 960 . 1 1 233 233 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 6429 1 961 . 1 1 233 233 LEU CA C 13 56.2 0.2 . 1 . . . . . . . . 6429 1 962 . 1 1 233 233 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 6429 1 963 . 1 1 233 233 LEU C C 13 177.9 0.1 . 1 . . . . . . . . 6429 1 964 . 1 1 234 234 GLU H H 1 7.79 0.01 . 1 . . . . . . . . 6429 1 965 . 1 1 234 234 GLU N N 15 118.8 0.1 . 1 . . . . . . . . 6429 1 966 . 1 1 234 234 GLU CA C 13 56.5 0.2 . 1 . . . . . . . . 6429 1 967 . 1 1 234 234 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 6429 1 968 . 1 1 234 234 GLU C C 13 176.0 0.1 . 1 . . . . . . . . 6429 1 969 . 1 1 235 235 ALA H H 1 7.68 0.01 . 1 . . . . . . . . 6429 1 970 . 1 1 235 235 ALA N N 15 125.5 0.1 . 1 . . . . . . . . 6429 1 971 . 1 1 235 235 ALA CA C 13 50.6 0.2 . 1 . . . . . . . . 6429 1 972 . 1 1 235 235 ALA CB C 13 17.2 0.2 . 1 . . . . . . . . 6429 1 973 . 1 1 235 235 ALA C C 13 175.7 0.1 . 1 . . . . . . . . 6429 1 974 . 1 1 236 236 PRO CA C 13 62.7 0.2 . 1 . . . . . . . . 6429 1 975 . 1 1 236 236 PRO CB C 13 31.2 0.2 . 1 . . . . . . . . 6429 1 976 . 1 1 236 236 PRO C C 13 177.1 0.1 . 1 . . . . . . . . 6429 1 977 . 1 1 237 237 HIS H H 1 8.25 0.01 . 1 . . . . . . . . 6429 1 978 . 1 1 237 237 HIS N N 15 120.3 0.1 . 1 . . . . . . . . 6429 1 979 . 1 1 237 237 HIS CA C 13 55.7 0.2 . 1 . . . . . . . . 6429 1 980 . 1 1 237 237 HIS CB C 13 30.0 0.2 . 1 . . . . . . . . 6429 1 981 . 1 1 237 237 HIS C C 13 175.3 0.1 . 1 . . . . . . . . 6429 1 982 . 1 1 238 238 GLN H H 1 8.29 0.01 . 1 . . . . . . . . 6429 1 983 . 1 1 238 238 GLN N N 15 122.5 0.1 . 1 . . . . . . . . 6429 1 984 . 1 1 238 238 GLN CA C 13 55.5 0.2 . 1 . . . . . . . . 6429 1 985 . 1 1 238 238 GLN CB C 13 28.9 0.2 . 1 . . . . . . . . 6429 1 986 . 1 1 238 238 GLN C C 13 175.7 0.1 . 1 . . . . . . . . 6429 1 987 . 1 1 239 239 MET H H 1 8.46 0.01 . 1 . . . . . . . . 6429 1 988 . 1 1 239 239 MET N N 15 123.3 0.1 . 1 . . . . . . . . 6429 1 989 . 1 1 239 239 MET CA C 13 55.5 0.2 . 1 . . . . . . . . 6429 1 990 . 1 1 239 239 MET CB C 13 32.0 0.2 . 1 . . . . . . . . 6429 1 991 . 1 1 239 239 MET C C 13 175.7 0.1 . 1 . . . . . . . . 6429 1 992 . 1 1 240 240 THR H H 1 7.72 0.01 . 1 . . . . . . . . 6429 1 993 . 1 1 240 240 THR N N 15 121.1 0.1 . 1 . . . . . . . . 6429 1 994 . 1 1 240 240 THR CA C 13 62.8 0.2 . 1 . . . . . . . . 6429 1 995 . 1 1 240 240 THR CB C 13 70.2 0.2 . 1 . . . . . . . . 6429 1 996 . 1 1 240 240 THR C C 13 179.3 0.1 . 1 . . . . . . . . 6429 1 stop_ save_