data_17976 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17976 _Entry.Title ; PPARgamma LBD complexed with MRL24 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-05 _Entry.Accession_date 2011-10-05 _Entry.Last_release_date 2012-01-18 _Entry.Original_release_date 2012-01-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Ligand binding domain of PPARgamma complexed to MRL24' _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 Douglas Kojetin . . . 17976 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17976 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 512 17976 '15N chemical shifts' 186 17976 '1H chemical shifts' 186 17976 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 . . 2012-01-18 2011-10-05 original author . 17976 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17975 'PPARgamma LBD + rosigliazone' 17976 BMRB 17977 'PPARgamma LBD + MRL20' 17976 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17976 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22244763 _Citation.Full_citation . _Citation.Title 'Ligand and Receptor Dynamics Contribute to the Mechanism of Graded PPAR Agonism.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 20 _Citation.Journal_issue 1 _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 139 _Citation.Page_last 150 _Citation.Year 2012 _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 Travis Hughes . S. . 17976 1 2 Michael Chalmers . J. . 17976 1 3 Scott Novick . . . 17976 1 4 Dana Kuruvilla . S. . 17976 1 5 'Mi Ra' Chang . . . 17976 1 6 Theodore Kamenecka . M. . 17976 1 7 Mark Rance . . . 17976 1 8 Bruce Johnson . A. . 17976 1 9 Thomas Burris . P. . 17976 1 10 Patrick Griffin . R. . 17976 1 11 Douglas Kojetin . J. . 17976 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17976 _Assembly.ID 1 _Assembly.Name 'PPARgamma LBD + MRL24' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PPARgamma_LBD 1 $PPARgamma_LBD A . yes native yes no . . . 17976 1 2 MRL24 2 $241 B . no native no no . . . 17976 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PPARgamma_LBD _Entity.Sf_category entity _Entity.Sf_framecode PPARgamma_LBD _Entity.Entry_ID 17976 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PPARgamma_LBD _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 ; GQLNPESADLRALAKHLYDS YIKSFPLTKAKARAILTGKT TDKSPFVIYDMNSLMMGEDK IKFKHITPLQEQSKEVAIRI FQGCQFRSVEAVQEITEYAK SIPGFVNLDLNDQVTLLKYG VHEIIYTMLASLMNKDGVLI SEGQGFMTREFLKSLRKPFG DFMEPKFEFAVKFNALELDD SDLAIFIAVIILSGDRPGLL NVKPIEDIQDNLLQALELQL KLNHPESSQLFAKLLQKMTD LRQIVTEHVQLLQVIKKTET DMSLHPLLQEIYKDLY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 276 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15518 . Peroxisome_Proliferator-Activated_Receptor_Gamma_Ligand-Binding_Domain . . . . . 99.64 279 100.00 100.00 0.00e+00 . . . . 17976 1 2 no BMRB 17975 . PPARgamma_LBD . . . . . 100.00 276 100.00 100.00 0.00e+00 . . . . 17976 1 3 no BMRB 17977 . PPARgamma_LBD . . . . . 100.00 276 100.00 100.00 0.00e+00 . . . . 17976 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" . . . . . 98.55 272 100.00 100.00 0.00e+00 . . . . 17976 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" . . . . . 98.55 272 100.00 100.00 0.00e+00 . . . . 17976 1 6 no PDB 1I7I . "Crystal Structure Of The Ligand Binding Domain Of Human Ppar-Gamma In Complex With The Agonist Az 242" . . . . . 99.64 292 100.00 100.00 0.00e+00 . . . . 17976 1 7 no PDB 1K74 . "The 2.3 Angstrom Resolution Crystal Structure Of The Heterodimer Of The Human Ppargamma And Rxralpha Ligand Binding Domains Res" . . . . . 98.91 283 99.63 99.63 0.00e+00 . . . . 17976 1 8 no PDB 1KNU . "Ligand Binding Domain Of The Human Peroxisome Proliferator Activated Receptor Gamma In Complex With A Synthetic Agonist" . . . . . 99.28 274 100.00 100.00 0.00e+00 . . . . 17976 1 9 no PDB 1NYX . "Ligand Binding Domain Of The Human Peroxisome Proliferator Activated Receptor Gamma In Complex With An Agonist" . . . . . 99.64 276 100.00 100.00 0.00e+00 . . . . 17976 1 10 no PDB 1PRG . "Ligand Binding Domain Of The Human Peroxisome Proliferator Activated Receptor Gamma" . . . . . 97.83 270 100.00 100.00 0.00e+00 . . . . 17976 1 11 no PDB 1RDT . "Crystal Structure Of A New Rexinoid Bound To The Rxralpha Ligand Binding Doamin In The RxralphaPPARGAMMA HETERODIMER" . . . . . 98.19 284 100.00 100.00 0.00e+00 . . . . 17976 1 12 no PDB 1WM0 . "Ppargamma In Complex With A 2-Baba Compound" . . . . . 100.00 292 99.64 100.00 0.00e+00 . . . . 17976 1 13 no PDB 1ZEO . "Crystal Structure Of Human Ppar-Gamma Ligand Binding Domain Complexed With An Alpha-Aryloxyphenylacetic Acid Agonist" . . . . . 100.00 277 99.64 99.64 0.00e+00 . . . . 17976 1 14 no PDB 1ZGY . "Structural And Biochemical Basis For Selective Repression Of The Orphan Nuclear Receptor Lrh-1 By Shp" . . . . . 98.55 272 100.00 100.00 0.00e+00 . . . . 17976 1 15 no PDB 2ATH . "Crystal Structure Of The Ligand Binding Domain Of Human Ppar-Gamma Im Complex With An Agonist" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 16 no PDB 2F4B . "Crystal Structure Of The Ligand Binding Domain Of Human Ppar-Gamma In Complex With An Agonist" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 17 no PDB 2FVJ . "A Novel Anti-adipogenic Partial Agonist Of Peroxisome Proliferator- Activated Receptor-gamma (pparg) Recruits Pparg-coactivator" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 18 no PDB 2G0G . "Structure-based Drug Design Of A Novel Family Of Ppar Partial Agonists: Virtual Screening, X-ray Crystallography And In Vitro/i" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 19 no PDB 2G0H . "Structure-Based Drug Design Of A Novel Family Of Ppar Partial Agonists: Virtual Screening, X-Ray Crystallography And In VitroIN" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 20 no PDB 2GTK . "Structure-Based Design Of Indole Propionic Acids As Novel Pparag Co-Agonists" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 21 no PDB 2HFP . "Crystal Structure Of Ppar Gamma With N-Sulfonyl-2-Indole Carboxamide Ligands" . . . . . 98.91 282 99.63 100.00 0.00e+00 . . . . 17976 1 22 no PDB 2HWQ . "Structural Basis For The Structure-Activity Relationships Of Peroxisome Proliferator-Activated Receptor Agonists" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 23 no PDB 2HWR . "Structural Basis For The Structure-Activity Relationships Of Peroxisome Proliferator-Activated Receptor Agonists" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 24 no PDB 2I4J . "Crystal Structure Of The Complex Between Ppargamma And The Agonist Lt160 (Ureidofibrate Derivative)" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 25 no PDB 2I4P . "Crystal Structure Of The Complex Between Ppargamma And The Partial Agonist Lt127 (Ureidofibrate Derivative). Structure Obtained" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 26 no PDB 2I4Z . "Crystal Structure Of The Complex Between Ppargamma And The Partial Agonist Lt127 (Ureidofibrate Derivative). This Structure Has" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 27 no PDB 2OM9 . "Ajulemic Acid, A Synthetic Cannabinoid Bound To Ppar Gamma" . . . . . 99.28 278 100.00 100.00 0.00e+00 . . . . 17976 1 28 no PDB 2P4Y . "Crystal Structure Of Human Ppar-Gamma-Ligand Binding Domain Complexed With An Indole-Based Modulator" . . . . . 100.00 277 99.64 99.64 0.00e+00 . . . . 17976 1 29 no PDB 2POB . "Ppargamma Ligand Binding Domain Complexed With A Farglitazar Analogue Gw4709" . . . . . 98.55 272 100.00 100.00 0.00e+00 . . . . 17976 1 30 no PDB 2PRG . "Ligand-Binding Domain Of The Human Peroxisome Proliferator Activated Receptor Gamma" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 31 no PDB 2Q59 . "Crystal Structure Of Ppargamma Lbd Bound To Full Agonist Mrl20" . . . . . 98.91 274 100.00 100.00 0.00e+00 . . . . 17976 1 32 no PDB 2Q5P . "Crystal Structure Of Ppargamma Bound To Partial Agonist Mrl24" . . . . . 98.91 274 100.00 100.00 0.00e+00 . . . . 17976 1 33 no PDB 2Q5S . "Crystal Structure Of Ppargamma Bound To Partial Agonist Ntzdpa" . . . . . 98.91 274 100.00 100.00 0.00e+00 . . . . 17976 1 34 no PDB 2Q61 . "Crystal Structure Of Ppargamma Ligand Binding Domain Bound To Partial Agonist Sr145" . . . . . 98.91 274 100.00 100.00 0.00e+00 . . . . 17976 1 35 no PDB 2Q6R . "Crystal Structure Of Ppar Gamma Complexed With Partial Agonist Sf147" . . . . . 98.91 274 100.00 100.00 0.00e+00 . . . . 17976 1 36 no PDB 2Q6S . "2.4 Angstrom Crystal Structure Of Ppar Gamma Complexed To Bvt.13 Without Co-Activator Peptides" . . . . . 98.91 274 100.00 100.00 0.00e+00 . . . . 17976 1 37 no PDB 2Q8S . "X-Ray Crystal Structure Of The Nuclear Hormone Receptor Ppar-Gamma In A Complex With A Ppar GammaALPHA DUAL AGONIST" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 38 no PDB 2QMV . "High Resolution Structure Of Peroxisone Proliferation-Activated Receptor Gamma And Characterisation Of Its Interaction With The" . . . . . 97.83 270 100.00 100.00 0.00e+00 . . . . 17976 1 39 no PDB 2VSR . "Hppargamma Ligand Binding Domain In Complex With 9-(S)-Hode" . . . . . 100.00 276 99.64 99.64 0.00e+00 . . . . 17976 1 40 no PDB 2VST . "Hppargamma Ligand Binding Domain In Complex With 13-(S)- Hode" . . . . . 100.00 276 99.64 99.64 0.00e+00 . . . . 17976 1 41 no PDB 2VV0 . "Hppargamma Ligand Binding Domain In Complex With Dha" . . . . . 100.00 276 99.64 99.64 0.00e+00 . . . . 17976 1 42 no PDB 2VV1 . "Hppargamma Ligand Binding Domain In Complex With 4-Hdha" . . . . . 100.00 276 99.64 99.64 0.00e+00 . . . . 17976 1 43 no PDB 2VV2 . "Hppargamma Ligand Binding Domain In Complex With 5-Hepa" . . . . . 100.00 276 99.64 99.64 0.00e+00 . . . . 17976 1 44 no PDB 2VV3 . "Hppargamma Ligand Binding Domain In Complex With 4-Oxodha" . . . . . 100.00 276 99.64 99.64 0.00e+00 . . . . 17976 1 45 no PDB 2VV4 . "Hppargamma Ligand Binding Domain In Complex With 6-Oxoote" . . . . . 100.00 276 99.64 99.64 0.00e+00 . . . . 17976 1 46 no PDB 2XKW . "Ligand Binding Domain Of Human Ppar-Gamma In Complex With The Agonist Pioglitazone" . . . . . 99.28 274 100.00 100.00 0.00e+00 . . . . 17976 1 47 no PDB 2YFE . "Ligand Binding Domain Of Human Ppar Gamma In Complex With Amorfrutin 1" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 48 no PDB 2ZK0 . "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 49 no PDB 2ZK1 . "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain Complexed With 15-Deoxy-Delta12,14- Prostaglandin " . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 50 no PDB 2ZK2 . "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain Complexed With Glutathion Conjugated 15-Deoxy-Delt" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 51 no PDB 2ZK3 . "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain Complexed With 8-Oxo- Eicosatetraenoic Acid" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 52 no PDB 2ZK4 . "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain Complexed With 15-Oxo- Eicosatetraenoic Acid" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 53 no PDB 2ZK5 . "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain Complexed With Nitro-233" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 54 no PDB 2ZK6 . "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain Complexed With C8-Bodipy" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 55 no PDB 2ZNO . "Human Pprr Gamma Ligand Binding Domain In Complex With A Synthetic Agonist Tipp703" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 56 no PDB 2ZVT . "Cys285ser Mutant Ppargamma Ligand-Binding Domain Complexed With 15-Deoxy-Delta12,14-Prostaglandin J2" . . . . . 99.28 286 99.64 99.64 0.00e+00 . . . . 17976 1 57 no PDB 3ADS . "Human Ppargamma Ligand-Binding Domain In Complex With Indomethacin" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 58 no PDB 3ADT . "Human Ppargamma Ligand-Binding Domain In Complex With 5-Hydroxy-Indole Acetate" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 59 no PDB 3ADU . "Human Ppargamma Ligand-Binding Domain In Complex With 5-Methoxy-Indole Acetate" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 60 no PDB 3ADV . "Human Ppargamma Ligand-Binding Domain In Complex With Serotonin" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 61 no PDB 3ADW . "Human Ppargamma Ligand-Binding Domain In Complex With 5-Methoxy-Indole Acetate And 15-Oxo-Eicosatetraenoic Acid" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 62 no PDB 3ADX . "Human Ppargamma Ligand-Binding Domain In Complex With Indomethacin And Nitro-233" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 63 no PDB 3AN3 . "Human Ppar Gamma Ligand Binding Domain In Complex With A Gamma Selective Agonist Mo3s" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 64 no PDB 3AN4 . "Human Ppar Gamma Ligand Binding Domain In Complex With A Gamma Selective Agonist Mo4r" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 65 no PDB 3B0Q . "Human Ppar Gamma Ligand Binding Domain In Complex With Mcc555" . . . . . 99.28 274 100.00 100.00 0.00e+00 . . . . 17976 1 66 no PDB 3B0R . "Human Ppar Gamma Ligand Binding Dmain Complexed With Gw9662 In A Covalent Bonded Form" . . . . . 99.28 274 100.00 100.00 0.00e+00 . . . . 17976 1 67 no PDB 3B1M . "Crystal Structure Of The Ppargamma-Lbd Complexed With A Cercosporamide Derivative Modulator Cerco-A" . . . . . 98.91 283 99.63 99.63 0.00e+00 . . . . 17976 1 68 no PDB 3B3K . "Crystal Structure Of The Complex Between Ppargamma And The Full Agonist Lt175" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 69 no PDB 3BC5 . "X-Ray Crystal Structure Of Human Ppar Gamma With 2-(5-(3-(2- (5-Methyl-2-Phenyloxazol-4-Yl)ethoxy)benzyl)-2-Phenyl-2h-1, 2,3-Tr" . . . . . 99.64 296 100.00 100.00 0.00e+00 . . . . 17976 1 70 no PDB 3CDP . "Crystal Structure Of Ppar-gamma Lbd Complexed With A Partial Agonist, Analogue Of Clofibric Acid" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 71 no PDB 3CDS . "Crystal Structure Of The Complex Between Ppar-Gamma And The Agonist Lt248 (Clofibric Acid Analogue)" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 72 no PDB 3CS8 . "Structural And Biochemical Basis For The Binding Selectivity Of Pparg To Pgc-1a" . . . . . 98.55 275 99.63 100.00 0.00e+00 . . . . 17976 1 73 no PDB 3CWD . "Molecular Recognition Of Nitro-Fatty Acids By Ppar Gamma" . . . . . 97.83 270 100.00 100.00 0.00e+00 . . . . 17976 1 74 no PDB 3D6D . "Crystal Structure Of The Complex Between Ppargamma Lbd And The Lt175(R-Enantiomer)" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 75 no PDB 3DZU . "Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex On Dna Bound With Bvt.13, 9-Cis Retinoic Acid And Ncoa2 Peptide" . . . . . 99.64 419 100.00 100.00 0.00e+00 . . . . 17976 1 76 no PDB 3DZY . "Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex On Dna Bound With Rosiglitazone, 9-Cis Retinoic Acid And Ncoa2 Peptide" . . . . . 99.64 419 100.00 100.00 0.00e+00 . . . . 17976 1 77 no PDB 3E00 . "Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex On Dna Bound With Gw9662, 9-Cis Retinoic Acid And Ncoa2 Peptide" . . . . . 99.64 419 100.00 100.00 0.00e+00 . . . . 17976 1 78 no PDB 3ET0 . "Structure Of Ppargamma With 3-(5-Methoxy-1h-Indol-3-Yl)- Propionic Acid" . . . . . 98.19 292 99.63 99.63 0.00e+00 . . . . 17976 1 79 no PDB 3ET3 . "Structure Of Ppargamma With 3-[5-Methoxy-1-(4-Methoxy- Benzenesulfonyl)-1h-Indol-3-Yl]-Propionic Acid" . . . . . 98.19 292 100.00 100.00 0.00e+00 . . . . 17976 1 80 no PDB 3FEJ . "Design And Biological Evaluation Of Novel, Balanced Dual PparaG AGONISTS" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 81 no PDB 3FUR . "Crystal Structure Of Pparg In Complex With Int131" . . . . . 98.55 272 100.00 100.00 0.00e+00 . . . . 17976 1 82 no PDB 3G9E . "Aleglitaar. A New. Potent, And Balanced Dual PparaG AGONIST For The Treatment Of Type Ii Diabetes" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 83 no PDB 3GBK . "Crystal Structure Of Human Ppar-Gamma Ligand Binding Domain Complexed With A Potent And Selective Agonist" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 84 no PDB 3H0A . "Crystal Structure Of Peroxisome Proliferator-activated Receptor Gamma (pparg) And Retinoic Acid Receptor Alpha (rxra) In Comple" . . . . . 98.55 272 100.00 100.00 0.00e+00 . . . . 17976 1 85 no PDB 3HO0 . "Crystal Structure Of The Ppargamma-Lbd Complexed With A New Aryloxy-3phenylpropanoic Acid" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 86 no PDB 3HOD . "Crystal Structure Of The Ppargamma-Lbd Complexed With A New Aryloxy-3phenylpropanoic Acid" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 87 no PDB 3IA6 . "X-Ray Crystal Structure Of The Nuclear Hormone Receptor Ppar-Gamma In A Complex With A Ppar GammaALPHA DUAL Agonist" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 88 no PDB 3K8S . "Crystal Structure Of Pparg In Complex With T2384" . . . . . 98.55 272 100.00 100.00 0.00e+00 . . . . 17976 1 89 no PDB 3KMG . "The X-Ray Crystal Structure Of Ppar-Gamma In Complex With An Indole Derivative Modulator, Gsk538, And An Src-1 Peptide" . . . . . 98.55 272 100.00 100.00 0.00e+00 . . . . 17976 1 90 no PDB 3LMP . "Crystal Structure Of The Ppargamma-Lbd Complexed With A Cercosporamide Derivative Modulator" . . . . . 98.91 283 99.63 99.63 0.00e+00 . . . . 17976 1 91 no PDB 3NOA . "Crystal Structure Of Human Ppar-Gamma Ligand Binding Domain Complex With A Potency Improved Agonist" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 92 no PDB 3OSI . "Crystal Structure Of Ppargamma Ligand Binding Domain In Complex With Tetrachloro-bisphenol A (tcbpa)" . . . . . 99.28 285 100.00 100.00 0.00e+00 . . . . 17976 1 93 no PDB 3OSW . "Crystal Structure Of Ppargamma Ligand Binding Domain In Complex With Tetrabromo-bisphenol A (tbbpa)" . . . . . 99.28 285 100.00 100.00 0.00e+00 . . . . 17976 1 94 no PDB 3PBA . "Crystal Structure Of Ppargamma Ligand Binding Domain In Complex With Monosulfate Tetrabromo-Bisphenol A (Monotbbpa)" . . . . . 99.64 286 100.00 100.00 0.00e+00 . . . . 17976 1 95 no PDB 3PO9 . "Crystal Structure Of Ppargamma Ligand Binding Domain In Complex With Tripropyltin" . . . . . 99.64 286 100.00 100.00 0.00e+00 . . . . 17976 1 96 no PDB 3PRG . "Ligand Binding Domain Of Human Peroxisome Proliferator Activated Receptor" . . . . . 99.28 278 100.00 100.00 0.00e+00 . . . . 17976 1 97 no PDB 3QT0 . "Revealing A Steroid Receptor Ligand As A Unique Ppargamma Agonist" . . . . . 98.19 271 100.00 100.00 0.00e+00 . . . . 17976 1 98 no PDB 3R5N . "Crystal Structure Of Ppargammalbd Complexed With The Agonist Magnolol" . . . . . 99.28 274 100.00 100.00 0.00e+00 . . . . 17976 1 99 no PDB 3R8A . "X-Ray Crystal Structure Of The Nuclear Hormone Receptor Ppar-Gamma In A Complex With A Compound With Dual Ppar Gamma Agonism An" . . . . . 98.19 282 100.00 100.00 0.00e+00 . . . . 17976 1 100 no PDB 3R8I . "Crystal Structure Of Ppargamma With An Achiral Ureidofibrate Derivative (Rt86)" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 101 no PDB 3S9S . "Ligand Binding Domain Of Ppargamma Complexed With A Benzimidazole Partial Agonist" . . . . . 98.55 284 100.00 100.00 0.00e+00 . . . . 17976 1 102 no PDB 3SZ1 . "Human Ppar Gamma Ligand Binding Domain In Complex With Luteolin And Myristic Acid" . . . . . 99.28 278 100.00 100.00 0.00e+00 . . . . 17976 1 103 no PDB 3T03 . "Crystal Structure Of Ppar Gamma Ligand Binding Domain In Complex With A Novel Partial Agonist Gq-16" . . . . . 98.91 284 99.63 99.63 0.00e+00 . . . . 17976 1 104 no PDB 3TY0 . "Structure Of Ppargamma Ligand Binding Domain In Complex With (r)-5-(3- ((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1" . . . . . 100.00 277 99.64 99.64 0.00e+00 . . . . 17976 1 105 no PDB 3U9Q . "Ligand Binding Domain Of Ppargamma Complexed With Decanoic Acid And Pgc-1a Peptide" . . . . . 97.46 269 100.00 100.00 0.00e+00 . . . . 17976 1 106 no PDB 3V9T . "Crystal Structure Of The Ppargamma-Lbd Complexed With A Cercosporamide Derivative Modulator" . . . . . 98.91 283 99.63 99.63 0.00e+00 . . . . 17976 1 107 no PDB 3V9V . "Crystal Structure Of The Ppargamma-Lbd Complexed With A Cercosporamide Derivative Modulator" . . . . . 98.91 283 99.63 99.63 0.00e+00 . . . . 17976 1 108 no PDB 3V9Y . "Crystal Structure Of The Ppargamma-Lbd Complexed With A Cercosporamide Derivative Modulator" . . . . . 98.91 283 99.63 99.63 0.00e+00 . . . . 17976 1 109 no PDB 3VJH . "Human Ppar Gamma Ligand Binding Domain In Complex With Jkpl35" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 110 no PDB 3VJI . "Human Ppar Gamma Ligand Binding Domain In Complex With Jkpl53" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 111 no PDB 3VN2 . "Crystal Structure Of Ppargamma Complexed With Telmisartan" . . . . . 99.64 285 100.00 100.00 0.00e+00 . . . . 17976 1 112 no PDB 3VSO . "Human Ppar Gamma Ligand Binding Domain In Complex With A Gamma Selective Agonist Mekt21" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 113 no PDB 3VSP . "Human Ppar Gamma Ligand Binding Domain In Complex With A Gamma Selective Agonist Mekt28" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 114 no PDB 3WJ4 . "Crystal Structure Of Ppargamma Ligand Binding Domain In Complex With Tributyltin" . . . . . 100.00 276 98.91 98.91 0.00e+00 . . . . 17976 1 115 no PDB 3WJ5 . "Crystal Structure Of Ppargamma Ligand Binding Domain In Complex With Triphenyltin" . . . . . 100.00 276 98.91 98.91 0.00e+00 . . . . 17976 1 116 no PDB 3WMH . "Human Pprr Gamma Ligand Binding Domain In Complex With A Gammma Selective Synthetic Partial Agonist Mekt75" . . . . . 99.28 286 100.00 100.00 0.00e+00 . . . . 17976 1 117 no PDB 3X1H . "Hppargamma Ligand Binding Domain In Complex With 5-oxo- Tricosahexaenoic Acid" . . . . . 100.00 276 99.64 99.64 0.00e+00 . . . . 17976 1 118 no PDB 3X1I . "Hppargamma Ligand Binding Domain In Complex With 6-oxo- Tetracosahexaenoic Acid" . . . . . 100.00 276 99.64 99.64 0.00e+00 . . . . 17976 1 119 no PDB 4A4V . "Ligand Binding Domain Of Human Ppar Gamma In Complex With Amorfrutin 2" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 120 no PDB 4A4W . "Ligand Binding Domain Of Human Ppar Gamma In Complex With Amorfrutin 2" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 121 no PDB 4CI5 . "Structural Basis For Gl479 A Dual Peroxisome Proliferator- Activated Receptor Gamma Agonist" . . . . . 98.55 272 100.00 100.00 0.00e+00 . . . . 17976 1 122 no PDB 4E4K . "Crystal Structure Of Ppargamma With The Ligand Jo21" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 123 no PDB 4E4Q . "Crystal Structure Of Ppargamma With The Ligand Fs214" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 124 no PDB 4EM9 . "Human Ppar Gamma In Complex With Nonanoic Acids" . . . . . 98.19 275 100.00 100.00 0.00e+00 . . . . 17976 1 125 no PDB 4EMA . "Human Peroxisome Proliferator-activated Receptor Gamma In Complex With Rosiglitazone" . . . . . 98.19 275 100.00 100.00 0.00e+00 . . . . 17976 1 126 no PDB 4F9M . "Crystal Structure Of The Ppargamma-Lbd Complexed With A Cercosporamide Derivative Modulator" . . . . . 98.91 283 99.63 99.63 0.00e+00 . . . . 17976 1 127 no PDB 4FGY . "Identification Of A Unique Ppar Ligand With An Unexpected Binding Mode And Antibetic Activity" . . . . . 97.83 270 100.00 100.00 0.00e+00 . . . . 17976 1 128 no PDB 4HEE . "Crystal Structure Of Ppargamma In Complex With Compound 13" . . . . . 98.19 282 100.00 100.00 0.00e+00 . . . . 17976 1 129 no PDB 4JAZ . "Crystal Structure Of The Complex Between Ppargamma Lbd And Trans- Resveratrol" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 130 no PDB 4JL4 . "Crystal Structure Of The Complex Between Ppargamma Lbd And The Ligand Lj570 [(2s)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propano" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 131 no PDB 4L96 . "Structure Of The Complex Between The F360l Ppargamma Mutant And The Ligand Lt175 (space Group I222)" . . . . . 98.19 275 99.63 99.63 0.00e+00 . . . . 17976 1 132 no PDB 4L98 . "Crystal Structure Of The Complex Of F360l Ppargamma Mutant With The Ligand Lt175" . . . . . 98.19 275 99.63 99.63 0.00e+00 . . . . 17976 1 133 no PDB 4O8F . "Crystal Structure Of The Complex Between Ppargamma Mutant R357a And Rosiglitazone" . . . . . 99.64 287 99.64 99.64 0.00e+00 . . . . 17976 1 134 no PDB 4OJ4 . "Crystal Structure Of V290m Ppargamma Mutant In Complex With Diclofenac" . . . . . 99.28 278 99.64 100.00 0.00e+00 . . . . 17976 1 135 no PDB 4PRG . "0072 Partial Agonist Ppar Gamma Cocrystal" . . . . . 97.83 270 100.00 100.00 0.00e+00 . . . . 17976 1 136 no PDB 4PVU . "Crystal Structure Of The Complex Between Ppargamma-lbd And The R Enantiomer Of Mbx-102 (metaglidasen)" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 137 no PDB 4PWL . "Crystal Structure Of The Complex Between Ppargamma-lbd And The S Enantiomer Of Mbx-102 (metaglidasen)" . . . . . 99.64 287 100.00 100.00 0.00e+00 . . . . 17976 1 138 no PDB 4R2U . "Crystal Structure Of Ppargamma In Complex With Sr1664" . . . . . 99.64 275 100.00 100.00 0.00e+00 . . . . 17976 1 139 no PDB 4R6S . "Crystal Structure Of Ppargammma In Complex With Sr1663" . . . . . 99.64 275 99.64 99.64 0.00e+00 . . . . 17976 1 140 no PDB 4XLD . "Crystal Structure Of The Human Pparg-lbd/rosiglitazone Complex Obtained By Dry Co-crystallization And In Situ Diffraction" . . . . . 99.64 296 100.00 100.00 0.00e+00 . . . . 17976 1 141 no PDB 4XTA . "Mechanisms Of Ppargamma Activation By Non-steroidal Anti-inflammatory Drugs" . . . . . 99.28 278 100.00 100.00 0.00e+00 . . . . 17976 1 142 no PDB 4XUM . "Ppargamma Ligand Binding Domain In Complex With Indomethacin" . . . . . 99.28 278 100.00 100.00 0.00e+00 . . . . 17976 1 143 no PDB 4Y29 . "Identification Of A Novel Pparg Ligand That Regulates Metabolism" . . . . . 97.46 269 100.00 100.00 0.00e+00 . . . . 17976 1 144 no DBJ BAA18949 . "PPAR gamma2 [Homo sapiens]" . . . . . 100.00 506 99.64 99.64 0.00e+00 . . . . 17976 1 145 no DBJ BAA23354 . "peroxisome proliferator activated-receptor gamma [Homo sapiens]" . . . . . 99.64 474 98.91 98.91 0.00e+00 . . . . 17976 1 146 no DBJ BAA32540 . "PPAR-gamma protein [Rattus norvegicus]" . . . . . 99.64 475 98.55 99.64 0.00e+00 . . . . 17976 1 147 no DBJ BAA36485 . "PPAR gamma2 [Rattus norvegicus]" . . . . . 99.64 505 98.55 99.64 0.00e+00 . . . . 17976 1 148 no DBJ BAD20642 . "peroxisome proliferator-activated receptor gamma 1a [Sus scrofa]" . . . . . 99.64 475 99.64 100.00 0.00e+00 . . . . 17976 1 149 no EMBL CAA07224 . "peroxisome proliferator-cctivated receptor gamma 1 [Sus scrofa]" . . . . . 99.64 475 98.91 99.64 0.00e+00 . . . . 17976 1 150 no EMBL CAA07225 . "peroxisome proliferator-activated receptor-gamma 2 [Sus scrofa]" . . . . . 99.64 504 98.91 99.64 0.00e+00 . . . . 17976 1 151 no EMBL CAA62152 . "peroxisome proliferator activated receptor gamma [Homo sapiens]" . . . . . 99.64 477 100.00 100.00 0.00e+00 . . . . 17976 1 152 no EMBL CAA62153 . "peroxisome proliferator activated receptor gamma [Homo sapiens]" . . . . . 99.64 475 100.00 100.00 0.00e+00 . . . . 17976 1 153 no EMBL CAA73032 . "peroxisome proliferator activated receptor gamma 1 [Bos taurus]" . . . . . 99.64 475 98.91 99.64 0.00e+00 . . . . 17976 1 154 no GB AAA19971 . "peroxisome proliferator-activated receptor gamma [Mus musculus]" . . . . . 99.64 475 98.55 99.64 0.00e+00 . . . . 17976 1 155 no GB AAA62110 . "PPAR gamma [Mus musculus]" . . . . . 99.64 475 97.45 98.91 0.00e+00 . . . . 17976 1 156 no GB AAA62277 . "peroxisome proliferator activated protein-gamma-2 [Mus musculus]" . . . . . 99.64 505 98.18 99.64 0.00e+00 . . . . 17976 1 157 no GB AAA80314 . "peroxisome proliferator activated receptor gamma [Homo sapiens]" . . . . . 99.64 477 100.00 100.00 0.00e+00 . . . . 17976 1 158 no GB AAB04028 . "peroxisome proliferator activated receptor gamma 2 [Homo sapiens]" . . . . . 99.64 505 100.00 100.00 0.00e+00 . . . . 17976 1 159 no PIR JE0279 . "peroxisome proliferator-activated receptor gamma 1 - pig" . . . . . 99.64 475 98.91 99.64 0.00e+00 . . . . 17976 1 160 no REF NP_001019803 . "peroxisome proliferator-activated receptor gamma [Canis lupus familiaris]" . . . . . 99.64 505 100.00 100.00 0.00e+00 . . . . 17976 1 161 no REF NP_001028032 . "peroxisome proliferator-activated receptor gamma [Macaca mulatta]" . . . . . 99.64 505 100.00 100.00 0.00e+00 . . . . 17976 1 162 no REF NP_001075617 . "peroxisome proliferator-activated receptor gamma [Oryctolagus cuniculus]" . . . . . 99.64 475 98.91 100.00 0.00e+00 . . . . 17976 1 163 no REF NP_001094391 . "peroxisome proliferator-activated receptor gamma [Ovis aries]" . . . . . 99.64 475 98.91 99.64 0.00e+00 . . . . 17976 1 164 no REF NP_001106647 . "peroxisome proliferator-activated receptor gamma [Felis catus]" . . . . . 99.64 505 99.27 99.64 0.00e+00 . . . . 17976 1 165 no SP O18924 . "RecName: Full=Peroxisome proliferator-activated receptor gamma; Short=PPAR-gamma; AltName: Full=Nuclear receptor subfamily 1 gr" . . . . . 99.64 505 100.00 100.00 0.00e+00 . . . . 17976 1 166 no SP O18971 . "RecName: Full=Peroxisome proliferator-activated receptor gamma; Short=PPAR-gamma; AltName: Full=Nuclear receptor subfamily 1 gr" . . . . . 99.64 505 98.91 99.64 0.00e+00 . . . . 17976 1 167 no SP O19052 . "RecName: Full=Peroxisome proliferator-activated receptor gamma; Short=PPAR-gamma; AltName: Full=Nuclear receptor subfamily 1 gr" . . . . . 99.64 475 98.91 100.00 0.00e+00 . . . . 17976 1 168 no SP O62807 . "RecName: Full=Peroxisome proliferator-activated receptor gamma; Short=PPAR-gamma; AltName: Full=Nuclear receptor subfamily 1 gr" . . . . . 99.64 504 99.64 100.00 0.00e+00 . . . . 17976 1 169 no SP O88275 . "RecName: Full=Peroxisome proliferator-activated receptor gamma; Short=PPAR-gamma; AltName: Full=Nuclear receptor subfamily 1 gr" . . . . . 99.64 505 98.55 99.64 0.00e+00 . . . . 17976 1 170 no TPG DAA16769 . "TPA: peroxisome proliferator-activated receptor gamma [Bos taurus]" . . . . . 99.64 505 98.91 99.64 0.00e+00 . . . . 17976 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 1 202 GLY . 17976 1 2 203 GLN . 17976 1 3 204 LEU . 17976 1 4 205 ASN . 17976 1 5 206 PRO . 17976 1 6 207 GLU . 17976 1 7 208 SER . 17976 1 8 209 ALA . 17976 1 9 210 ASP . 17976 1 10 211 LEU . 17976 1 11 212 ARG . 17976 1 12 213 ALA . 17976 1 13 214 LEU . 17976 1 14 215 ALA . 17976 1 15 216 LYS . 17976 1 16 217 HIS . 17976 1 17 218 LEU . 17976 1 18 219 TYR . 17976 1 19 220 ASP . 17976 1 20 221 SER . 17976 1 21 222 TYR . 17976 1 22 223 ILE . 17976 1 23 224 LYS . 17976 1 24 225 SER . 17976 1 25 226 PHE . 17976 1 26 227 PRO . 17976 1 27 228 LEU . 17976 1 28 229 THR . 17976 1 29 230 LYS . 17976 1 30 231 ALA . 17976 1 31 232 LYS . 17976 1 32 233 ALA . 17976 1 33 234 ARG . 17976 1 34 235 ALA . 17976 1 35 236 ILE . 17976 1 36 237 LEU . 17976 1 37 238 THR . 17976 1 38 239 GLY . 17976 1 39 240 LYS . 17976 1 40 241 THR . 17976 1 41 242 THR . 17976 1 42 243 ASP . 17976 1 43 244 LYS . 17976 1 44 245 SER . 17976 1 45 246 PRO . 17976 1 46 247 PHE . 17976 1 47 248 VAL . 17976 1 48 249 ILE . 17976 1 49 250 TYR . 17976 1 50 251 ASP . 17976 1 51 252 MET . 17976 1 52 253 ASN . 17976 1 53 254 SER . 17976 1 54 255 LEU . 17976 1 55 256 MET . 17976 1 56 257 MET . 17976 1 57 258 GLY . 17976 1 58 259 GLU . 17976 1 59 260 ASP . 17976 1 60 261 LYS . 17976 1 61 262 ILE . 17976 1 62 263 LYS . 17976 1 63 264 PHE . 17976 1 64 265 LYS . 17976 1 65 266 HIS . 17976 1 66 267 ILE . 17976 1 67 268 THR . 17976 1 68 269 PRO . 17976 1 69 270 LEU . 17976 1 70 271 GLN . 17976 1 71 272 GLU . 17976 1 72 273 GLN . 17976 1 73 274 SER . 17976 1 74 275 LYS . 17976 1 75 276 GLU . 17976 1 76 277 VAL . 17976 1 77 278 ALA . 17976 1 78 279 ILE . 17976 1 79 280 ARG . 17976 1 80 281 ILE . 17976 1 81 282 PHE . 17976 1 82 283 GLN . 17976 1 83 284 GLY . 17976 1 84 285 CYS . 17976 1 85 286 GLN . 17976 1 86 287 PHE . 17976 1 87 288 ARG . 17976 1 88 289 SER . 17976 1 89 290 VAL . 17976 1 90 291 GLU . 17976 1 91 292 ALA . 17976 1 92 293 VAL . 17976 1 93 294 GLN . 17976 1 94 295 GLU . 17976 1 95 296 ILE . 17976 1 96 297 THR . 17976 1 97 298 GLU . 17976 1 98 299 TYR . 17976 1 99 300 ALA . 17976 1 100 301 LYS . 17976 1 101 302 SER . 17976 1 102 303 ILE . 17976 1 103 304 PRO . 17976 1 104 305 GLY . 17976 1 105 306 PHE . 17976 1 106 307 VAL . 17976 1 107 308 ASN . 17976 1 108 309 LEU . 17976 1 109 310 ASP . 17976 1 110 311 LEU . 17976 1 111 312 ASN . 17976 1 112 313 ASP . 17976 1 113 314 GLN . 17976 1 114 315 VAL . 17976 1 115 316 THR . 17976 1 116 317 LEU . 17976 1 117 318 LEU . 17976 1 118 319 LYS . 17976 1 119 320 TYR . 17976 1 120 321 GLY . 17976 1 121 322 VAL . 17976 1 122 323 HIS . 17976 1 123 324 GLU . 17976 1 124 325 ILE . 17976 1 125 326 ILE . 17976 1 126 327 TYR . 17976 1 127 328 THR . 17976 1 128 329 MET . 17976 1 129 330 LEU . 17976 1 130 331 ALA . 17976 1 131 332 SER . 17976 1 132 333 LEU . 17976 1 133 334 MET . 17976 1 134 335 ASN . 17976 1 135 336 LYS . 17976 1 136 337 ASP . 17976 1 137 338 GLY . 17976 1 138 339 VAL . 17976 1 139 340 LEU . 17976 1 140 341 ILE . 17976 1 141 342 SER . 17976 1 142 343 GLU . 17976 1 143 344 GLY . 17976 1 144 345 GLN . 17976 1 145 346 GLY . 17976 1 146 347 PHE . 17976 1 147 348 MET . 17976 1 148 349 THR . 17976 1 149 350 ARG . 17976 1 150 351 GLU . 17976 1 151 352 PHE . 17976 1 152 353 LEU . 17976 1 153 354 LYS . 17976 1 154 355 SER . 17976 1 155 356 LEU . 17976 1 156 357 ARG . 17976 1 157 358 LYS . 17976 1 158 359 PRO . 17976 1 159 360 PHE . 17976 1 160 361 GLY . 17976 1 161 362 ASP . 17976 1 162 363 PHE . 17976 1 163 364 MET . 17976 1 164 365 GLU . 17976 1 165 366 PRO . 17976 1 166 367 LYS . 17976 1 167 368 PHE . 17976 1 168 369 GLU . 17976 1 169 370 PHE . 17976 1 170 371 ALA . 17976 1 171 372 VAL . 17976 1 172 373 LYS . 17976 1 173 374 PHE . 17976 1 174 375 ASN . 17976 1 175 376 ALA . 17976 1 176 377 LEU . 17976 1 177 378 GLU . 17976 1 178 379 LEU . 17976 1 179 380 ASP . 17976 1 180 381 ASP . 17976 1 181 382 SER . 17976 1 182 383 ASP . 17976 1 183 384 LEU . 17976 1 184 385 ALA . 17976 1 185 386 ILE . 17976 1 186 387 PHE . 17976 1 187 388 ILE . 17976 1 188 389 ALA . 17976 1 189 390 VAL . 17976 1 190 391 ILE . 17976 1 191 392 ILE . 17976 1 192 393 LEU . 17976 1 193 394 SER . 17976 1 194 395 GLY . 17976 1 195 396 ASP . 17976 1 196 397 ARG . 17976 1 197 398 PRO . 17976 1 198 399 GLY . 17976 1 199 400 LEU . 17976 1 200 401 LEU . 17976 1 201 402 ASN . 17976 1 202 403 VAL . 17976 1 203 404 LYS . 17976 1 204 405 PRO . 17976 1 205 406 ILE . 17976 1 206 407 GLU . 17976 1 207 408 ASP . 17976 1 208 409 ILE . 17976 1 209 410 GLN . 17976 1 210 411 ASP . 17976 1 211 412 ASN . 17976 1 212 413 LEU . 17976 1 213 414 LEU . 17976 1 214 415 GLN . 17976 1 215 416 ALA . 17976 1 216 417 LEU . 17976 1 217 418 GLU . 17976 1 218 419 LEU . 17976 1 219 420 GLN . 17976 1 220 421 LEU . 17976 1 221 422 LYS . 17976 1 222 423 LEU . 17976 1 223 424 ASN . 17976 1 224 425 HIS . 17976 1 225 426 PRO . 17976 1 226 427 GLU . 17976 1 227 428 SER . 17976 1 228 429 SER . 17976 1 229 430 GLN . 17976 1 230 431 LEU . 17976 1 231 432 PHE . 17976 1 232 433 ALA . 17976 1 233 434 LYS . 17976 1 234 435 LEU . 17976 1 235 436 LEU . 17976 1 236 437 GLN . 17976 1 237 438 LYS . 17976 1 238 439 MET . 17976 1 239 440 THR . 17976 1 240 441 ASP . 17976 1 241 442 LEU . 17976 1 242 443 ARG . 17976 1 243 444 GLN . 17976 1 244 445 ILE . 17976 1 245 446 VAL . 17976 1 246 447 THR . 17976 1 247 448 GLU . 17976 1 248 449 HIS . 17976 1 249 450 VAL . 17976 1 250 451 GLN . 17976 1 251 452 LEU . 17976 1 252 453 LEU . 17976 1 253 454 GLN . 17976 1 254 455 VAL . 17976 1 255 456 ILE . 17976 1 256 457 LYS . 17976 1 257 458 LYS . 17976 1 258 459 THR . 17976 1 259 460 GLU . 17976 1 260 461 THR . 17976 1 261 462 ASP . 17976 1 262 463 MET . 17976 1 263 464 SER . 17976 1 264 465 LEU . 17976 1 265 466 HIS . 17976 1 266 467 PRO . 17976 1 267 468 LEU . 17976 1 268 469 LEU . 17976 1 269 470 GLN . 17976 1 270 471 GLU . 17976 1 271 472 ILE . 17976 1 272 473 TYR . 17976 1 273 474 LYS . 17976 1 274 475 ASP . 17976 1 275 476 LEU . 17976 1 276 477 TYR . 17976 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 . GLY 1 1 17976 1 . GLN 2 2 17976 1 . LEU 3 3 17976 1 . ASN 4 4 17976 1 . PRO 5 5 17976 1 . GLU 6 6 17976 1 . SER 7 7 17976 1 . ALA 8 8 17976 1 . ASP 9 9 17976 1 . LEU 10 10 17976 1 . ARG 11 11 17976 1 . ALA 12 12 17976 1 . LEU 13 13 17976 1 . ALA 14 14 17976 1 . LYS 15 15 17976 1 . HIS 16 16 17976 1 . LEU 17 17 17976 1 . TYR 18 18 17976 1 . ASP 19 19 17976 1 . SER 20 20 17976 1 . TYR 21 21 17976 1 . ILE 22 22 17976 1 . LYS 23 23 17976 1 . SER 24 24 17976 1 . PHE 25 25 17976 1 . PRO 26 26 17976 1 . LEU 27 27 17976 1 . THR 28 28 17976 1 . LYS 29 29 17976 1 . ALA 30 30 17976 1 . LYS 31 31 17976 1 . ALA 32 32 17976 1 . ARG 33 33 17976 1 . ALA 34 34 17976 1 . ILE 35 35 17976 1 . LEU 36 36 17976 1 . THR 37 37 17976 1 . GLY 38 38 17976 1 . LYS 39 39 17976 1 . THR 40 40 17976 1 . THR 41 41 17976 1 . ASP 42 42 17976 1 . LYS 43 43 17976 1 . SER 44 44 17976 1 . PRO 45 45 17976 1 . PHE 46 46 17976 1 . VAL 47 47 17976 1 . ILE 48 48 17976 1 . TYR 49 49 17976 1 . ASP 50 50 17976 1 . MET 51 51 17976 1 . ASN 52 52 17976 1 . SER 53 53 17976 1 . LEU 54 54 17976 1 . MET 55 55 17976 1 . MET 56 56 17976 1 . GLY 57 57 17976 1 . GLU 58 58 17976 1 . ASP 59 59 17976 1 . LYS 60 60 17976 1 . ILE 61 61 17976 1 . LYS 62 62 17976 1 . PHE 63 63 17976 1 . LYS 64 64 17976 1 . HIS 65 65 17976 1 . ILE 66 66 17976 1 . THR 67 67 17976 1 . PRO 68 68 17976 1 . LEU 69 69 17976 1 . GLN 70 70 17976 1 . GLU 71 71 17976 1 . GLN 72 72 17976 1 . SER 73 73 17976 1 . LYS 74 74 17976 1 . GLU 75 75 17976 1 . VAL 76 76 17976 1 . ALA 77 77 17976 1 . ILE 78 78 17976 1 . ARG 79 79 17976 1 . ILE 80 80 17976 1 . PHE 81 81 17976 1 . GLN 82 82 17976 1 . GLY 83 83 17976 1 . CYS 84 84 17976 1 . GLN 85 85 17976 1 . PHE 86 86 17976 1 . ARG 87 87 17976 1 . SER 88 88 17976 1 . VAL 89 89 17976 1 . GLU 90 90 17976 1 . ALA 91 91 17976 1 . VAL 92 92 17976 1 . GLN 93 93 17976 1 . GLU 94 94 17976 1 . ILE 95 95 17976 1 . THR 96 96 17976 1 . GLU 97 97 17976 1 . TYR 98 98 17976 1 . ALA 99 99 17976 1 . LYS 100 100 17976 1 . SER 101 101 17976 1 . ILE 102 102 17976 1 . PRO 103 103 17976 1 . GLY 104 104 17976 1 . PHE 105 105 17976 1 . VAL 106 106 17976 1 . ASN 107 107 17976 1 . LEU 108 108 17976 1 . ASP 109 109 17976 1 . LEU 110 110 17976 1 . ASN 111 111 17976 1 . ASP 112 112 17976 1 . GLN 113 113 17976 1 . VAL 114 114 17976 1 . THR 115 115 17976 1 . LEU 116 116 17976 1 . LEU 117 117 17976 1 . LYS 118 118 17976 1 . TYR 119 119 17976 1 . GLY 120 120 17976 1 . VAL 121 121 17976 1 . HIS 122 122 17976 1 . GLU 123 123 17976 1 . ILE 124 124 17976 1 . ILE 125 125 17976 1 . TYR 126 126 17976 1 . THR 127 127 17976 1 . MET 128 128 17976 1 . LEU 129 129 17976 1 . ALA 130 130 17976 1 . SER 131 131 17976 1 . LEU 132 132 17976 1 . MET 133 133 17976 1 . ASN 134 134 17976 1 . LYS 135 135 17976 1 . ASP 136 136 17976 1 . GLY 137 137 17976 1 . VAL 138 138 17976 1 . LEU 139 139 17976 1 . ILE 140 140 17976 1 . SER 141 141 17976 1 . GLU 142 142 17976 1 . GLY 143 143 17976 1 . GLN 144 144 17976 1 . GLY 145 145 17976 1 . PHE 146 146 17976 1 . MET 147 147 17976 1 . THR 148 148 17976 1 . ARG 149 149 17976 1 . GLU 150 150 17976 1 . PHE 151 151 17976 1 . LEU 152 152 17976 1 . LYS 153 153 17976 1 . SER 154 154 17976 1 . LEU 155 155 17976 1 . ARG 156 156 17976 1 . LYS 157 157 17976 1 . PRO 158 158 17976 1 . PHE 159 159 17976 1 . GLY 160 160 17976 1 . ASP 161 161 17976 1 . PHE 162 162 17976 1 . MET 163 163 17976 1 . GLU 164 164 17976 1 . PRO 165 165 17976 1 . LYS 166 166 17976 1 . PHE 167 167 17976 1 . GLU 168 168 17976 1 . PHE 169 169 17976 1 . ALA 170 170 17976 1 . VAL 171 171 17976 1 . LYS 172 172 17976 1 . PHE 173 173 17976 1 . ASN 174 174 17976 1 . ALA 175 175 17976 1 . LEU 176 176 17976 1 . GLU 177 177 17976 1 . LEU 178 178 17976 1 . ASP 179 179 17976 1 . ASP 180 180 17976 1 . SER 181 181 17976 1 . ASP 182 182 17976 1 . LEU 183 183 17976 1 . ALA 184 184 17976 1 . ILE 185 185 17976 1 . PHE 186 186 17976 1 . ILE 187 187 17976 1 . ALA 188 188 17976 1 . VAL 189 189 17976 1 . ILE 190 190 17976 1 . ILE 191 191 17976 1 . LEU 192 192 17976 1 . SER 193 193 17976 1 . GLY 194 194 17976 1 . ASP 195 195 17976 1 . ARG 196 196 17976 1 . PRO 197 197 17976 1 . GLY 198 198 17976 1 . LEU 199 199 17976 1 . LEU 200 200 17976 1 . ASN 201 201 17976 1 . VAL 202 202 17976 1 . LYS 203 203 17976 1 . PRO 204 204 17976 1 . ILE 205 205 17976 1 . GLU 206 206 17976 1 . ASP 207 207 17976 1 . ILE 208 208 17976 1 . GLN 209 209 17976 1 . ASP 210 210 17976 1 . ASN 211 211 17976 1 . LEU 212 212 17976 1 . LEU 213 213 17976 1 . GLN 214 214 17976 1 . ALA 215 215 17976 1 . LEU 216 216 17976 1 . GLU 217 217 17976 1 . LEU 218 218 17976 1 . GLN 219 219 17976 1 . LEU 220 220 17976 1 . LYS 221 221 17976 1 . LEU 222 222 17976 1 . ASN 223 223 17976 1 . HIS 224 224 17976 1 . PRO 225 225 17976 1 . GLU 226 226 17976 1 . SER 227 227 17976 1 . SER 228 228 17976 1 . GLN 229 229 17976 1 . LEU 230 230 17976 1 . PHE 231 231 17976 1 . ALA 232 232 17976 1 . LYS 233 233 17976 1 . LEU 234 234 17976 1 . LEU 235 235 17976 1 . GLN 236 236 17976 1 . LYS 237 237 17976 1 . MET 238 238 17976 1 . THR 239 239 17976 1 . ASP 240 240 17976 1 . LEU 241 241 17976 1 . ARG 242 242 17976 1 . GLN 243 243 17976 1 . ILE 244 244 17976 1 . VAL 245 245 17976 1 . THR 246 246 17976 1 . GLU 247 247 17976 1 . HIS 248 248 17976 1 . VAL 249 249 17976 1 . GLN 250 250 17976 1 . LEU 251 251 17976 1 . LEU 252 252 17976 1 . GLN 253 253 17976 1 . VAL 254 254 17976 1 . ILE 255 255 17976 1 . LYS 256 256 17976 1 . LYS 257 257 17976 1 . THR 258 258 17976 1 . GLU 259 259 17976 1 . THR 260 260 17976 1 . ASP 261 261 17976 1 . MET 262 262 17976 1 . SER 263 263 17976 1 . LEU 264 264 17976 1 . HIS 265 265 17976 1 . PRO 266 266 17976 1 . LEU 267 267 17976 1 . LEU 268 268 17976 1 . GLN 269 269 17976 1 . GLU 270 270 17976 1 . ILE 271 271 17976 1 . TYR 272 272 17976 1 . LYS 273 273 17976 1 . ASP 274 274 17976 1 . LEU 275 275 17976 1 . TYR 276 276 17976 1 stop_ save_ save_241 _Entity.Sf_category entity _Entity.Sf_framecode 241 _Entity.Entry_ID 17976 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 241 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID 241 _Entity.Nonpolymer_comp_label $chem_comp_241 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . 241 . 17976 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17976 _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 $PPARgamma_LBD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17976 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 17976 _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 $PPARgamma_LBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-46 . . . . . . 17976 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_241 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_241 _Chem_comp.Entry_ID 17976 _Chem_comp.ID 241 _Chem_comp.Provenance . _Chem_comp.Name '(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code 241 _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date 2007-06-25 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 241 _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms MRL24 _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C28 H24 F3 N O6' _Chem_comp.Formula_weight 527.488 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 19 11:09:14 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4cccc(c4)OC(C)C(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 17976 241 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4cccc(c4)O[C@@H](C)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17976 241 COc1ccc(cc1)C(=O)n2c(C)c(Cc3cccc(O[C@@H](C)C(O)=O)c3)c4cc(OC(F)(F)F)ccc24 SMILES_CANONICAL CACTVS 3.341 17976 241 COc1ccc(cc1)C(=O)n2c(C)c(Cc3cccc(O[CH](C)C(O)=O)c3)c4cc(OC(F)(F)F)ccc24 SMILES CACTVS 3.341 17976 241 InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1 InChI InChI 1.03 17976 241 O=C(O)C(Oc1cccc(c1)Cc3c2cc(OC(F)(F)F)ccc2n(c3C)C(=O)c4ccc(OC)cc4)C SMILES ACDLabs 10.04 17976 241 OFCWBJAYEIROGZ-KRWDZBQOSA-N InChIKey InChI 1.03 17976 241 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-[3-({1-[(4-methoxyphenyl)carbonyl]-2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl}methyl)phenoxy]propanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 17976 241 '(2S)-2-[3-[[1-(4-methoxyphenyl)carbonyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17976 241 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CAA . CAA . . C . . N 0 . . . . no no . . . . -3.776 . 56.865 . 74.491 . 2.072 6.838 1.901 1 . 17976 241 OAV . OAV . . O . . N 0 . . . . no no . . . . -2.613 . 56.208 . 73.995 . 1.943 5.428 2.098 2 . 17976 241 CBC . CBC . . C . . N 0 . . . . yes no . . . . -2.021 . 56.920 . 72.995 . 1.201 4.745 1.190 3 . 17976 241 CAM . CAM . . C . . N 0 . . . . yes no . . . . -0.761 . 56.564 . 72.499 . 0.614 5.419 0.125 4 . 17976 241 CAO . CAO . . C . . N 0 . . . . yes no . . . . -0.181 . 57.304 . 71.467 . -0.139 4.730 -0.798 5 . 17976 241 CAN . CAN . . C . . N 0 . . . . yes no . . . . -2.692 . 58.008 . 72.439 . 1.035 3.371 1.324 6 . 17976 241 CAP . CAP . . C . . N 0 . . . . yes no . . . . -2.105 . 58.742 . 71.414 . 0.284 2.674 0.404 7 . 17976 241 CBF . CBF . . C . . N 0 . . . . yes no . . . . -0.852 . 58.403 . 70.921 . -0.313 3.349 -0.664 8 . 17976 241 CAZ . CAZ . . C . . N 0 . . . . no no . . . . -0.287 . 59.291 . 69.791 . -1.119 2.606 -1.651 9 . 17976 241 OAE . OAE . . O . . N 0 . . . . no no . . . . -1.078 . 59.833 . 69.022 . -1.713 3.206 -2.525 10 . 17976 241 NBK . NBK . . N . . N 0 . . . . yes no . . . . 1.044 . 59.519 . 69.656 . -1.198 1.263 -1.582 11 . 17976 241 CBB . CBB . . C . . N 0 . . . . yes no . . . . 1.718 . 59.652 . 68.501 . -0.287 0.388 -2.124 12 . 17976 241 CAB . CAB . . C . . N 0 . . . . no no . . . . 1.131 . 59.564 . 67.087 . 0.951 0.789 -2.883 13 . 17976 241 CBI . CBI . . C . . N 0 . . . . yes no . . . . 1.898 . 59.663 . 70.682 . -2.205 0.554 -0.951 14 . 17976 241 CAR . CAR . . C . . N 0 . . . . yes no . . . . 1.719 . 59.630 . 72.069 . -3.346 0.934 -0.254 15 . 17976 241 CAQ . CAQ . . C . . N 0 . . . . yes no . . . . 2.796 . 59.804 . 72.926 . -4.181 -0.025 0.276 16 . 17976 241 CBE . CBE . . C . . N 0 . . . . yes no . . . . 4.068 . 60.015 . 72.406 . -3.895 -1.378 0.120 17 . 17976 241 OAX . OAX . . O . . N 0 . . . . no no . . . . 5.118 . 60.198 . 73.258 . -4.729 -2.312 0.648 18 . 17976 241 CBL . CBL . . C . . N 0 . . . . no no . . . . 5.853 . 58.999 . 73.627 . -5.878 -1.834 1.350 19 . 17976 241 FAI . FAI . . F . . N 0 . . . . no no . . . . 5.083 . 58.105 . 74.256 . -5.470 -1.041 2.428 20 . 17976 241 FAG . FAG . . F . . N 0 . . . . no no . . . . 6.339 . 58.465 . 72.515 . -6.669 -1.071 0.483 21 . 17976 241 FAH . FAH . . F . . N 0 . . . . no no . . . . 6.859 . 59.331 . 74.454 . -6.621 -2.920 1.824 22 . 17976 241 CAT . CAT . . C . . N 0 . . . . yes no . . . . 4.254 . 60.062 . 71.022 . -2.766 -1.775 -0.571 23 . 17976 241 CBH . CBH . . C . . N 0 . . . . yes no . . . . 3.174 . 59.886 . 70.157 . -1.913 -0.811 -1.110 24 . 17976 241 CBG . CBG . . C . . N 0 . . . . yes no . . . . 3.062 . 59.892 . 68.767 . -0.663 -0.874 -1.875 25 . 17976 241 CAU . CAU . . C . . N 0 . . . . no no . . . . 4.204 . 60.069 . 67.736 . 0.065 -2.124 -2.299 26 . 17976 241 CBA . CBA . . C . . N 0 . . . . yes no . . . . 4.507 . 61.513 . 67.276 . 1.046 -2.522 -1.227 27 . 17976 241 CAS . CAS . . C . . N 0 . . . . yes no . . . . 3.648 . 62.602 . 67.484 . 2.337 -2.032 -1.256 28 . 17976 241 CAK . CAK . . C . . N 0 . . . . yes no . . . . 5.715 . 61.709 . 66.598 . 0.652 -3.374 -0.212 29 . 17976 241 CAJ . CAJ . . C . . N 0 . . . . yes no . . . . 6.073 . 62.973 . 66.137 . 1.549 -3.740 0.774 30 . 17976 241 CAL . CAL . . C . . N 0 . . . . yes no . . . . 5.217 . 64.055 . 66.352 . 2.843 -3.256 0.747 31 . 17976 241 CBD . CBD . . C . . N 0 . . . . yes no . . . . 3.997 . 63.877 . 67.008 . 3.240 -2.398 -0.268 32 . 17976 241 OAW . OAW . . O . . N 0 . . . . no no . . . . 3.201 . 64.977 . 67.213 . 4.510 -1.917 -0.295 33 . 17976 241 CBJ . CBJ . . C . . S 0 . . . . no no . . . . 2.101 . 65.379 . 66.310 . 5.402 -2.384 0.720 34 . 17976 241 CAC . CAC . . C . . N 0 . . . . no no . . . . 2.539 . 65.640 . 64.850 . 5.989 -3.734 0.302 35 . 17976 241 CAY . CAY . . C . . N 0 . . . . no no . . . . 0.869 . 64.444 . 66.436 . 6.517 -1.387 0.905 36 . 17976 241 OAD . OAD . . O . . N 0 . . . . no no . . . . -0.216 . 64.953 . 66.798 . 7.479 -1.617 1.813 37 . 17976 241 OAF . OAF . . O . . N 0 . . . . no no . . . . 1.007 . 63.230 . 66.193 . 6.545 -0.381 0.237 38 . 17976 241 HAA1 . HAA1 . . H . . N 0 . . . . no no . . . . -3.669 . 57.034 . 75.573 . 2.542 7.028 0.936 39 . 17976 241 HAA2 . HAA2 . . H . . N 0 . . . . no no . . . . -3.898 . 57.831 . 73.979 . 1.085 7.300 1.921 40 . 17976 241 HAA3 . HAA3 . . H . . N 0 . . . . no no . . . . -4.659 . 56.237 . 74.304 . 2.688 7.260 2.694 41 . 17976 241 HAM . HAM . . H . . N 0 . . . . no no . . . . -0.237 . 55.716 . 72.915 . 0.749 6.486 0.023 42 . 17976 241 HAO . HAO . . H . . N 0 . . . . no no . . . . 0.791 . 57.026 . 71.088 . -0.595 5.255 -1.624 43 . 17976 241 HAN . HAN . . H . . N 0 . . . . no no . . . . -3.670 . 58.282 . 72.805 . 1.497 2.850 2.149 44 . 17976 241 HAP . HAP . . H . . N 0 . . . . no no . . . . -2.631 . 59.587 . 70.996 . 0.156 1.606 0.509 45 . 17976 241 HAB1 . HAB1 . . H . . N 0 . . . . no no . . . . 0.033 . 59.543 . 67.146 . 1.784 0.899 -2.189 46 . 17976 241 HAB2 . HAB2 . . H . . N 0 . . . . no no . . . . 1.450 . 60.440 . 66.503 . 1.191 0.021 -3.619 47 . 17976 241 HAB3 . HAB3 . . H . . N 0 . . . . no no . . . . 1.489 . 58.646 . 66.598 . 0.775 1.737 -3.392 48 . 17976 241 HAR . HAR . . H . . N 0 . . . . no no . . . . 0.732 . 59.467 . 72.477 . -3.577 1.982 -0.127 49 . 17976 241 HAQ . HAQ . . H . . N 0 . . . . no no . . . . 2.647 . 59.776 . 73.995 . -5.066 0.276 0.817 50 . 17976 241 HAT . HAT . . H . . N 0 . . . . no no . . . . 5.241 . 60.236 . 70.619 . -2.544 -2.825 -0.691 51 . 17976 241 HAU1 . HAU1 . . H . . N 0 . . . . no no . . . . 5.122 . 59.677 . 68.199 . -0.654 -2.929 -2.451 52 . 17976 241 HAU2 . HAU2 . . H . . N 0 . . . . no no . . . . 3.869 . 59.538 . 66.833 . 0.600 -1.935 -3.229 53 . 17976 241 HAS . HAS . . H . . N 0 . . . . no no . . . . 2.716 . 62.460 . 68.011 . 2.644 -1.363 -2.047 54 . 17976 241 HAK . HAK . . H . . N 0 . . . . no no . . . . 6.376 . 60.872 . 66.431 . -0.359 -3.753 -0.188 55 . 17976 241 HAJ . HAJ . . H . . N 0 . . . . no no . . . . 7.008 . 63.116 . 65.616 . 1.239 -4.405 1.567 56 . 17976 241 HAL . HAL . . H . . N 0 . . . . no no . . . . 5.501 . 65.039 . 66.008 . 3.543 -3.543 1.518 57 . 17976 241 HBJ . HBJ . . H . . N 0 . . . . no no . . . . 1.774 . 66.368 . 66.664 . 4.858 -2.498 1.657 58 . 17976 241 HAC1 . HAC1 . . H . . N 0 . . . . no no . . . . 1.650 . 65.702 . 64.205 . 6.669 -4.089 1.076 59 . 17976 241 HAC2 . HAC2 . . H . . N 0 . . . . no no . . . . 3.096 . 66.587 . 64.798 . 5.182 -4.454 0.168 60 . 17976 241 HAC3 . HAC3 . . H . . N 0 . . . . no no . . . . 3.183 . 64.816 . 64.508 . 6.533 -3.619 -0.635 61 . 17976 241 HOAD . HOAD . . H . . N 0 . . . . no no . . . . -0.881 . 64.277 . 66.851 . 8.173 -0.949 1.896 62 . 17976 241 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING CAA OAV no N 1 . 17976 241 2 . SING CAA HAA1 no N 2 . 17976 241 3 . SING CAA HAA2 no N 3 . 17976 241 4 . SING CAA HAA3 no N 4 . 17976 241 5 . SING OAV CBC no N 5 . 17976 241 6 . DOUB CBC CAN yes N 6 . 17976 241 7 . SING CBC CAM yes N 7 . 17976 241 8 . DOUB CAM CAO yes N 8 . 17976 241 9 . SING CAM HAM no N 9 . 17976 241 10 . SING CAO CBF yes N 10 . 17976 241 11 . SING CAO HAO no N 11 . 17976 241 12 . SING CAN CAP yes N 12 . 17976 241 13 . SING CAN HAN no N 13 . 17976 241 14 . DOUB CAP CBF yes N 14 . 17976 241 15 . SING CAP HAP no N 15 . 17976 241 16 . SING CBF CAZ no N 16 . 17976 241 17 . DOUB CAZ OAE no N 17 . 17976 241 18 . SING CAZ NBK no N 18 . 17976 241 19 . SING NBK CBB yes N 19 . 17976 241 20 . SING NBK CBI yes N 20 . 17976 241 21 . SING CBB CAB no N 21 . 17976 241 22 . DOUB CBB CBG yes N 22 . 17976 241 23 . SING CAB HAB1 no N 23 . 17976 241 24 . SING CAB HAB2 no N 24 . 17976 241 25 . SING CAB HAB3 no N 25 . 17976 241 26 . DOUB CBI CBH yes N 26 . 17976 241 27 . SING CBI CAR yes N 27 . 17976 241 28 . DOUB CAR CAQ yes N 28 . 17976 241 29 . SING CAR HAR no N 29 . 17976 241 30 . SING CAQ CBE yes N 30 . 17976 241 31 . SING CAQ HAQ no N 31 . 17976 241 32 . DOUB CBE CAT yes N 32 . 17976 241 33 . SING CBE OAX no N 33 . 17976 241 34 . SING OAX CBL no N 34 . 17976 241 35 . SING CBL FAG no N 35 . 17976 241 36 . SING CBL FAI no N 36 . 17976 241 37 . SING CBL FAH no N 37 . 17976 241 38 . SING CAT CBH yes N 38 . 17976 241 39 . SING CAT HAT no N 39 . 17976 241 40 . SING CBH CBG yes N 40 . 17976 241 41 . SING CBG CAU no N 41 . 17976 241 42 . SING CAU CBA no N 42 . 17976 241 43 . SING CAU HAU1 no N 43 . 17976 241 44 . SING CAU HAU2 no N 44 . 17976 241 45 . DOUB CBA CAK yes N 45 . 17976 241 46 . SING CBA CAS yes N 46 . 17976 241 47 . DOUB CAS CBD yes N 47 . 17976 241 48 . SING CAS HAS no N 48 . 17976 241 49 . SING CAK CAJ yes N 49 . 17976 241 50 . SING CAK HAK no N 50 . 17976 241 51 . DOUB CAJ CAL yes N 51 . 17976 241 52 . SING CAJ HAJ no N 52 . 17976 241 53 . SING CAL CBD yes N 53 . 17976 241 54 . SING CAL HAL no N 54 . 17976 241 55 . SING CBD OAW no N 55 . 17976 241 56 . SING OAW CBJ no N 56 . 17976 241 57 . SING CBJ CAC no N 57 . 17976 241 58 . SING CBJ CAY no N 58 . 17976 241 59 . SING CBJ HBJ no N 59 . 17976 241 60 . SING CAC HAC1 no N 60 . 17976 241 61 . SING CAC HAC2 no N 61 . 17976 241 62 . SING CAC HAC3 no N 62 . 17976 241 63 . DOUB CAY OAF no N 63 . 17976 241 64 . SING CAY OAD no N 64 . 17976 241 65 . SING OAD HOAD no N 65 . 17976 241 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17976 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PPARgamma LBD' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $PPARgamma_LBD . . 1 . . mM . . . . 17976 1 2 MRL24 'natural abundance' . . 2 $241 . . 1 . . mM . . . . 17976 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17976 _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 'ionic strength' 50 . mM 17976 1 pH 7.4 . pH 17976 1 pressure 1 . atm 17976 1 temperature 298 . K 17976 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17976 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17976 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17976 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17976 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17976 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17976 2 'data analysis' 17976 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17976 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17976 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17976 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17976 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17976 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 17976 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 17976 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D TROSY-HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17976 1 2 '3D TROSY-HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17976 1 3 '3D TROSY-HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17976 1 4 '3D TROSY-HN(CA)CB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17976 1 5 '3D TROSY-HN(COCA)CB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17976 1 6 '3D 1H-15N TROSY-NOESY-HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17976 1 7 '2D 1H-15N TROSY-HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17976 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17976 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17976 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 na indirect 0.251449530 . . . . . . . . . 17976 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 17976 1 N 15 water protons . . . . ppm 4.7 na indirect 0.101329118 . . . . . . . . . 17976 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17976 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D TROSY-HNCO' . . . 17976 1 2 '3D TROSY-HNCA' . . . 17976 1 3 '3D TROSY-HN(CO)CA' . . . 17976 1 4 '3D TROSY-HN(CA)CB' . . . 17976 1 5 '3D TROSY-HN(COCA)CB' . . . 17976 1 6 '3D 1H-15N TROSY-NOESY-HSQC' . . . 17976 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 2 2 GLN C C 13 175.8224 0.0000 . 1 . 44983 . . 203 GLN C . 17976 1 2 . 1 1 2 2 GLN CA C 13 55.4021 0.0000 . 1 . 40666 . . 203 GLN CA . 17976 1 3 . 1 1 2 2 GLN CB C 13 29.0407 0.0000 . 1 . 44047 . . 203 GLN CB . 17976 1 4 . 1 1 3 3 LEU H H 1 8.3673 0.0000 . 1 . 41750 . . 204 LEU H . 17976 1 5 . 1 1 3 3 LEU C C 13 176.6239 0.0000 . 1 . . . . 204 LEU C . 17976 1 6 . 1 1 3 3 LEU CA C 13 54.6629 0.0000 . 1 . 40915 . . 204 LEU CA . 17976 1 7 . 1 1 3 3 LEU N N 15 124.0978 0.0000 . 1 . 41751 . . 204 LEU N . 17976 1 8 . 1 1 4 4 ASN H H 1 8.4561 0.0000 . 1 . 43415 . . 205 ASN H . 17976 1 9 . 1 1 4 4 ASN CA C 13 51.0569 0.0000 . 1 . 40924 . . 205 ASN CA . 17976 1 10 . 1 1 4 4 ASN N N 15 121.2610 0.0000 . 1 . 43416 . . 205 ASN N . 17976 1 11 . 1 1 5 5 PRO C C 13 177.2332 0.0000 . 1 . 44800 . . 206 PRO C . 17976 1 12 . 1 1 5 5 PRO CA C 13 63.3881 0.0000 . 1 . 40948 . . 206 PRO CA . 17976 1 13 . 1 1 6 6 GLU H H 1 8.5769 0.0000 . 1 . 44798 . . 207 GLU H . 17976 1 14 . 1 1 6 6 GLU C C 13 177.3887 0.0000 . 1 . . . . 207 GLU C . 17976 1 15 . 1 1 6 6 GLU CA C 13 56.3280 0.0000 . 1 . 41008 . . 207 GLU CA . 17976 1 16 . 1 1 6 6 GLU CB C 13 28.4538 0.0000 . 1 . 46878 . . 207 GLU CB . 17976 1 17 . 1 1 6 6 GLU N N 15 120.1606 0.0000 . 1 . 44799 . . 207 GLU N . 17976 1 18 . 1 1 7 7 SER H H 1 8.2127 0.0000 . 1 . 42077 . . 208 SER H . 17976 1 19 . 1 1 7 7 SER C C 13 175.2883 0.0000 . 1 . . . . 208 SER C . 17976 1 20 . 1 1 7 7 SER CA C 13 59.5155 0.0000 . 1 . 41203 . . 208 SER CA . 17976 1 21 . 1 1 7 7 SER CB C 13 62.8800 0.0000 . 1 . 43642 . . 208 SER CB . 17976 1 22 . 1 1 7 7 SER N N 15 117.3134 0.0000 . 1 . 42078 . . 208 SER N . 17976 1 23 . 1 1 8 8 ALA H H 1 8.3499 0.0000 . 1 . 40619 . . 209 ALA H . 17976 1 24 . 1 1 8 8 ALA C C 13 179.5193 0.0000 . 1 . . . . 209 ALA C . 17976 1 25 . 1 1 8 8 ALA CA C 13 53.9773 0.0000 . 1 . 41035 . . 209 ALA CA . 17976 1 26 . 1 1 8 8 ALA CB C 13 17.7116 0.0000 . 1 . 46872 . . 209 ALA CB . 17976 1 27 . 1 1 8 8 ALA N N 15 124.9726 0.0000 . 1 . 40620 . . 209 ALA N . 17976 1 28 . 1 1 9 9 ASP H H 1 7.9537 0.0000 . 1 . 41033 . . 210 ASP H . 17976 1 29 . 1 1 9 9 ASP C C 13 178.6212 0.0000 . 1 . . . . 210 ASP C . 17976 1 30 . 1 1 9 9 ASP CA C 13 55.3618 0.0000 . 1 . 40753 . . 210 ASP CA . 17976 1 31 . 1 1 9 9 ASP CB C 13 39.7719 0.0000 . 1 . 43282 . . 210 ASP CB . 17976 1 32 . 1 1 9 9 ASP N N 15 119.3597 0.0000 . 1 . 41034 . . 210 ASP N . 17976 1 33 . 1 1 10 10 LEU H H 1 8.0347 0.0000 . 1 . 40751 . . 211 LEU H . 17976 1 34 . 1 1 10 10 LEU C C 13 181.3189 0.0000 . 1 . . . . 211 LEU C . 17976 1 35 . 1 1 10 10 LEU CA C 13 57.2089 0.0000 . 1 . 40726 . . 211 LEU CA . 17976 1 36 . 1 1 10 10 LEU CB C 13 41.5397 0.0000 . 1 . 46734 . . 211 LEU CB . 17976 1 37 . 1 1 10 10 LEU N N 15 122.7427 0.0000 . 1 . 40752 . . 211 LEU N . 17976 1 38 . 1 1 11 11 ARG H H 1 8.2830 0.0000 . 1 . 44369 . . 212 ARG H . 17976 1 39 . 1 1 11 11 ARG C C 13 179.1139 0.0000 . 1 . . . . 212 ARG C . 17976 1 40 . 1 1 11 11 ARG CA C 13 56.9299 0.0000 . 1 . 40864 . . 212 ARG CA . 17976 1 41 . 1 1 11 11 ARG CB C 13 26.6540 0.0000 . 1 . 43420 . . 212 ARG CB . 17976 1 42 . 1 1 11 11 ARG N N 15 120.9648 0.0000 . 1 . 44370 . . 212 ARG N . 17976 1 43 . 1 1 12 12 ALA H H 1 8.0944 0.0000 . 1 . 44393 . . 213 ALA H . 17976 1 44 . 1 1 12 12 ALA C C 13 180.8508 0.0000 . 1 . . . . 213 ALA C . 17976 1 45 . 1 1 12 12 ALA CA C 13 54.5793 0.0000 . 1 . 40633 . . 213 ALA CA . 17976 1 46 . 1 1 12 12 ALA CB C 13 16.9314 0.0000 . 1 . 45275 . . 213 ALA CB . 17976 1 47 . 1 1 12 12 ALA N N 15 125.1209 0.0000 . 1 . 44394 . . 213 ALA N . 17976 1 48 . 1 1 13 13 LEU H H 1 7.8674 0.0000 . 1 . 40916 . . 214 LEU H . 17976 1 49 . 1 1 13 13 LEU C C 13 177.8819 0.0000 . 1 . . . . 214 LEU C . 17976 1 50 . 1 1 13 13 LEU CA C 13 57.3806 0.0000 . 1 . 40870 . . 214 LEU CA . 17976 1 51 . 1 1 13 13 LEU CB C 13 40.5631 0.0000 . 1 . 46863 . . 214 LEU CB . 17976 1 52 . 1 1 13 13 LEU N N 15 121.6540 0.0000 . 1 . 40917 . . 214 LEU N . 17976 1 53 . 1 1 14 14 ALA H H 1 7.4937 0.0000 . 1 . 44669 . . 215 ALA H . 17976 1 54 . 1 1 14 14 ALA C C 13 179.7497 0.0000 . 1 . . . . 215 ALA C . 17976 1 55 . 1 1 14 14 ALA CA C 13 55.6506 0.0000 . 1 . 41014 . . 215 ALA CA . 17976 1 56 . 1 1 14 14 ALA CB C 13 18.2975 0.0000 . 1 . 46860 . . 215 ALA CB . 17976 1 57 . 1 1 14 14 ALA N N 15 120.3369 0.0000 . 1 . 44670 . . 215 ALA N . 17976 1 58 . 1 1 15 15 LYS H H 1 7.8674 0.0000 . 1 . 44150 . . 216 LYS H . 17976 1 59 . 1 1 15 15 LYS C C 13 177.5149 0.0000 . 1 . . . . 216 LYS C . 17976 1 60 . 1 1 15 15 LYS CA C 13 58.7427 0.0000 . 1 . 40972 . . 216 LYS CA . 17976 1 61 . 1 1 15 15 LYS CB C 13 31.4045 0.0000 . 1 . 46857 . . 216 LYS CB . 17976 1 62 . 1 1 15 15 LYS N N 15 120.1272 0.0000 . 1 . 44151 . . 216 LYS N . 17976 1 63 . 1 1 16 16 HIS H H 1 8.3121 0.0000 . 1 . 40970 . . 217 HIS H . 17976 1 64 . 1 1 16 16 HIS C C 13 179.3531 0.0000 . 1 . . . . 217 HIS C . 17976 1 65 . 1 1 16 16 HIS CA C 13 59.6968 0.0000 . 1 . 41995 . . 217 HIS CA . 17976 1 66 . 1 1 16 16 HIS CB C 13 30.5141 0.0000 . 1 . 43408 . . 217 HIS CB . 17976 1 67 . 1 1 16 16 HIS N N 15 120.3507 0.0000 . 1 . 40971 . . 217 HIS N . 17976 1 68 . 1 1 17 17 LEU H H 1 8.4264 0.0000 . 1 . 41081 . . 218 LEU H . 17976 1 69 . 1 1 17 17 LEU C C 13 178.5367 0.0000 . 1 . . . . 218 LEU C . 17976 1 70 . 1 1 17 17 LEU CA C 13 57.2396 0.0000 . 1 . 41116 . . 218 LEU CA . 17976 1 71 . 1 1 17 17 LEU CB C 13 38.9815 0.0000 . 1 . 44161 . . 218 LEU CB . 17976 1 72 . 1 1 17 17 LEU N N 15 119.0837 0.0000 . 1 . 41082 . . 218 LEU N . 17976 1 73 . 1 1 18 18 TYR H H 1 8.2055 0.0000 . 1 . 44561 . . 219 TYR H . 17976 1 74 . 1 1 18 18 TYR C C 13 176.6599 0.0000 . 1 . . . . 219 TYR C . 17976 1 75 . 1 1 18 18 TYR CA C 13 60.4451 0.0000 . 1 . 41917 . . 219 TYR CA . 17976 1 76 . 1 1 18 18 TYR CB C 13 36.6569 0.0000 . 1 . 46848 . . 219 TYR CB . 17976 1 77 . 1 1 18 18 TYR N N 15 120.7578 0.0000 . 1 . 44562 . . 219 TYR N . 17976 1 78 . 1 1 19 19 ASP H H 1 8.6869 0.0000 . 1 . 40952 . . 220 ASP H . 17976 1 79 . 1 1 19 19 ASP C C 13 179.6578 0.0000 . 1 . . . . 220 ASP C . 17976 1 80 . 1 1 19 19 ASP CA C 13 57.0700 0.0000 . 1 . 42145 . . 220 ASP CA . 17976 1 81 . 1 1 19 19 ASP CB C 13 39.1959 0.0000 . 1 . 46845 . . 220 ASP CB . 17976 1 82 . 1 1 19 19 ASP N N 15 119.7676 0.0000 . 1 . 40953 . . 220 ASP N . 17976 1 83 . 1 1 20 20 SER H H 1 7.9266 0.0000 . 1 . 41327 . . 221 SER H . 17976 1 84 . 1 1 20 20 SER C C 13 176.4300 0.0000 . 1 . . . . 221 SER C . 17976 1 85 . 1 1 20 20 SER CA C 13 60.8454 0.0000 . 1 . 41296 . . 221 SER CA . 17976 1 86 . 1 1 20 20 SER N N 15 115.5315 0.0000 . 1 . 41328 . . 221 SER N . 17976 1 87 . 1 1 21 21 TYR H H 1 9.0749 0.0000 . 1 . 44882 . . 222 TYR H . 17976 1 88 . 1 1 21 21 TYR C C 13 176.4288 0.0000 . 1 . . . . 222 TYR C . 17976 1 89 . 1 1 21 21 TYR CA C 13 60.8338 0.0000 . 1 . 47160 . . 222 TYR CA . 17976 1 90 . 1 1 21 21 TYR N N 15 129.2068 0.0000 . 1 . 44883 . . 222 TYR N . 17976 1 91 . 1 1 22 22 ILE H H 1 8.3358 0.0000 . 1 . 44927 . . 223 ILE H . 17976 1 92 . 1 1 22 22 ILE C C 13 178.9530 0.0000 . 1 . . . . 223 ILE C . 17976 1 93 . 1 1 22 22 ILE CA C 13 61.5764 0.0000 . 1 . 47169 . . 223 ILE CA . 17976 1 94 . 1 1 22 22 ILE CB C 13 35.6654 0.0000 . 1 . 47175 . . 223 ILE CB . 17976 1 95 . 1 1 22 22 ILE N N 15 117.9077 0.0000 . 1 . 44928 . . 223 ILE N . 17976 1 96 . 1 1 23 23 LYS H H 1 7.1777 0.0000 . 1 . 42311 . . 224 LYS H . 17976 1 97 . 1 1 23 23 LYS C C 13 178.0249 0.0000 . 1 . . . . 224 LYS C . 17976 1 98 . 1 1 23 23 LYS CA C 13 58.0968 0.0000 . 1 . 45428 . . 224 LYS CA . 17976 1 99 . 1 1 23 23 LYS CB C 13 31.7714 0.0000 . 1 . 43600 . . 224 LYS CB . 17976 1 100 . 1 1 23 23 LYS N N 15 118.6734 0.0000 . 1 . 42312 . . 224 LYS N . 17976 1 101 . 1 1 24 24 SER H H 1 7.4693 0.0000 . 1 . 44732 . . 225 SER H . 17976 1 102 . 1 1 24 24 SER C C 13 172.6310 0.0000 . 1 . . . . 225 SER C . 17976 1 103 . 1 1 24 24 SER CA C 13 61.2273 0.0000 . 1 . 41395 . . 225 SER CA . 17976 1 104 . 1 1 24 24 SER CB C 13 63.9765 0.0000 . 1 . 43774 . . 225 SER CB . 17976 1 105 . 1 1 24 24 SER N N 15 114.7873 0.0000 . 1 . 44733 . . 225 SER N . 17976 1 106 . 1 1 25 25 PHE H H 1 7.3217 0.0000 . 1 . 45167 . . 226 PHE H . 17976 1 107 . 1 1 25 25 PHE CA C 13 53.2484 0.0000 . 1 . 41164 . . 226 PHE CA . 17976 1 108 . 1 1 25 25 PHE CB C 13 37.6344 0.0000 . 1 . 45324 . . 226 PHE CB . 17976 1 109 . 1 1 25 25 PHE N N 15 118.7128 0.0000 . 1 . 45168 . . 226 PHE N . 17976 1 110 . 1 1 26 26 PRO C C 13 177.8832 0.0000 . 1 . 44677 . . 227 PRO C . 17976 1 111 . 1 1 26 26 PRO CA C 13 63.9305 0.0000 . 1 . 40936 . . 227 PRO CA . 17976 1 112 . 1 1 27 27 LEU H H 1 7.8786 0.0000 . 1 . 44228 . . 228 LEU H . 17976 1 113 . 1 1 27 27 LEU C C 13 174.4945 0.0000 . 1 . . . . 228 LEU C . 17976 1 114 . 1 1 27 27 LEU CA C 13 53.3105 0.0000 . 1 . 41434 . . 228 LEU CA . 17976 1 115 . 1 1 27 27 LEU CB C 13 39.6759 0.0000 . 1 . 46908 . . 228 LEU CB . 17976 1 116 . 1 1 27 27 LEU N N 15 119.9567 0.0000 . 1 . 44229 . . 228 LEU N . 17976 1 117 . 1 1 28 28 THR H H 1 6.6428 0.0000 . 1 . 41432 . . 229 THR H . 17976 1 118 . 1 1 28 28 THR C C 13 173.7835 0.0000 . 1 . . . . 229 THR C . 17976 1 119 . 1 1 28 28 THR CA C 13 59.3828 0.0000 . 1 . 41719 . . 229 THR CA . 17976 1 120 . 1 1 28 28 THR CB C 13 69.6843 0.0000 . 1 . 43867 . . 229 THR CB . 17976 1 121 . 1 1 28 28 THR N N 15 113.2075 0.0000 . 1 . 41433 . . 229 THR N . 17976 1 122 . 1 1 29 29 LYS H H 1 10.0995 0.0000 . 1 . 45128 . . 230 LYS H . 17976 1 123 . 1 1 29 29 LYS C C 13 179.1191 0.0000 . 1 . . . . 230 LYS C . 17976 1 124 . 1 1 29 29 LYS CA C 13 60.7682 0.0000 . 1 . 40612 . . 230 LYS CA . 17976 1 125 . 1 1 29 29 LYS CB C 13 31.1891 0.0000 . 1 . 45469 . . 230 LYS CB . 17976 1 126 . 1 1 29 29 LYS N N 15 125.4718 0.0000 . 1 . 45129 . . 230 LYS N . 17976 1 127 . 1 1 30 30 ALA H H 1 9.2755 0.0000 . 1 . 40811 . . 231 ALA H . 17976 1 128 . 1 1 30 30 ALA C C 13 181.6640 0.0000 . 1 . . . . 231 ALA C . 17976 1 129 . 1 1 30 30 ALA CA C 13 54.7863 0.0000 . 1 . 41149 . . 231 ALA CA . 17976 1 130 . 1 1 30 30 ALA CB C 13 17.4809 0.0000 . 1 . 45366 . . 231 ALA CB . 17976 1 131 . 1 1 30 30 ALA N N 15 120.9659 0.0000 . 1 . 40812 . . 231 ALA N . 17976 1 132 . 1 1 31 31 LYS H H 1 7.5639 0.0000 . 1 . 42029 . . 232 LYS H . 17976 1 133 . 1 1 31 31 LYS C C 13 178.8161 0.0000 . 1 . . . . 232 LYS C . 17976 1 134 . 1 1 31 31 LYS CA C 13 58.8721 0.0000 . 1 . 41596 . . 232 LYS CA . 17976 1 135 . 1 1 31 31 LYS CB C 13 31.9694 0.0000 . 1 . 46899 . . 232 LYS CB . 17976 1 136 . 1 1 31 31 LYS N N 15 118.9561 0.0000 . 1 . 42030 . . 232 LYS N . 17976 1 137 . 1 1 32 32 ALA H H 1 8.2924 0.0000 . 1 . 44186 . . 233 ALA H . 17976 1 138 . 1 1 32 32 ALA C C 13 179.8590 0.0000 . 1 . . . . 233 ALA C . 17976 1 139 . 1 1 32 32 ALA CA C 13 54.9358 0.0000 . 1 . 42154 . . 233 ALA CA . 17976 1 140 . 1 1 32 32 ALA CB C 13 18.6538 0.0000 . 1 . 44167 . . 233 ALA CB . 17976 1 141 . 1 1 32 32 ALA N N 15 122.4601 0.0000 . 1 . 44187 . . 233 ALA N . 17976 1 142 . 1 1 33 33 ARG H H 1 9.1044 0.0000 . 1 . 42152 . . 234 ARG H . 17976 1 143 . 1 1 33 33 ARG C C 13 179.5224 0.0000 . 1 . . . . 234 ARG C . 17976 1 144 . 1 1 33 33 ARG CA C 13 57.8290 0.0000 . 1 . 41311 . . 234 ARG CA . 17976 1 145 . 1 1 33 33 ARG CB C 13 27.6725 0.0000 . 1 . 46893 . . 234 ARG CB . 17976 1 146 . 1 1 33 33 ARG N N 15 116.2901 0.0000 . 1 . 42153 . . 234 ARG N . 17976 1 147 . 1 1 34 34 ALA H H 1 7.4982 0.0000 . 1 . 41795 . . 235 ALA H . 17976 1 148 . 1 1 34 34 ALA C C 13 179.5800 0.0000 . 1 . . . . 235 ALA C . 17976 1 149 . 1 1 34 34 ALA CA C 13 54.7704 0.0000 . 1 . 40759 . . 235 ALA CA . 17976 1 150 . 1 1 34 34 ALA CB C 13 16.9358 0.0000 . 1 . 44137 . . 235 ALA CB . 17976 1 151 . 1 1 34 34 ALA N N 15 122.9745 0.0000 . 1 . 41796 . . 235 ALA N . 17976 1 152 . 1 1 35 35 ILE H H 1 7.5096 0.0000 . 1 . 41060 . . 236 ILE H . 17976 1 153 . 1 1 35 35 ILE C C 13 179.4295 0.0000 . 1 . . . . 236 ILE C . 17976 1 154 . 1 1 35 35 ILE CA C 13 64.5150 0.0000 . 1 . 41062 . . 236 ILE CA . 17976 1 155 . 1 1 35 35 ILE CB C 13 37.6334 0.0000 . 1 . 46887 . . 236 ILE CB . 17976 1 156 . 1 1 35 35 ILE N N 15 118.6258 0.0000 . 1 . 41061 . . 236 ILE N . 17976 1 157 . 1 1 36 36 LEU H H 1 8.4691 0.0000 . 1 . 44450 . . 237 LEU H . 17976 1 158 . 1 1 36 36 LEU C C 13 178.6706 0.0000 . 1 . . . . 237 LEU C . 17976 1 159 . 1 1 36 36 LEU CA C 13 57.0214 0.0000 . 1 . 41518 . . 237 LEU CA . 17976 1 160 . 1 1 36 36 LEU CB C 13 41.5786 0.0000 . 1 . 44002 . . 237 LEU CB . 17976 1 161 . 1 1 36 36 LEU N N 15 119.3955 0.0000 . 1 . 44451 . . 237 LEU N . 17976 1 162 . 1 1 37 37 THR H H 1 7.7811 0.0000 . 1 . 41516 . . 238 THR H . 17976 1 163 . 1 1 37 37 THR C C 13 175.4795 0.0000 . 1 . . . . 238 THR C . 17976 1 164 . 1 1 37 37 THR CA C 13 61.5917 0.0000 . 1 . 42235 . . 238 THR CA . 17976 1 165 . 1 1 37 37 THR CB C 13 69.7207 0.0000 . 1 . 43936 . . 238 THR CB . 17976 1 166 . 1 1 37 37 THR N N 15 108.0242 0.0000 . 1 . 41517 . . 238 THR N . 17976 1 167 . 1 1 38 38 GLY H H 1 7.4762 0.0000 . 1 . 45056 . . 239 GLY H . 17976 1 168 . 1 1 38 38 GLY C C 13 174.6718 0.0000 . 1 . . . . 239 GLY C . 17976 1 169 . 1 1 38 38 GLY CA C 13 45.8275 0.0000 . 1 . 41497 . . 239 GLY CA . 17976 1 170 . 1 1 38 38 GLY N N 15 110.5306 0.0000 . 1 . 45057 . . 239 GLY N . 17976 1 171 . 1 1 39 39 LYS H H 1 8.2074 0.0000 . 1 . 45095 . . 240 LYS H . 17976 1 172 . 1 1 39 39 LYS C C 13 176.9294 0.0000 . 1 . . . . 240 LYS C . 17976 1 173 . 1 1 39 39 LYS CA C 13 55.5744 0.0000 . 1 . 40903 . . 240 LYS CA . 17976 1 174 . 1 1 39 39 LYS N N 15 120.6187 0.0000 . 1 . 45096 . . 240 LYS N . 17976 1 175 . 1 1 40 40 THR H H 1 7.8425 0.0000 . 1 . 42197 . . 241 THR H . 17976 1 176 . 1 1 40 40 THR CA C 13 60.8073 0.0000 . 1 . 41419 . . 241 THR CA . 17976 1 177 . 1 1 40 40 THR N N 15 113.5531 0.0000 . 1 . 42198 . . 241 THR N . 17976 1 178 . 1 1 41 41 THR C C 13 175.0768 0.0000 . 1 . 44995 . . 242 THR C . 17976 1 179 . 1 1 42 42 ASP H H 1 8.2964 0.0000 . 1 . 44993 . . 243 ASP H . 17976 1 180 . 1 1 42 42 ASP C C 13 175.8070 0.0000 . 1 . 45013 . . 243 ASP C . 17976 1 181 . 1 1 42 42 ASP CA C 13 54.4575 0.0000 . 1 . 41959 . . 243 ASP CA . 17976 1 182 . 1 1 42 42 ASP CB C 13 40.3148 0.0000 . 1 . 44299 . . 243 ASP CB . 17976 1 183 . 1 1 42 42 ASP N N 15 121.3821 0.0000 . 1 . 44994 . . 243 ASP N . 17976 1 184 . 1 1 43 43 LYS H H 1 7.9132 0.0000 . 1 . 45011 . . 244 LYS H . 17976 1 185 . 1 1 43 43 LYS C C 13 176.0452 0.0000 . 1 . . . . 244 LYS C . 17976 1 186 . 1 1 43 43 LYS CA C 13 55.1156 0.0000 . 1 . 41017 . . 244 LYS CA . 17976 1 187 . 1 1 43 43 LYS CB C 13 31.9704 0.0000 . 1 . 44296 . . 244 LYS CB . 17976 1 188 . 1 1 43 43 LYS N N 15 119.7716 0.0000 . 1 . 45012 . . 244 LYS N . 17976 1 189 . 1 1 44 44 SER H H 1 8.0452 0.0000 . 1 . 41951 . . 245 SER H . 17976 1 190 . 1 1 44 44 SER CA C 13 56.9107 0.0000 . 1 . 40999 . . 245 SER CA . 17976 1 191 . 1 1 44 44 SER CB C 13 62.5656 0.0000 . 1 . 43447 . . 245 SER CB . 17976 1 192 . 1 1 44 44 SER N N 15 119.5539 0.0000 . 1 . 41952 . . 245 SER N . 17976 1 193 . 1 1 45 45 PRO C C 13 176.7629 0.0000 . 1 . 44989 . . 246 PRO C . 17976 1 194 . 1 1 45 45 PRO CA C 13 62.3543 0.0000 . 1 . 40606 . . 246 PRO CA . 17976 1 195 . 1 1 46 46 PHE H H 1 7.9434 0.0000 . 1 . 44987 . . 247 PHE H . 17976 1 196 . 1 1 46 46 PHE C C 13 174.9070 0.0000 . 1 . . . . 247 PHE C . 17976 1 197 . 1 1 46 46 PHE CA C 13 58.5074 0.0000 . 1 . 56248 . . 247 PHE CA . 17976 1 198 . 1 1 46 46 PHE N N 15 124.7738 0.0000 . 1 . 44988 . . 247 PHE N . 17976 1 199 . 1 1 47 47 VAL H H 1 7.9295 0.0000 . 1 . 41678 . . 248 VAL H . 17976 1 200 . 1 1 47 47 VAL C C 13 174.5372 0.0000 . 1 . . . . 248 VAL C . 17976 1 201 . 1 1 47 47 VAL CA C 13 62.7397 0.0000 . 1 . 56249 . . 248 VAL CA . 17976 1 202 . 1 1 47 47 VAL CB C 13 31.1891 0.0000 . 1 . 44314 . . 248 VAL CB . 17976 1 203 . 1 1 47 47 VAL N N 15 129.8669 0.0000 . 1 . 41679 . . 248 VAL N . 17976 1 204 . 1 1 48 48 ILE H H 1 9.2256 0.0000 . 1 . 44309 . . 249 ILE H . 17976 1 205 . 1 1 48 48 ILE C C 13 173.4159 0.0000 . 1 . . . . 249 ILE C . 17976 1 206 . 1 1 48 48 ILE CA C 13 60.8025 0.0000 . 1 . 46527 . . 249 ILE CA . 17976 1 207 . 1 1 48 48 ILE N N 15 128.2828 0.0000 . 1 . 44310 . . 249 ILE N . 17976 1 208 . 1 1 49 49 TYR H H 1 8.0407 0.0000 . 1 . 45131 . . 250 TYR H . 17976 1 209 . 1 1 49 49 TYR C C 13 173.5853 0.0000 . 1 . . . . 250 TYR C . 17976 1 210 . 1 1 49 49 TYR CA C 13 54.3523 0.0000 . 1 . 42343 . . 250 TYR CA . 17976 1 211 . 1 1 49 49 TYR N N 15 122.2851 0.0000 . 1 . 45132 . . 250 TYR N . 17976 1 212 . 1 1 50 50 ASP H H 1 7.3016 0.0000 . 1 . 44060 . . 251 ASP H . 17976 1 213 . 1 1 50 50 ASP C C 13 173.8167 0.0000 . 1 . . . . 251 ASP C . 17976 1 214 . 1 1 50 50 ASP CA C 13 52.4814 0.0000 . 1 . 40921 . . 251 ASP CA . 17976 1 215 . 1 1 50 50 ASP N N 15 120.7247 0.0000 . 1 . 44061 . . 251 ASP N . 17976 1 216 . 1 1 51 51 MET H H 1 8.4484 0.0000 . 1 . 42092 . . 252 MET H . 17976 1 217 . 1 1 51 51 MET C C 13 178.0496 0.0000 . 1 . . . . 252 MET C . 17976 1 218 . 1 1 51 51 MET CA C 13 57.2775 0.0000 . 1 . 47095 . . 252 MET CA . 17976 1 219 . 1 1 51 51 MET N N 15 117.2719 0.0000 . 1 . 42093 . . 252 MET N . 17976 1 220 . 1 1 52 52 ASN H H 1 8.0256 0.0000 . 1 . 41123 . . 253 ASN H . 17976 1 221 . 1 1 52 52 ASN CA C 13 56.3933 0.0000 . 1 . 53745 . . 253 ASN CA . 17976 1 222 . 1 1 52 52 ASN CB C 13 37.5655 0.0000 . 1 . 43567 . . 253 ASN CB . 17976 1 223 . 1 1 52 52 ASN N N 15 118.5358 0.0000 . 1 . 41124 . . 253 ASN N . 17976 1 224 . 1 1 53 53 SER H H 1 8.9165 0.0000 . 1 . 53737 . . 254 SER H . 17976 1 225 . 1 1 53 53 SER C C 13 177.7099 0.0000 . 1 . 44650 . . 254 SER C . 17976 1 226 . 1 1 53 53 SER CA C 13 61.4752 0.0000 . 1 . 40648 . . 254 SER CA . 17976 1 227 . 1 1 53 53 SER CB C 13 62.3469 0.0000 . 1 . 53754 . . 254 SER CB . 17976 1 228 . 1 1 53 53 SER N N 15 117.0147 0.0000 . 1 . 53738 . . 254 SER N . 17976 1 229 . 1 1 54 54 LEU H H 1 7.7787 0.0000 . 1 . 43220 . . 255 LEU H . 17976 1 230 . 1 1 54 54 LEU C C 13 177.9945 0.0000 . 1 . . . . 255 LEU C . 17976 1 231 . 1 1 54 54 LEU CA C 13 58.6843 0.0000 . 1 . 40624 . . 255 LEU CA . 17976 1 232 . 1 1 54 54 LEU N N 15 124.8613 0.0000 . 1 . 43221 . . 255 LEU N . 17976 1 233 . 1 1 55 55 MET H H 1 7.8145 0.0000 . 1 . 44702 . . 256 MET H . 17976 1 234 . 1 1 55 55 MET C C 13 179.6140 0.0000 . 1 . . . . 256 MET C . 17976 1 235 . 1 1 55 55 MET CA C 13 58.1097 0.0000 . 1 . 41212 . . 256 MET CA . 17976 1 236 . 1 1 55 55 MET N N 15 117.5919 0.0000 . 1 . 44703 . . 256 MET N . 17976 1 237 . 1 1 56 56 MET H H 1 8.1850 0.0000 . 1 . 44459 . . 257 MET H . 17976 1 238 . 1 1 56 56 MET C C 13 178.7094 0.0000 . 1 . . . . 257 MET C . 17976 1 239 . 1 1 56 56 MET CA C 13 57.7857 0.0000 . 1 . 41632 . . 257 MET CA . 17976 1 240 . 1 1 56 56 MET N N 15 119.1781 0.0000 . 1 . 44460 . . 257 MET N . 17976 1 241 . 1 1 57 57 GLY H H 1 8.5634 0.0000 . 1 . 41630 . . 258 GLY H . 17976 1 242 . 1 1 57 57 GLY CA C 13 46.5802 0.0000 . 1 . 48074 . . 258 GLY CA . 17976 1 243 . 1 1 57 57 GLY N N 15 109.4430 0.0000 . 1 . 41631 . . 258 GLY N . 17976 1 244 . 1 1 60 60 LYS C C 13 179.0930 0.0000 . 1 . 44476 . . 261 LYS C . 17976 1 245 . 1 1 61 61 ILE H H 1 8.2984 0.0000 . 1 . 44474 . . 262 ILE H . 17976 1 246 . 1 1 61 61 ILE C C 13 178.7865 0.0000 . 1 . . . . 262 ILE C . 17976 1 247 . 1 1 61 61 ILE CA C 13 56.8963 0.0000 . 1 . 47178 . . 262 ILE CA . 17976 1 248 . 1 1 61 61 ILE N N 15 118.5675 0.0000 . 1 . 44475 . . 262 ILE N . 17976 1 249 . 1 1 62 62 LYS H H 1 7.8311 0.0000 . 1 . 44630 . . 263 LYS H . 17976 1 250 . 1 1 62 62 LYS CA C 13 62.1243 0.0000 . 1 . 47190 . . 263 LYS CA . 17976 1 251 . 1 1 62 62 LYS N N 15 109.5063 0.0000 . 1 . 44631 . . 263 LYS N . 17976 1 252 . 1 1 74 74 LYS C C 13 176.4805 0.0000 . 1 . 44905 . . 275 LYS C . 17976 1 253 . 1 1 74 74 LYS CA C 13 55.6885 0.0000 . 1 . 46570 . . 275 LYS CA . 17976 1 254 . 1 1 74 74 LYS CB C 13 29.3434 0.0000 . 1 . 44269 . . 275 LYS CB . 17976 1 255 . 1 1 75 75 GLU H H 1 8.3489 0.0000 . 1 . 44903 . . 276 GLU H . 17976 1 256 . 1 1 75 75 GLU C C 13 176.9931 0.0000 . 1 . . . . 276 GLU C . 17976 1 257 . 1 1 75 75 GLU CA C 13 55.7029 0.0000 . 1 . 40894 . . 276 GLU CA . 17976 1 258 . 1 1 75 75 GLU N N 15 121.0437 0.0000 . 1 . 44904 . . 276 GLU N . 17976 1 259 . 1 1 76 76 VAL H H 1 8.5525 0.0000 . 1 . 41642 . . 277 VAL H . 17976 1 260 . 1 1 76 76 VAL C C 13 176.6053 0.0000 . 1 . . . . 277 VAL C . 17976 1 261 . 1 1 76 76 VAL CA C 13 66.5531 0.0000 . 1 . 41968 . . 277 VAL CA . 17976 1 262 . 1 1 76 76 VAL N N 15 126.0649 0.0000 . 1 . 41643 . . 277 VAL N . 17976 1 263 . 1 1 77 77 ALA H H 1 8.6582 0.0000 . 1 . 41051 . . 278 ALA H . 17976 1 264 . 1 1 77 77 ALA C C 13 178.1277 0.0000 . 1 . . . . 278 ALA C . 17976 1 265 . 1 1 77 77 ALA CA C 13 55.2262 0.0000 . 1 . 42280 . . 278 ALA CA . 17976 1 266 . 1 1 77 77 ALA N N 15 119.2346 0.0000 . 1 . 41052 . . 278 ALA N . 17976 1 267 . 1 1 78 78 ILE H H 1 6.2819 0.0000 . 1 . 42278 . . 279 ILE H . 17976 1 268 . 1 1 78 78 ILE C C 13 177.2972 0.0000 . 1 . . . . 279 ILE C . 17976 1 269 . 1 1 78 78 ILE CA C 13 63.1406 0.0000 . 1 . 41416 . . 279 ILE CA . 17976 1 270 . 1 1 78 78 ILE N N 15 113.1881 0.0000 . 1 . 42279 . . 279 ILE N . 17976 1 271 . 1 1 79 79 ARG H H 1 7.8791 0.0000 . 1 . 46575 . . 280 ARG H . 17976 1 272 . 1 1 79 79 ARG C C 13 179.7168 0.0000 . 1 . . . . 280 ARG C . 17976 1 273 . 1 1 79 79 ARG CA C 13 59.6160 0.0000 . 1 . 46586 . . 280 ARG CA . 17976 1 274 . 1 1 79 79 ARG CB C 13 29.2721 0.0000 . 1 . 46589 . . 280 ARG CB . 17976 1 275 . 1 1 79 79 ARG N N 15 120.3857 0.0000 . 1 . 46576 . . 280 ARG N . 17976 1 276 . 1 1 80 80 ILE H H 1 8.0862 0.0000 . 1 . 40940 . . 281 ILE H . 17976 1 277 . 1 1 80 80 ILE CA C 13 64.2480 0.0000 . 1 . 46590 . . 281 ILE CA . 17976 1 278 . 1 1 80 80 ILE N N 15 119.8394 0.0000 . 1 . 40941 . . 281 ILE N . 17976 1 279 . 1 1 94 94 GLU C C 13 178.7563 0.0000 . 1 . 44596 . . 295 GLU C . 17976 1 280 . 1 1 94 94 GLU CA C 13 58.9864 0.0000 . 1 . 40708 . . 295 GLU CA . 17976 1 281 . 1 1 95 95 ILE H H 1 8.6402 0.0000 . 1 . 44594 . . 296 ILE H . 17976 1 282 . 1 1 95 95 ILE C C 13 177.1198 0.0000 . 1 . . . . 296 ILE C . 17976 1 283 . 1 1 95 95 ILE CA C 13 64.7998 0.0000 . 1 . 46703 . . 296 ILE CA . 17976 1 284 . 1 1 95 95 ILE N N 15 117.9078 0.0000 . 1 . 44595 . . 296 ILE N . 17976 1 285 . 1 1 96 96 THR H H 1 8.1827 0.0000 . 1 . 44828 . . 297 THR H . 17976 1 286 . 1 1 96 96 THR C C 13 175.3408 0.0000 . 1 . 45001 . . 297 THR C . 17976 1 287 . 1 1 96 96 THR CA C 13 67.2574 0.0000 . 1 . 47071 . . 297 THR CA . 17976 1 288 . 1 1 96 96 THR N N 15 118.1639 0.0000 . 1 . 44829 . . 297 THR N . 17976 1 289 . 1 1 97 97 GLU H H 1 7.6140 0.0000 . 1 . 41816 . . 298 GLU H . 17976 1 290 . 1 1 97 97 GLU C C 13 179.4989 0.0000 . 1 . . . . 298 GLU C . 17976 1 291 . 1 1 97 97 GLU CA C 13 58.6825 0.0000 . 1 . 46647 . . 298 GLU CA . 17976 1 292 . 1 1 97 97 GLU CB C 13 27.9051 0.0000 . 1 . 46648 . . 298 GLU CB . 17976 1 293 . 1 1 97 97 GLU N N 15 120.8045 0.0000 . 1 . 41817 . . 298 GLU N . 17976 1 294 . 1 1 98 98 TYR H H 1 7.9641 0.0000 . 1 . 42293 . . 299 TYR H . 17976 1 295 . 1 1 98 98 TYR CA C 13 61.1156 0.0000 . 1 . 41605 . . 299 TYR CA . 17976 1 296 . 1 1 98 98 TYR CB C 13 38.0716 0.0000 . 1 . 43330 . . 299 TYR CB . 17976 1 297 . 1 1 98 98 TYR N N 15 121.6095 0.0000 . 1 . 42294 . . 299 TYR N . 17976 1 298 . 1 1 99 99 ALA C C 13 178.1011 0.0000 . 1 . 44761 . . 300 ALA C . 17976 1 299 . 1 1 99 99 ALA CB C 13 16.9314 0.0000 . 1 . 44191 . . 300 ALA CB . 17976 1 300 . 1 1 100 100 LYS H H 1 7.1051 0.0000 . 1 . 41468 . . 301 LYS H . 17976 1 301 . 1 1 100 100 LYS C C 13 178.2332 0.0000 . 1 . . . . 301 LYS C . 17976 1 302 . 1 1 100 100 LYS CA C 13 58.3705 0.0000 . 1 . 41470 . . 301 LYS CA . 17976 1 303 . 1 1 100 100 LYS CB C 13 31.1881 0.0000 . 1 . 46992 . . 301 LYS CB . 17976 1 304 . 1 1 100 100 LYS N N 15 111.4618 0.0000 . 1 . 41469 . . 301 LYS N . 17976 1 305 . 1 1 101 101 SER H H 1 7.8331 0.0000 . 1 . 43739 . . 302 SER H . 17976 1 306 . 1 1 101 101 SER C C 13 175.0268 0.0000 . 1 . . . . 302 SER C . 17976 1 307 . 1 1 101 101 SER CA C 13 58.6034 0.0000 . 1 . 41320 . . 302 SER CA . 17976 1 308 . 1 1 101 101 SER CB C 13 63.8053 0.0000 . 1 . 46989 . . 302 SER CB . 17976 1 309 . 1 1 101 101 SER N N 15 116.4442 0.0000 . 1 . 43740 . . 302 SER N . 17976 1 310 . 1 1 102 102 ILE H H 1 7.6589 0.0000 . 1 . 40580 . . 303 ILE H . 17976 1 311 . 1 1 102 102 ILE CA C 13 60.1028 0.0000 . 1 . 40582 . . 303 ILE CA . 17976 1 312 . 1 1 102 102 ILE CB C 13 37.2722 0.0000 . 1 . 43198 . . 303 ILE CB . 17976 1 313 . 1 1 102 102 ILE N N 15 128.0694 0.0000 . 1 . 40581 . . 303 ILE N . 17976 1 314 . 1 1 103 103 PRO C C 13 176.2236 0.0000 . 1 . 44956 . . 304 PRO C . 17976 1 315 . 1 1 103 103 PRO CA C 13 64.7139 0.0000 . 1 . 41437 . . 304 PRO CA . 17976 1 316 . 1 1 103 103 PRO CB C 13 30.1649 0.0000 . 1 . . . . 304 PRO CB . 17976 1 317 . 1 1 104 104 GLY H H 1 8.6074 0.0000 . 1 . 44954 . . 305 GLY H . 17976 1 318 . 1 1 104 104 GLY C C 13 176.5742 0.0000 . 1 . . . . 305 GLY C . 17976 1 319 . 1 1 104 104 GLY CA C 13 44.9216 0.0000 . 1 . 40639 . . 305 GLY CA . 17976 1 320 . 1 1 104 104 GLY N N 15 112.4588 0.0000 . 1 . 44955 . . 305 GLY N . 17976 1 321 . 1 1 105 105 PHE H H 1 8.2564 0.0000 . 1 . 44888 . . 306 PHE H . 17976 1 322 . 1 1 105 105 PHE C C 13 176.9868 0.0000 . 1 . . . . 306 PHE C . 17976 1 323 . 1 1 105 105 PHE CA C 13 62.6030 0.0000 . 1 . 40603 . . 306 PHE CA . 17976 1 324 . 1 1 105 105 PHE CB C 13 40.1418 0.0000 . 1 . 43249 . . 306 PHE CB . 17976 1 325 . 1 1 105 105 PHE N N 15 124.5162 0.0000 . 1 . 44889 . . 306 PHE N . 17976 1 326 . 1 1 106 106 VAL H H 1 8.2139 0.0000 . 1 . 41507 . . 307 VAL H . 17976 1 327 . 1 1 106 106 VAL C C 13 175.9283 0.0000 . 1 . . . . 307 VAL C . 17976 1 328 . 1 1 106 106 VAL CA C 13 62.9072 0.0000 . 1 . 41284 . . 307 VAL CA . 17976 1 329 . 1 1 106 106 VAL CB C 13 30.2116 0.0000 . 1 . 46965 . . 307 VAL CB . 17976 1 330 . 1 1 106 106 VAL N N 15 107.4691 0.0000 . 1 . 41508 . . 307 VAL N . 17976 1 331 . 1 1 107 107 ASN H H 1 7.0325 0.0000 . 1 . 41282 . . 308 ASN H . 17976 1 332 . 1 1 107 107 ASN C C 13 175.8445 0.0000 . 1 . . . . 308 ASN C . 17976 1 333 . 1 1 107 107 ASN CA C 13 52.5363 0.0000 . 1 . 41383 . . 308 ASN CA . 17976 1 334 . 1 1 107 107 ASN CB C 13 38.4329 0.0000 . 1 . 44275 . . 308 ASN CB . 17976 1 335 . 1 1 107 107 ASN N N 15 116.5694 0.0000 . 1 . 41283 . . 308 ASN N . 17976 1 336 . 1 1 108 108 LEU H H 1 7.1363 0.0000 . 1 . 42275 . . 309 LEU H . 17976 1 337 . 1 1 108 108 LEU C C 13 177.5479 0.0000 . 1 . . . . 309 LEU C . 17976 1 338 . 1 1 108 108 LEU CA C 13 53.7745 0.0000 . 1 . 41758 . . 309 LEU CA . 17976 1 339 . 1 1 108 108 LEU CB C 13 41.1491 0.0000 . 1 . 46959 . . 309 LEU CB . 17976 1 340 . 1 1 108 108 LEU N N 15 121.0126 0.0000 . 1 . 42276 . . 309 LEU N . 17976 1 341 . 1 1 109 109 ASP H H 1 9.0832 0.0000 . 1 . 40655 . . 310 ASP H . 17976 1 342 . 1 1 109 109 ASP C C 13 177.5750 0.0000 . 1 . . . . 310 ASP C . 17976 1 343 . 1 1 109 109 ASP CA C 13 55.1317 0.0000 . 1 . 40657 . . 310 ASP CA . 17976 1 344 . 1 1 109 109 ASP CB C 13 42.5420 0.0000 . 1 . 46956 . . 310 ASP CB . 17976 1 345 . 1 1 109 109 ASP N N 15 124.2616 0.0000 . 1 . 40656 . . 310 ASP N . 17976 1 346 . 1 1 110 110 LEU H H 1 8.5866 0.0000 . 1 . 44639 . . 311 LEU H . 17976 1 347 . 1 1 110 110 LEU C C 13 179.0668 0.0000 . 1 . . . . 311 LEU C . 17976 1 348 . 1 1 110 110 LEU CA C 13 58.3638 0.0000 . 1 . 40558 . . 311 LEU CA . 17976 1 349 . 1 1 110 110 LEU CB C 13 41.3210 0.0000 . 1 . 43189 . . 311 LEU CB . 17976 1 350 . 1 1 110 110 LEU N N 15 128.5441 0.0000 . 1 . 44640 . . 311 LEU N . 17976 1 351 . 1 1 111 111 ASN H H 1 8.6516 0.0000 . 1 . 44507 . . 312 ASN H . 17976 1 352 . 1 1 111 111 ASN C C 13 178.0629 0.0000 . 1 . . . . 312 ASN C . 17976 1 353 . 1 1 111 111 ASN CA C 13 56.1684 0.0000 . 1 . 42319 . . 312 ASN CA . 17976 1 354 . 1 1 111 111 ASN CB C 13 37.4381 0.0000 . 1 . 43792 . . 312 ASN CB . 17976 1 355 . 1 1 111 111 ASN N N 15 115.5901 0.0000 . 1 . 44508 . . 312 ASN N . 17976 1 356 . 1 1 112 112 ASP H H 1 7.5466 0.0000 . 1 . 44666 . . 313 ASP H . 17976 1 357 . 1 1 112 112 ASP C C 13 177.8886 0.0000 . 1 . . . . 313 ASP C . 17976 1 358 . 1 1 112 112 ASP CA C 13 57.0451 0.0000 . 1 . 41635 . . 313 ASP CA . 17976 1 359 . 1 1 112 112 ASP CB C 13 38.6110 0.0000 . 1 . 45226 . . 313 ASP CB . 17976 1 360 . 1 1 112 112 ASP N N 15 121.0243 0.0000 . 1 . 44667 . . 313 ASP N . 17976 1 361 . 1 1 113 113 GLN H H 1 7.9915 0.0000 . 1 . 44672 . . 314 GLN H . 17976 1 362 . 1 1 113 113 GLN C C 13 178.1953 0.0000 . 1 . . . . 314 GLN C . 17976 1 363 . 1 1 113 113 GLN CA C 13 60.0340 0.0000 . 1 . 48113 . . 314 GLN CA . 17976 1 364 . 1 1 113 113 GLN CB C 13 28.0641 0.0000 . 1 . 48114 . . 314 GLN CB . 17976 1 365 . 1 1 113 113 GLN N N 15 119.8726 0.0000 . 1 . 44673 . . 314 GLN N . 17976 1 366 . 1 1 114 114 VAL H H 1 7.4866 0.0000 . 1 . 44705 . . 315 VAL H . 17976 1 367 . 1 1 114 114 VAL C C 13 179.4101 0.0000 . 1 . . . . 315 VAL C . 17976 1 368 . 1 1 114 114 VAL CA C 13 66.1871 0.0000 . 1 . 48093 . . 315 VAL CA . 17976 1 369 . 1 1 114 114 VAL CB C 13 30.6032 0.0000 . 1 . 48094 . . 315 VAL CB . 17976 1 370 . 1 1 114 114 VAL N N 15 117.0566 0.0000 . 1 . 44706 . . 315 VAL N . 17976 1 371 . 1 1 115 115 THR H H 1 8.3695 0.0000 . 1 . 44429 . . 316 THR H . 17976 1 372 . 1 1 115 115 THR CA C 13 66.6263 0.0000 . 1 . 40798 . . 316 THR CA . 17976 1 373 . 1 1 115 115 THR CB C 13 67.8977 0.0000 . 1 . 44149 . . 316 THR CB . 17976 1 374 . 1 1 115 115 THR N N 15 121.0157 0.0000 . 1 . 44430 . . 316 THR N . 17976 1 375 . 1 1 116 116 LEU H H 1 8.8911 0.0000 . 1 . 56221 . . 317 LEU H . 17976 1 376 . 1 1 116 116 LEU C C 13 182.7810 0.0000 . 1 . 47130 . . 317 LEU C . 17976 1 377 . 1 1 116 116 LEU CA C 13 57.7966 0.0000 . 1 . 56230 . . 317 LEU CA . 17976 1 378 . 1 1 116 116 LEU N N 15 120.0976 0.0000 . 1 . 56222 . . 317 LEU N . 17976 1 379 . 1 1 117 117 LEU H H 1 8.1199 0.0000 . 1 . 47128 . . 318 LEU H . 17976 1 380 . 1 1 117 117 LEU C C 13 177.4605 0.0000 . 1 . . . . 318 LEU C . 17976 1 381 . 1 1 117 117 LEU CA C 13 57.8592 0.0000 . 1 . 47133 . . 318 LEU CA . 17976 1 382 . 1 1 117 117 LEU N N 15 121.0351 0.0000 . 1 . 47129 . . 318 LEU N . 17976 1 383 . 1 1 118 118 LYS H H 1 8.6348 0.0000 . 1 . 41846 . . 319 LYS H . 17976 1 384 . 1 1 118 118 LYS CA C 13 59.5266 0.0000 . 1 . 40825 . . 319 LYS CA . 17976 1 385 . 1 1 118 118 LYS N N 15 121.6380 0.0000 . 1 . 41847 . . 319 LYS N . 17976 1 386 . 1 1 127 127 THR C C 13 175.9830 0.0000 . 1 . 44902 . . 328 THR C . 17976 1 387 . 1 1 127 127 THR CA C 13 62.6029 0.0000 . 1 . 41830 . . 328 THR CA . 17976 1 388 . 1 1 128 128 MET H H 1 8.6779 0.0000 . 1 . 40859 . . 329 MET H . 17976 1 389 . 1 1 128 128 MET C C 13 179.3625 0.0000 . 1 . 44398 . . 329 MET C . 17976 1 390 . 1 1 128 128 MET CA C 13 56.7272 0.0000 . 1 . 41746 . . 329 MET CA . 17976 1 391 . 1 1 128 128 MET N N 15 121.4136 0.0000 . 1 . 40860 . . 329 MET N . 17976 1 392 . 1 1 129 129 LEU H H 1 8.7416 0.0000 . 1 . 41744 . . 330 LEU H . 17976 1 393 . 1 1 129 129 LEU C C 13 178.3962 0.0000 . 1 . . . . 330 LEU C . 17976 1 394 . 1 1 129 129 LEU CA C 13 56.5056 0.0000 . 1 . 41629 . . 330 LEU CA . 17976 1 395 . 1 1 129 129 LEU N N 15 123.0443 0.0000 . 1 . 41745 . . 330 LEU N . 17976 1 396 . 1 1 130 130 ALA H H 1 7.1024 0.0000 . 1 . 41627 . . 331 ALA H . 17976 1 397 . 1 1 130 130 ALA C C 13 179.0974 0.0000 . 1 . . . . 331 ALA C . 17976 1 398 . 1 1 130 130 ALA CA C 13 55.2126 0.0000 . 1 . 41155 . . 331 ALA CA . 17976 1 399 . 1 1 130 130 ALA CB C 13 15.9548 0.0000 . 1 . 45357 . . 331 ALA CB . 17976 1 400 . 1 1 130 130 ALA N N 15 118.8217 0.0000 . 1 . 41628 . . 331 ALA N . 17976 1 401 . 1 1 131 131 SER H H 1 7.0384 0.0000 . 1 . 43976 . . 332 SER H . 17976 1 402 . 1 1 131 131 SER C C 13 173.5670 0.0000 . 1 . . . . 332 SER C . 17976 1 403 . 1 1 131 131 SER CA C 13 60.5738 0.0000 . 1 . 41443 . . 332 SER CA . 17976 1 404 . 1 1 131 131 SER CB C 13 63.0240 0.0000 . 1 . 46929 . . 332 SER CB . 17976 1 405 . 1 1 131 131 SER N N 15 111.9916 0.0000 . 1 . 43977 . . 332 SER N . 17976 1 406 . 1 1 132 132 LEU H H 1 7.5207 0.0000 . 1 . 45146 . . 333 LEU H . 17976 1 407 . 1 1 132 132 LEU C C 13 174.5470 0.0000 . 1 . . . . 333 LEU C . 17976 1 408 . 1 1 132 132 LEU CA C 13 53.1429 0.0000 . 1 . 41377 . . 333 LEU CA . 17976 1 409 . 1 1 132 132 LEU CB C 13 40.7426 0.0000 . 1 . 43657 . . 333 LEU CB . 17976 1 410 . 1 1 132 132 LEU N N 15 117.0367 0.0000 . 1 . 45147 . . 333 LEU N . 17976 1 411 . 1 1 133 133 MET H H 1 7.2979 0.0000 . 1 . 45107 . . 334 MET H . 17976 1 412 . 1 1 133 133 MET C C 13 176.6711 0.0000 . 1 . . . . 334 MET C . 17976 1 413 . 1 1 133 133 MET CA C 13 54.7220 0.0000 . 1 . 42091 . . 334 MET CA . 17976 1 414 . 1 1 133 133 MET CB C 13 36.8522 0.0000 . 1 . 46923 . . 334 MET CB . 17976 1 415 . 1 1 133 133 MET N N 15 116.2456 0.0000 . 1 . 45108 . . 334 MET N . 17976 1 416 . 1 1 134 134 ASN H H 1 8.8024 0.0000 . 1 . 44822 . . 335 ASN H . 17976 1 417 . 1 1 134 134 ASN C C 13 175.3299 0.0000 . 1 . . . . 335 ASN C . 17976 1 418 . 1 1 134 134 ASN CA C 13 51.3475 0.0000 . 1 . 41257 . . 335 ASN CA . 17976 1 419 . 1 1 134 134 ASN CB C 13 39.6499 0.0000 . 1 . 43651 . . 335 ASN CB . 17976 1 420 . 1 1 134 134 ASN N N 15 117.8235 0.0000 . 1 . 44823 . . 335 ASN N . 17976 1 421 . 1 1 135 135 LYS H H 1 8.2995 0.0000 . 1 . 41450 . . 336 LYS H . 17976 1 422 . 1 1 135 135 LYS C C 13 175.9482 0.0000 . 1 . . . . 336 LYS C . 17976 1 423 . 1 1 135 135 LYS CA C 13 58.1575 0.0000 . 1 . 41452 . . 336 LYS CA . 17976 1 424 . 1 1 135 135 LYS N N 15 112.8751 0.0000 . 1 . 41451 . . 336 LYS N . 17976 1 425 . 1 1 136 136 ASP H H 1 8.3728 0.0000 . 1 . 44276 . . 337 ASP H . 17976 1 426 . 1 1 136 136 ASP C C 13 177.9833 0.0000 . 1 . . . . 337 ASP C . 17976 1 427 . 1 1 136 136 ASP CA C 13 54.5573 0.0000 . 1 . 41356 . . 337 ASP CA . 17976 1 428 . 1 1 136 136 ASP CB C 13 42.6995 0.0000 . 1 . 43696 . . 337 ASP CB . 17976 1 429 . 1 1 136 136 ASP N N 15 116.1958 0.0000 . 1 . 44277 . . 337 ASP N . 17976 1 430 . 1 1 137 137 GLY H H 1 8.0763 0.0000 . 1 . 42221 . . 338 GLY H . 17976 1 431 . 1 1 137 137 GLY C C 13 168.233 0.0000 . 1 . . . . 338 GLY C . 17976 1 432 . 1 1 137 137 GLY CA C 13 47.8366 0.0000 . 1 . 41263 . . 338 GLY CA . 17976 1 433 . 1 1 137 137 GLY N N 15 111.6597 0.0000 . 1 . 42222 . . 338 GLY N . 17976 1 434 . 1 1 138 138 VAL H H 1 8.1203 0.0000 . 1 . 41261 . . 339 VAL H . 17976 1 435 . 1 1 138 138 VAL C C 13 172.0998 0.0000 . 1 . . . . 339 VAL C . 17976 1 436 . 1 1 138 138 VAL CA C 13 56.7433 0.0000 . 1 . 41230 . . 339 VAL CA . 17976 1 437 . 1 1 138 138 VAL CB C 13 35.8756 0.0000 . 1 . 46911 . . 339 VAL CB . 17976 1 438 . 1 1 138 138 VAL N N 15 116.9442 0.0000 . 1 . 41262 . . 339 VAL N . 17976 1 439 . 1 1 139 139 LEU H H 1 8.4221 0.0000 . 1 . 43193 . . 340 LEU H . 17976 1 440 . 1 1 139 139 LEU C C 13 175.6616 0.0000 . 1 . . . . 340 LEU C . 17976 1 441 . 1 1 139 139 LEU CA C 13 54.7893 0.0000 . 1 . 46612 . . 340 LEU CA . 17976 1 442 . 1 1 139 139 LEU CB C 13 43.3489 0.0000 . 1 . 47127 . . 340 LEU CB . 17976 1 443 . 1 1 139 139 LEU N N 15 128.4501 0.0000 . 1 . 43194 . . 340 LEU N . 17976 1 444 . 1 1 140 140 ILE H H 1 8.1236 0.0000 . 1 . 41429 . . 341 ILE H . 17976 1 445 . 1 1 140 140 ILE CA C 13 58.7667 0.0000 . 1 . 41425 . . 341 ILE CA . 17976 1 446 . 1 1 140 140 ILE CB C 13 40.2104 0.0000 . 1 . 43819 . . 341 ILE CB . 17976 1 447 . 1 1 140 140 ILE N N 15 113.8091 0.0000 . 1 . 41430 . . 341 ILE N . 17976 1 448 . 1 1 141 141 SER C C 13 176.6312 0.0000 . 1 . 44944 . . 342 SER C . 17976 1 449 . 1 1 141 141 SER CA C 13 58.0609 0.0000 . 1 . 41308 . . 342 SER CA . 17976 1 450 . 1 1 141 141 SER CB C 13 66.1490 0.0000 . 1 . 47043 . . 342 SER CB . 17976 1 451 . 1 1 142 142 GLU H H 1 9.5792 0.0000 . 1 . 41306 . . 343 GLU H . 17976 1 452 . 1 1 142 142 GLU C C 13 176.3030 0.0000 . 1 . . . . 343 GLU C . 17976 1 453 . 1 1 142 142 GLU CA C 13 56.2426 0.0000 . 1 . 42256 . . 343 GLU CA . 17976 1 454 . 1 1 142 142 GLU CB C 13 26.3217 0.0000 . 1 . 43747 . . 343 GLU CB . 17976 1 455 . 1 1 142 142 GLU N N 15 116.1688 0.0000 . 1 . 41307 . . 343 GLU N . 17976 1 456 . 1 1 143 143 GLY H H 1 7.9165 0.0000 . 1 . 44972 . . 344 GLY H . 17976 1 457 . 1 1 143 143 GLY C C 13 173.4998 0.0000 . 1 . . . . 344 GLY C . 17976 1 458 . 1 1 143 143 GLY CA C 13 44.8278 0.0000 . 1 . 45210 . . 344 GLY CA . 17976 1 459 . 1 1 143 143 GLY N N 15 105.6038 0.0000 . 1 . 44973 . . 344 GLY N . 17976 1 460 . 1 1 144 144 GLN H H 1 7.8887 0.0000 . 1 . 43733 . . 345 GLN H . 17976 1 461 . 1 1 144 144 GLN C C 13 177.1197 0.0000 . 1 . . . . 345 GLN C . 17976 1 462 . 1 1 144 144 GLN CA C 13 56.9563 0.0000 . 1 . 41326 . . 345 GLN CA . 17976 1 463 . 1 1 144 144 GLN CB C 13 29.9738 0.0000 . 1 . 43735 . . 345 GLN CB . 17976 1 464 . 1 1 144 144 GLN N N 15 116.7846 0.0000 . 1 . 43734 . . 345 GLN N . 17976 1 465 . 1 1 145 145 GLY H H 1 8.1236 0.0000 . 1 . 44879 . . 346 GLY H . 17976 1 466 . 1 1 145 145 GLY C C 13 171.1869 0.0000 . 1 . . . . 346 GLY C . 17976 1 467 . 1 1 145 145 GLY CA C 13 43.3502 0.0000 . 1 . 41533 . . 346 GLY CA . 17976 1 468 . 1 1 145 145 GLY N N 15 104.8018 0.0000 . 1 . 44880 . . 346 GLY N . 17976 1 469 . 1 1 146 146 PHE H H 1 8.8426 0.0000 . 1 . 45182 . . 347 PHE H . 17976 1 470 . 1 1 146 146 PHE C C 13 172.9111 0.0000 . 1 . . . . 347 PHE C . 17976 1 471 . 1 1 146 146 PHE CA C 13 56.2982 0.0000 . 1 . 40561 . . 347 PHE CA . 17976 1 472 . 1 1 146 146 PHE CB C 13 41.5407 0.0000 . 1 . 44335 . . 347 PHE CB . 17976 1 473 . 1 1 146 146 PHE N N 15 122.7420 0.0000 . 1 . 45183 . . 347 PHE N . 17976 1 474 . 1 1 147 147 MET H H 1 8.9621 0.0000 . 1 . 41687 . . 348 MET H . 17976 1 475 . 1 1 147 147 MET C C 13 175.5688 0.0000 . 1 . . . . 348 MET C . 17976 1 476 . 1 1 147 147 MET CA C 13 53.5847 0.0000 . 1 . 40576 . . 348 MET CA . 17976 1 477 . 1 1 147 147 MET CB C 13 35.2897 0.0000 . 1 . 46836 . . 348 MET CB . 17976 1 478 . 1 1 147 147 MET N N 15 128.8118 0.0000 . 1 . 41688 . . 348 MET N . 17976 1 479 . 1 1 148 148 THR H H 1 8.5532 0.0000 . 1 . 44048 . . 349 THR H . 17976 1 480 . 1 1 148 148 THR C C 13 174.3990 0.0000 . 1 . . . . 349 THR C . 17976 1 481 . 1 1 148 148 THR CA C 13 61.6004 0.0000 . 1 . 40591 . . 349 THR CA . 17976 1 482 . 1 1 148 148 THR CB C 13 69.2740 0.0000 . 1 . 46833 . . 349 THR CB . 17976 1 483 . 1 1 148 148 THR N N 15 116.2458 0.0000 . 1 . 44049 . . 349 THR N . 17976 1 484 . 1 1 149 149 ARG H H 1 8.5437 0.0000 . 1 . 40589 . . 350 ARG H . 17976 1 485 . 1 1 149 149 ARG C C 13 179.2093 0.0000 . 1 . . . . 350 ARG C . 17976 1 486 . 1 1 149 149 ARG CA C 13 58.3454 0.0000 . 1 . 40597 . . 350 ARG CA . 17976 1 487 . 1 1 149 149 ARG CB C 13 30.2116 0.0000 . 1 . 46830 . . 350 ARG CB . 17976 1 488 . 1 1 149 149 ARG N N 15 126.2060 0.0000 . 1 . 40590 . . 350 ARG N . 17976 1 489 . 1 1 150 150 GLU H H 1 8.4943 0.0000 . 1 . 44471 . . 351 GLU H . 17976 1 490 . 1 1 150 150 GLU C C 13 178.4766 0.0000 . 1 . . . . 351 GLU C . 17976 1 491 . 1 1 150 150 GLU CA C 13 58.7198 0.0000 . 1 . 41095 . . 351 GLU CA . 17976 1 492 . 1 1 150 150 GLU CB C 13 28.4538 0.0000 . 1 . 46827 . . 351 GLU CB . 17976 1 493 . 1 1 150 150 GLU N N 15 118.2924 0.0000 . 1 . 44472 . . 351 GLU N . 17976 1 494 . 1 1 151 151 PHE H H 1 8.0042 0.0000 . 1 . 40694 . . 352 PHE H . 17976 1 495 . 1 1 151 151 PHE C C 13 179.2947 0.0000 . 1 . . . . 352 PHE C . 17976 1 496 . 1 1 151 151 PHE CA C 13 60.5159 0.0000 . 1 . 40696 . . 352 PHE CA . 17976 1 497 . 1 1 151 151 PHE CB C 13 37.9624 0.0000 . 1 . 43324 . . 352 PHE CB . 17976 1 498 . 1 1 151 151 PHE N N 15 122.1104 0.0000 . 1 . 40695 . . 352 PHE N . 17976 1 499 . 1 1 152 152 LEU H H 1 7.6615 0.0000 . 1 . 41840 . . 353 LEU H . 17976 1 500 . 1 1 152 152 LEU C C 13 177.4797 0.0000 . 1 . . . . 353 LEU C . 17976 1 501 . 1 1 152 152 LEU CA C 13 58.3658 0.0000 . 1 . 41323 . . 353 LEU CA . 17976 1 502 . 1 1 152 152 LEU CB C 13 40.6800 0.0000 . 1 . 46821 . . 353 LEU CB . 17976 1 503 . 1 1 152 152 LEU N N 15 121.3955 0.0000 . 1 . 41841 . . 353 LEU N . 17976 1 504 . 1 1 153 153 LYS H H 1 7.6334 0.0000 . 1 . 44012 . . 354 LYS H . 17976 1 505 . 1 1 153 153 LYS C C 13 177.1324 0.0000 . 1 . . . . 354 LYS C . 17976 1 506 . 1 1 153 153 LYS CA C 13 56.9825 0.0000 . 1 . 42346 . . 354 LYS CA . 17976 1 507 . 1 1 153 153 LYS CB C 13 31.9123 0.0000 . 1 . 44014 . . 354 LYS CB . 17976 1 508 . 1 1 153 153 LYS N N 15 116.2836 0.0000 . 1 . 44013 . . 354 LYS N . 17976 1 509 . 1 1 154 154 SER H H 1 7.4595 0.0000 . 1 . 45188 . . 355 SER H . 17976 1 510 . 1 1 154 154 SER C C 13 174.4250 0.0000 . 1 . . . . 355 SER C . 17976 1 511 . 1 1 154 154 SER CA C 13 58.7677 0.0000 . 1 . 41674 . . 355 SER CA . 17976 1 512 . 1 1 154 154 SER CB C 13 63.3854 0.0000 . 1 . 43801 . . 355 SER CB . 17976 1 513 . 1 1 154 154 SER N N 15 114.2330 0.0000 . 1 . 45189 . . 355 SER N . 17976 1 514 . 1 1 155 155 LEU H H 1 6.7864 0.0000 . 1 . 40718 . . 356 LEU H . 17976 1 515 . 1 1 155 155 LEU C C 13 176.6064 0.0000 . 1 . . . . 356 LEU C . 17976 1 516 . 1 1 155 155 LEU CA C 13 54.1014 0.0000 . 1 . 41956 . . 356 LEU CA . 17976 1 517 . 1 1 155 155 LEU CB C 13 40.8852 0.0000 . 1 . 46812 . . 356 LEU CB . 17976 1 518 . 1 1 155 155 LEU N N 15 122.6937 0.0000 . 1 . 40719 . . 356 LEU N . 17976 1 519 . 1 1 156 156 ARG H H 1 8.5585 0.0000 . 1 . 41009 . . 357 ARG H . 17976 1 520 . 1 1 156 156 ARG C C 13 176.5681 0.0000 . 1 . . . . 357 ARG C . 17976 1 521 . 1 1 156 156 ARG CA C 13 55.1742 0.0000 . 1 . 41011 . . 357 ARG CA . 17976 1 522 . 1 1 156 156 ARG CB C 13 28.8444 0.0000 . 1 . 46809 . . 357 ARG CB . 17976 1 523 . 1 1 156 156 ARG N N 15 119.8284 0.0000 . 1 . 41010 . . 357 ARG N . 17976 1 524 . 1 1 157 157 LYS H H 1 8.6143 0.0000 . 1 . 44264 . . 358 LYS H . 17976 1 525 . 1 1 157 157 LYS CA C 13 55.1361 0.0000 . 1 . 45506 . . 358 LYS CA . 17976 1 526 . 1 1 157 157 LYS CB C 13 30.2540 0.0000 . 1 . 44266 . . 358 LYS CB . 17976 1 527 . 1 1 157 157 LYS N N 15 123.7966 0.0000 . 1 . 44265 . . 358 LYS N . 17976 1 528 . 1 1 158 158 PRO C C 13 175.7846 0.0000 . 1 . 44986 . . 359 PRO C . 17976 1 529 . 1 1 158 158 PRO CA C 13 63.3700 0.0000 . 1 . 45666 . . 359 PRO CA . 17976 1 530 . 1 1 159 159 PHE H H 1 8.1199 0.0000 . 1 . 44984 . . 360 PHE H . 17976 1 531 . 1 1 159 159 PHE C C 13 178.0388 0.0000 . 1 . . . . 360 PHE C . 17976 1 532 . 1 1 159 159 PHE CA C 13 61.5318 0.0000 . 1 . 46702 . . 360 PHE CA . 17976 1 533 . 1 1 159 159 PHE N N 15 124.2386 0.0000 . 1 . 44985 . . 360 PHE N . 17976 1 534 . 1 1 160 160 GLY H H 1 7.3907 0.0000 . 1 . 44768 . . 361 GLY H . 17976 1 535 . 1 1 160 160 GLY C C 13 174.6771 0.0000 . 1 . . . . 361 GLY C . 17976 1 536 . 1 1 160 160 GLY CA C 13 46.5791 0.0000 . 1 . 41503 . . 361 GLY CA . 17976 1 537 . 1 1 160 160 GLY N N 15 108.1505 0.0000 . 1 . 44769 . . 361 GLY N . 17976 1 538 . 1 1 161 161 ASP H H 1 7.3948 0.0000 . 1 . 45104 . . 362 ASP H . 17976 1 539 . 1 1 161 161 ASP C C 13 178.8769 0.0000 . 1 . . . . 362 ASP C . 17976 1 540 . 1 1 161 161 ASP CA C 13 53.7317 0.0000 . 1 . 46569 . . 362 ASP CA . 17976 1 541 . 1 1 161 161 ASP N N 15 118.8306 0.0000 . 1 . 45105 . . 362 ASP N . 17976 1 542 . 1 1 162 162 PHE H H 1 7.9294 0.0000 . 1 . 41726 . . 363 PHE H . 17976 1 543 . 1 1 162 162 PHE CA C 13 60.0495 0.0000 . 1 . 46564 . . 363 PHE CA . 17976 1 544 . 1 1 162 162 PHE CB C 13 39.3923 0.0000 . 1 . 46635 . . 363 PHE CB . 17976 1 545 . 1 1 162 162 PHE N N 15 124.6208 0.0000 . 1 . 41727 . . 363 PHE N . 17976 1 546 . 1 1 166 166 LYS C C 13 177.3604 0.0000 . 1 . 44794 . . 367 LYS C . 17976 1 547 . 1 1 166 166 LYS CB C 13 31.3845 0.0000 . 1 . 44023 . . 367 LYS CB . 17976 1 548 . 1 1 167 167 PHE H H 1 7.7749 0.0000 . 1 . 44792 . . 368 PHE H . 17976 1 549 . 1 1 167 167 PHE C C 13 178.4591 0.0000 . 1 . . . . 368 PHE C . 17976 1 550 . 1 1 167 167 PHE CA C 13 61.9782 0.0000 . 1 . 40807 . . 368 PHE CA . 17976 1 551 . 1 1 167 167 PHE N N 15 121.6291 0.0000 . 1 . 44793 . . 368 PHE N . 17976 1 552 . 1 1 168 168 GLU H H 1 8.3078 0.0000 . 1 . 43676 . . 369 GLU H . 17976 1 553 . 1 1 168 168 GLU C C 13 179.8131 0.0000 . 1 . . . . 369 GLU C . 17976 1 554 . 1 1 168 168 GLU CA C 13 58.9681 0.0000 . 1 . 41200 . . 369 GLU CA . 17976 1 555 . 1 1 168 168 GLU N N 15 117.7003 0.0000 . 1 . 43677 . . 369 GLU N . 17976 1 556 . 1 1 169 169 PHE H H 1 7.5577 0.0000 . 1 . 44477 . . 370 PHE H . 17976 1 557 . 1 1 169 169 PHE C C 13 176.8130 0.0000 . 1 . . . . 370 PHE C . 17976 1 558 . 1 1 169 169 PHE CA C 13 60.7599 0.0000 . 1 . 41737 . . 370 PHE CA . 17976 1 559 . 1 1 169 169 PHE N N 15 118.5904 0.0000 . 1 . 44478 . . 370 PHE N . 17976 1 560 . 1 1 170 170 ALA H H 1 8.5070 0.0000 . 1 . 40688 . . 371 ALA H . 17976 1 561 . 1 1 170 170 ALA C C 13 179.1549 0.0000 . 1 . . . . 371 ALA C . 17976 1 562 . 1 1 170 170 ALA CA C 13 55.6066 0.0000 . 1 . 45631 . . 371 ALA CA . 17976 1 563 . 1 1 170 170 ALA N N 15 122.9748 0.0000 . 1 . 40689 . . 371 ALA N . 17976 1 564 . 1 1 171 171 VAL H H 1 8.3505 0.0000 . 1 . 43730 . . 372 VAL H . 17976 1 565 . 1 1 171 171 VAL C C 13 179.5773 0.0000 . 1 . . . . 372 VAL C . 17976 1 566 . 1 1 171 171 VAL CA C 13 66.0580 0.0000 . 1 . 41056 . . 372 VAL CA . 17976 1 567 . 1 1 171 171 VAL CB C 13 30.7975 0.0000 . 1 . 46803 . . 372 VAL CB . 17976 1 568 . 1 1 171 171 VAL N N 15 115.9504 0.0000 . 1 . . . . 372 VAL N . 17976 1 569 . 1 1 172 172 LYS H H 1 6.6787 0.0000 . 1 . 44489 . . 373 LYS H . 17976 1 570 . 1 1 172 172 LYS C C 13 178.6437 0.0000 . 1 . . . . 373 LYS C . 17976 1 571 . 1 1 172 172 LYS CA C 13 58.1780 0.0000 . 1 . 41743 . . 373 LYS CA . 17976 1 572 . 1 1 172 172 LYS CB C 13 31.6441 0.0000 . 1 . 45236 . . 373 LYS CB . 17976 1 573 . 1 1 172 172 LYS N N 15 118.4705 0.0000 . 1 . 44490 . . 373 LYS N . 17976 1 574 . 1 1 173 173 PHE H H 1 8.7936 0.0000 . 1 . 41741 . . 374 PHE H . 17976 1 575 . 1 1 173 173 PHE C C 13 179.2919 0.0000 . 1 . . . . 374 PHE C . 17976 1 576 . 1 1 173 173 PHE CA C 13 61.5514 0.0000 . 1 . 46625 . . 374 PHE CA . 17976 1 577 . 1 1 173 173 PHE CB C 13 39.5876 0.0000 . 1 . 44185 . . 374 PHE CB . 17976 1 578 . 1 1 173 173 PHE N N 15 123.3109 0.0000 . 1 . 41742 . . 374 PHE N . 17976 1 579 . 1 1 174 174 ASN H H 1 9.4667 0.0000 . 1 . 41912 . . 375 ASN H . 17976 1 580 . 1 1 174 174 ASN C C 13 178.9053 0.0000 . 1 . . . . 375 ASN C . 17976 1 581 . 1 1 174 174 ASN CA C 13 54.2008 0.0000 . 1 . 41761 . . 375 ASN CA . 17976 1 582 . 1 1 174 174 ASN CB C 13 36.4616 0.0000 . 1 . 46797 . . 375 ASN CB . 17976 1 583 . 1 1 174 174 ASN N N 15 119.6453 0.0000 . 1 . 41913 . . 375 ASN N . 17976 1 584 . 1 1 175 175 ALA H H 1 6.9140 0.0000 . 1 . 40766 . . 376 ALA H . 17976 1 585 . 1 1 175 175 ALA C C 13 178.1052 0.0000 . 1 . . . . 376 ALA C . 17976 1 586 . 1 1 175 175 ALA CA C 13 53.2984 0.0000 . 1 . 40777 . . 376 ALA CA . 17976 1 587 . 1 1 175 175 ALA CB C 13 16.7636 0.0000 . 1 . 43768 . . 376 ALA CB . 17976 1 588 . 1 1 175 175 ALA N N 15 122.9727 0.0000 . 1 . 40767 . . 376 ALA N . 17976 1 589 . 1 1 176 176 LEU H H 1 7.1924 0.0000 . 1 . 41372 . . 377 LEU H . 17976 1 590 . 1 1 176 176 LEU C C 13 175.8715 0.0000 . 1 . . . . 377 LEU C . 17976 1 591 . 1 1 176 176 LEU CA C 13 55.3588 0.0000 . 1 . 42241 . . 377 LEU CA . 17976 1 592 . 1 1 176 176 LEU CB C 13 39.3913 0.0000 . 1 . 46791 . . 377 LEU CB . 17976 1 593 . 1 1 176 176 LEU N N 15 116.2651 0.0000 . 1 . 41373 . . 377 LEU N . 17976 1 594 . 1 1 177 177 GLU H H 1 7.2370 0.0000 . 1 . 41486 . . 378 GLU H . 17976 1 595 . 1 1 177 177 GLU C C 13 175.4626 0.0000 . 1 . . . . 378 GLU C . 17976 1 596 . 1 1 177 177 GLU CA C 13 56.1331 0.0000 . 1 . 41347 . . 378 GLU CA . 17976 1 597 . 1 1 177 177 GLU CB C 13 25.6343 0.0000 . 1 . 46788 . . 378 GLU CB . 17976 1 598 . 1 1 177 177 GLU N N 15 110.1633 0.0000 . 1 . 41487 . . 378 GLU N . 17976 1 599 . 1 1 178 178 LEU H H 1 8.0294 0.0000 . 1 . 43709 . . 379 LEU H . 17976 1 600 . 1 1 178 178 LEU C C 13 178.3500 0.0000 . 1 . . . . 379 LEU C . 17976 1 601 . 1 1 178 178 LEU CA C 13 54.6613 0.0000 . 1 . 41359 . . 379 LEU CA . 17976 1 602 . 1 1 178 178 LEU CB C 13 40.6518 0.0000 . 1 . 43711 . . 379 LEU CB . 17976 1 603 . 1 1 178 178 LEU N N 15 116.6024 0.0000 . 1 . 43710 . . 379 LEU N . 17976 1 604 . 1 1 179 179 ASP H H 1 9.5684 0.0000 . 1 . 40760 . . 380 ASP H . 17976 1 605 . 1 1 179 179 ASP C C 13 176.8423 0.0000 . 1 . . . . 380 ASP C . 17976 1 606 . 1 1 179 179 ASP CA C 13 51.1524 0.0000 . 1 . 42097 . . 380 ASP CA . 17976 1 607 . 1 1 179 179 ASP CB C 13 42.2878 0.0000 . 1 . 46779 . . 380 ASP CB . 17976 1 608 . 1 1 179 179 ASP N N 15 122.6204 0.0000 . 1 . 40761 . . 380 ASP N . 17976 1 609 . 1 1 180 180 ASP H H 1 8.8305 0.0000 . 1 . 42095 . . 381 ASP H . 17976 1 610 . 1 1 180 180 ASP C C 13 176.2594 0.0000 . 1 . . . . 381 ASP C . 17976 1 611 . 1 1 180 180 ASP CA C 13 58.5994 0.0000 . 1 . 41206 . . 381 ASP CA . 17976 1 612 . 1 1 180 180 ASP CB C 13 43.6115 0.0000 . 1 . 46773 . . 381 ASP CB . 17976 1 613 . 1 1 180 180 ASP N N 15 117.2800 0.0000 . 1 . 42096 . . 381 ASP N . 17976 1 614 . 1 1 181 181 SER H H 1 8.0824 0.0000 . 1 . 41291 . . 382 SER H . 17976 1 615 . 1 1 181 181 SER C C 13 176.5594 0.0000 . 1 . . . . 382 SER C . 17976 1 616 . 1 1 181 181 SER CA C 13 61.2852 0.0000 . 1 . 41293 . . 382 SER CA . 17976 1 617 . 1 1 181 181 SER N N 15 115.8623 0.0000 . 1 . 41292 . . 382 SER N . 17976 1 618 . 1 1 182 182 ASP H H 1 7.5012 0.0000 . 1 . 44129 . . 383 ASP H . 17976 1 619 . 1 1 182 182 ASP CA C 13 56.6594 0.0000 . 1 . 40744 . . 383 ASP CA . 17976 1 620 . 1 1 182 182 ASP N N 15 122.9431 0.0000 . 1 . 44130 . . 383 ASP N . 17976 1 621 . 1 1 191 191 ILE C C 13 177.6260 0.0000 . 1 . . . . 392 ILE C . 17976 1 622 . 1 1 192 192 LEU H H 1 7.4783 0.0000 . 1 . . . . 393 LEU H . 17976 1 623 . 1 1 192 192 LEU C C 13 173.2602 0.0000 . 1 . 45175 . . 393 LEU C . 17976 1 624 . 1 1 192 192 LEU CA C 13 51.1562 0.0000 . 1 . 45640 . . 393 LEU CA . 17976 1 625 . 1 1 192 192 LEU N N 15 126.1230 0.0000 . 1 . . . . 393 LEU N . 17976 1 626 . 1 1 193 193 SER H H 1 6.8666 0.0000 . 1 . 41426 . . 394 SER H . 17976 1 627 . 1 1 193 193 SER C C 13 174.2087 0.0000 . 1 . . . . 394 SER C . 17976 1 628 . 1 1 193 193 SER CA C 13 57.9321 0.0000 . 1 . 41449 . . 394 SER CA . 17976 1 629 . 1 1 193 193 SER CB C 13 64.1969 0.0000 . 1 . 47197 . . 394 SER CB . 17976 1 630 . 1 1 193 193 SER N N 15 114.0835 0.0000 . 1 . 41427 . . 394 SER N . 17976 1 631 . 1 1 194 194 GLY H H 1 8.6132 0.0000 . 1 . 45152 . . 395 GLY H . 17976 1 632 . 1 1 194 194 GLY C C 13 172.6308 0.0000 . 1 . . . . 395 GLY C . 17976 1 633 . 1 1 194 194 GLY CA C 13 45.4301 0.0000 . 1 . 41464 . . 395 GLY CA . 17976 1 634 . 1 1 194 194 GLY N N 15 111.9726 0.0000 . 1 . 45153 . . 395 GLY N . 17976 1 635 . 1 1 195 195 ASP H H 1 8.1125 0.0000 . 1 . 44342 . . 396 ASP H . 17976 1 636 . 1 1 195 195 ASP C C 13 176.9098 0.0000 . 1 . . . . 396 ASP C . 17976 1 637 . 1 1 195 195 ASP CA C 13 51.8884 0.0000 . 1 . 41380 . . 396 ASP CA . 17976 1 638 . 1 1 195 195 ASP CB C 13 38.9150 0.0000 . 1 . 43708 . . 396 ASP CB . 17976 1 639 . 1 1 195 195 ASP N N 15 116.7390 0.0000 . 1 . 44343 . . 396 ASP N . 17976 1 640 . 1 1 196 196 ARG H H 1 6.6270 0.0000 . 1 . 43721 . . 397 ARG H . 17976 1 641 . 1 1 196 196 ARG CA C 13 52.0722 0.0000 . 1 . 41386 . . 397 ARG CA . 17976 1 642 . 1 1 196 196 ARG CB C 13 26.7570 0.0000 . 1 . 43756 . . 397 ARG CB . 17976 1 643 . 1 1 196 196 ARG N N 15 116.5934 0.0000 . 1 . 43722 . . 397 ARG N . 17976 1 644 . 1 1 197 197 PRO C C 13 177.4748 0.0000 . 1 . 44773 . . 398 PRO C . 17976 1 645 . 1 1 197 197 PRO CA C 13 62.7396 0.0000 . 1 . 41512 . . 398 PRO CA . 17976 1 646 . 1 1 197 197 PRO CB C 13 30.6022 0.0000 . 1 . . . . 398 PRO CB . 17976 1 647 . 1 1 198 198 GLY H H 1 8.4413 0.0000 . 1 . 41510 . . 399 GLY H . 17976 1 648 . 1 1 198 198 GLY C C 13 176.0447 0.0000 . 1 . . . . 399 GLY C . 17976 1 649 . 1 1 198 198 GLY CA C 13 45.0996 0.0000 . 1 . 41965 . . 399 GLY CA . 17976 1 650 . 1 1 198 198 GLY N N 15 107.8166 0.0000 . 1 . 41511 . . 399 GLY N . 17976 1 651 . 1 1 199 199 LEU H H 1 6.7836 0.0000 . 1 . 43457 . . 400 LEU H . 17976 1 652 . 1 1 199 199 LEU C C 13 177.1886 0.0000 . 1 . . . . 400 LEU C . 17976 1 653 . 1 1 199 199 LEU CA C 13 54.3018 0.0000 . 1 . 41701 . . 400 LEU CA . 17976 1 654 . 1 1 199 199 LEU CB C 13 42.1256 0.0000 . 1 . 46755 . . 400 LEU CB . 17976 1 655 . 1 1 199 199 LEU N N 15 120.1474 0.0000 . 1 . 43458 . . 400 LEU N . 17976 1 656 . 1 1 200 200 LEU H H 1 11.5423 0.0000 . 1 . 41699 . . 401 LEU H . 17976 1 657 . 1 1 200 200 LEU C C 13 178.8287 0.0000 . 1 . . . . 401 LEU C . 17976 1 658 . 1 1 200 200 LEU CA C 13 56.3877 0.0000 . 1 . 40585 . . 401 LEU CA . 17976 1 659 . 1 1 200 200 LEU N N 15 128.0106 0.0000 . 1 . 41700 . . 401 LEU N . 17976 1 660 . 1 1 201 201 ASN H H 1 8.9733 0.0000 . 1 . 44558 . . 402 ASN H . 17976 1 661 . 1 1 201 201 ASN C C 13 174.6457 0.0000 . 1 . . . . 402 ASN C . 17976 1 662 . 1 1 201 201 ASN CA C 13 50.7026 0.0000 . 1 . 41806 . . 402 ASN CA . 17976 1 663 . 1 1 201 201 ASN CB C 13 37.7488 0.0000 . 1 . 43291 . . 402 ASN CB . 17976 1 664 . 1 1 201 201 ASN N N 15 120.1181 0.0000 . 1 . 44559 . . 402 ASN N . 17976 1 665 . 1 1 202 202 VAL H H 1 8.3282 0.0000 . 1 . 40781 . . 403 VAL H . 17976 1 666 . 1 1 202 202 VAL C C 13 177.5712 0.0000 . 1 . . . . 403 VAL C . 17976 1 667 . 1 1 202 202 VAL CA C 13 65.9066 0.0000 . 1 . 40678 . . 403 VAL CA . 17976 1 668 . 1 1 202 202 VAL CB C 13 31.7877 0.0000 . 1 . 46761 . . 403 VAL CB . 17976 1 669 . 1 1 202 202 VAL N N 15 122.5853 0.0000 . 1 . 40782 . . 403 VAL N . 17976 1 670 . 1 1 203 203 LYS H H 1 8.2546 0.0000 . 1 . 40814 . . 404 LYS H . 17976 1 671 . 1 1 203 203 LYS CA C 13 60.2711 0.0000 . 1 . 40816 . . 404 LYS CA . 17976 1 672 . 1 1 203 203 LYS CB C 13 28.4091 0.0000 . 1 . 43351 . . 404 LYS CB . 17976 1 673 . 1 1 203 203 LYS N N 15 121.4507 0.0000 . 1 . 40815 . . 404 LYS N . 17976 1 674 . 1 1 204 204 PRO C C 13 179.5333 0.0000 . 1 . 44494 . . 405 PRO C . 17976 1 675 . 1 1 204 204 PRO CA C 13 65.1086 0.0000 . 1 . 41977 . . 405 PRO CA . 17976 1 676 . 1 1 204 204 PRO CB C 13 29.8839 0.0000 . 1 . 43606 . . 405 PRO CB . 17976 1 677 . 1 1 205 205 ILE H H 1 6.7042 0.0000 . 1 . 44492 . . 406 ILE H . 17976 1 678 . 1 1 205 205 ILE C C 13 177.1042 0.0000 . 1 . . . . 406 ILE C . 17976 1 679 . 1 1 205 205 ILE CA C 13 64.9371 0.0000 . 1 . 45285 . . 406 ILE CA . 17976 1 680 . 1 1 205 205 ILE CB C 13 37.8792 0.0000 . 1 . 45286 . . 406 ILE CB . 17976 1 681 . 1 1 205 205 ILE N N 15 118.3910 0.0000 . 1 . 44493 . . 406 ILE N . 17976 1 682 . 1 1 206 206 GLU H H 1 8.0152 0.0000 . 1 . 44024 . . 407 GLU H . 17976 1 683 . 1 1 206 206 GLU C C 13 179.4178 0.0000 . 1 . . . . 407 GLU C . 17976 1 684 . 1 1 206 206 GLU CA C 13 58.9958 0.0000 . 1 . 47242 . . 407 GLU CA . 17976 1 685 . 1 1 206 206 GLU N N 15 120.4090 0.0000 . 1 . 44025 . . 407 GLU N . 17976 1 686 . 1 1 207 207 ASP H H 1 8.4393 0.0000 . 1 . 47243 . . 408 ASP H . 17976 1 687 . 1 1 207 207 ASP C C 13 179.5870 0.0000 . 1 . . . . 408 ASP C . 17976 1 688 . 1 1 207 207 ASP CA C 13 57.2336 0.0000 . 1 . 40876 . . 408 ASP CA . 17976 1 689 . 1 1 207 207 ASP N N 15 119.0639 0.0000 . 1 . 47244 . . 408 ASP N . 17976 1 690 . 1 1 208 208 ILE H H 1 7.3662 0.0000 . 1 . 44441 . . 409 ILE H . 17976 1 691 . 1 1 208 208 ILE C C 13 179.0710 0.0000 . 1 . . . . 409 ILE C . 17976 1 692 . 1 1 208 208 ILE CA C 13 64.9804 0.0000 . 1 . 45641 . . 409 ILE CA . 17976 1 693 . 1 1 208 208 ILE CB C 13 37.8288 0.0000 . 1 . 46950 . . 409 ILE CB . 17976 1 694 . 1 1 208 208 ILE N N 15 120.9837 0.0000 . 1 . 44442 . . 409 ILE N . 17976 1 695 . 1 1 209 209 GLN H H 1 9.0359 0.0000 . 1 . 43961 . . 410 GLN H . 17976 1 696 . 1 1 209 209 GLN C C 13 178.2786 0.0000 . 1 . . . . 410 GLN C . 17976 1 697 . 1 1 209 209 GLN CA C 13 59.6055 0.0000 . 1 . 41992 . . 410 GLN CA . 17976 1 698 . 1 1 209 209 GLN CB C 13 27.3051 0.0000 . 1 . 45288 . . 410 GLN CB . 17976 1 699 . 1 1 209 209 GLN N N 15 121.8600 0.0000 . 1 . 43962 . . 410 GLN N . 17976 1 700 . 1 1 210 210 ASP H H 1 8.8338 0.0000 . 1 . 44195 . . 411 ASP H . 17976 1 701 . 1 1 210 210 ASP C C 13 178.7888 0.0000 . 1 . . . . 411 ASP C . 17976 1 702 . 1 1 210 210 ASP CA C 13 57.5644 0.0000 . 1 . 41110 . . 411 ASP CA . 17976 1 703 . 1 1 210 210 ASP CB C 13 40.7489 0.0000 . 1 . 44197 . . 411 ASP CB . 17976 1 704 . 1 1 210 210 ASP N N 15 118.1855 0.0000 . 1 . 44196 . . 411 ASP N . 17976 1 705 . 1 1 211 211 ASN H H 1 7.1280 0.0000 . 1 . 42020 . . 412 ASN H . 17976 1 706 . 1 1 211 211 ASN C C 13 177.6002 0.0000 . 1 . . . . 412 ASN C . 17976 1 707 . 1 1 211 211 ASN CA C 13 56.1599 0.0000 . 1 . 47047 . . 412 ASN CA . 17976 1 708 . 1 1 211 211 ASN CB C 13 38.6043 0.0000 . 1 . 46941 . . 412 ASN CB . 17976 1 709 . 1 1 211 211 ASN N N 15 118.2454 0.0000 . 1 . 42021 . . 412 ASN N . 17976 1 710 . 1 1 212 212 LEU H H 1 8.2615 0.0000 . 1 . 44678 . . 413 LEU H . 17976 1 711 . 1 1 212 212 LEU C C 13 179.0714 0.0000 . 1 . . . . 413 LEU C . 17976 1 712 . 1 1 212 212 LEU CA C 13 57.4877 0.0000 . 1 . 41854 . . 413 LEU CA . 17976 1 713 . 1 1 212 212 LEU CB C 13 42.1256 0.0000 . 1 . 47052 . . 413 LEU CB . 17976 1 714 . 1 1 212 212 LEU N N 15 119.8100 0.0000 . 1 . 44679 . . 413 LEU N . 17976 1 715 . 1 1 213 213 LEU H H 1 9.3123 0.0000 . 1 . 44408 . . 414 LEU H . 17976 1 716 . 1 1 213 213 LEU C C 13 180.0523 0.0000 . 1 . . . . 414 LEU C . 17976 1 717 . 1 1 213 213 LEU CA C 13 58.1312 0.0000 . 1 . 47053 . . 414 LEU CA . 17976 1 718 . 1 1 213 213 LEU CB C 13 41.3408 0.0000 . 1 . 44140 . . 414 LEU CB . 17976 1 719 . 1 1 213 213 LEU N N 15 121.6378 0.0000 . 1 . 44409 . . 414 LEU N . 17976 1 720 . 1 1 214 214 GLN H H 1 7.9208 0.0000 . 1 . 44117 . . 415 GLN H . 17976 1 721 . 1 1 214 214 GLN C C 13 179.9636 0.0000 . 1 . . . . 415 GLN C . 17976 1 722 . 1 1 214 214 GLN CA C 13 58.8215 0.0000 . 1 . 41776 . . 415 GLN CA . 17976 1 723 . 1 1 214 214 GLN CB C 13 28.0460 0.0000 . 1 . 45651 . . 415 GLN CB . 17976 1 724 . 1 1 214 214 GLN N N 15 119.5031 0.0000 . 1 . 44118 . . 415 GLN N . 17976 1 725 . 1 1 215 215 ALA H H 1 8.3798 0.0000 . 1 . 41774 . . 416 ALA H . 17976 1 726 . 1 1 215 215 ALA C C 13 180.0097 0.0000 . 1 . . . . 416 ALA C . 17976 1 727 . 1 1 215 215 ALA CA C 13 54.4813 0.0000 . 1 . 46653 . . 416 ALA CA . 17976 1 728 . 1 1 215 215 ALA N N 15 122.8768 0.0000 . 1 . 41775 . . 416 ALA N . 17976 1 729 . 1 1 216 216 LEU H H 1 9.0900 0.0000 . 1 . 44375 . . 417 LEU H . 17976 1 730 . 1 1 216 216 LEU CA C 13 57.2956 0.0000 . 1 . 46652 . . 417 LEU CA . 17976 1 731 . 1 1 216 216 LEU N N 15 122.5628 0.0000 . 1 . 44376 . . 417 LEU N . 17976 1 732 . 1 1 217 217 GLU C C 13 178.6364 0.0000 . 1 . 44602 . . 418 GLU C . 17976 1 733 . 1 1 217 217 GLU CA C 13 59.9777 0.0000 . 1 . 41077 . . 418 GLU CA . 17976 1 734 . 1 1 217 217 GLU CB C 13 27.8659 0.0000 . 1 . 44215 . . 418 GLU CB . 17976 1 735 . 1 1 218 218 LEU H H 1 7.3619 0.0000 . 1 . 41126 . . 419 LEU H . 17976 1 736 . 1 1 218 218 LEU C C 13 177.4649 0.0000 . 1 . . . . 419 LEU C . 17976 1 737 . 1 1 218 218 LEU CA C 13 57.3476 0.0000 . 1 . 42016 . . 419 LEU CA . 17976 1 738 . 1 1 218 218 LEU CB C 13 40.5277 0.0000 . 1 . 47016 . . 419 LEU CB . 17976 1 739 . 1 1 218 218 LEU N N 15 118.6066 0.0000 . 1 . 41127 . . 419 LEU N . 17976 1 740 . 1 1 219 219 GLN H H 1 7.8966 0.0000 . 1 . 42014 . . 420 GLN H . 17976 1 741 . 1 1 219 219 GLN C C 13 178.0159 0.0000 . 1 . . . . 420 GLN C . 17976 1 742 . 1 1 219 219 GLN CA C 13 57.7363 0.0000 . 1 . 45654 . . 420 GLN CA . 17976 1 743 . 1 1 219 219 GLN CB C 13 26.5017 0.0000 . 1 . 47101 . . 420 GLN CB . 17976 1 744 . 1 1 219 219 GLN N N 15 118.5213 0.0000 . 1 . 42015 . . 420 GLN N . 17976 1 745 . 1 1 220 220 LEU H H 1 8.4704 0.0000 . 1 . 41213 . . 421 LEU H . 17976 1 746 . 1 1 220 220 LEU C C 13 179.4723 0.0000 . 1 . . . . 421 LEU C . 17976 1 747 . 1 1 220 220 LEU CA C 13 57.6592 0.0000 . 1 . 40873 . . 421 LEU CA . 17976 1 748 . 1 1 220 220 LEU CB C 13 39.9914 0.0000 . 1 . 43654 . . 421 LEU CB . 17976 1 749 . 1 1 220 220 LEU N N 15 117.1302 0.0000 . 1 . 41214 . . 421 LEU N . 17976 1 750 . 1 1 221 221 LYS H H 1 7.7075 0.0000 . 1 . 40871 . . 422 LYS H . 17976 1 751 . 1 1 221 221 LYS C C 13 178.5642 0.0000 . 1 . . . . 422 LYS C . 17976 1 752 . 1 1 221 221 LYS CA C 13 58.7967 0.0000 . 1 . 41302 . . 422 LYS CA . 17976 1 753 . 1 1 221 221 LYS CB C 13 31.3009 0.0000 . 1 . 43414 . . 422 LYS CB . 17976 1 754 . 1 1 221 221 LYS N N 15 121.0212 0.0000 . 1 . 40872 . . 422 LYS N . 17976 1 755 . 1 1 222 222 LEU H H 1 7.8782 0.0000 . 1 . 44615 . . 423 LEU H . 17976 1 756 . 1 1 222 222 LEU C C 13 179.1636 0.0000 . 1 . . . . 423 LEU C . 17976 1 757 . 1 1 222 222 LEU CA C 13 56.1313 0.0000 . 1 . 41236 . . 423 LEU CA . 17976 1 758 . 1 1 222 222 LEU CB C 13 41.2720 0.0000 . 1 . 43714 . . 423 LEU CB . 17976 1 759 . 1 1 222 222 LEU N N 15 116.8770 0.0000 . 1 . 44616 . . 423 LEU N . 17976 1 760 . 1 1 223 223 ASN H H 1 8.3737 0.0000 . 1 . 47075 . . 424 ASN H . 17976 1 761 . 1 1 223 223 ASN C C 13 175.0743 0.0000 . 1 . . . . 424 ASN C . 17976 1 762 . 1 1 223 223 ASN CA C 13 52.8093 0.0000 . 1 . 41404 . . 424 ASN CA . 17976 1 763 . 1 1 223 223 ASN CB C 13 40.1656 0.0000 . 1 . 45549 . . 424 ASN CB . 17976 1 764 . 1 1 223 223 ASN N N 15 115.9270 0.0000 . 1 . 47076 . . 424 ASN N . 17976 1 765 . 1 1 224 224 HIS H H 1 7.7075 0.0000 . 1 . 43787 . . 425 HIS H . 17976 1 766 . 1 1 224 224 HIS CA C 13 51.7845 0.0000 . 1 . 41407 . . 425 HIS CA . 17976 1 767 . 1 1 224 224 HIS CB C 13 28.2223 0.0000 . 1 . 43798 . . 425 HIS CB . 17976 1 768 . 1 1 224 224 HIS N N 15 114.9431 0.0000 . 1 . 43788 . . 425 HIS N . 17976 1 769 . 1 1 225 225 PRO C C 13 178.0448 0.0000 . 1 . 44695 . . 426 PRO C . 17976 1 770 . 1 1 225 225 PRO CA C 13 64.4686 0.0000 . 1 . 41182 . . 426 PRO CA . 17976 1 771 . 1 1 225 225 PRO CB C 13 31.0444 0.0000 . 1 . 47040 . . 426 PRO CB . 17976 1 772 . 1 1 226 226 GLU H H 1 8.9160 0.0000 . 1 . 41180 . . 427 GLU H . 17976 1 773 . 1 1 226 226 GLU C C 13 176.5682 0.0000 . 1 . . . . 427 GLU C . 17976 1 774 . 1 1 226 226 GLU CA C 13 56.0154 0.0000 . 1 . 41224 . . 427 GLU CA . 17976 1 775 . 1 1 226 226 GLU CB C 13 27.7703 0.0000 . 1 . 45348 . . 427 GLU CB . 17976 1 776 . 1 1 226 226 GLU N N 15 117.5718 0.0000 . 1 . 41181 . . 427 GLU N . 17976 1 777 . 1 1 227 227 SER H H 1 7.5554 0.0000 . 1 . 44933 . . 428 SER H . 17976 1 778 . 1 1 227 227 SER CA C 13 56.4162 0.0000 . 1 . 56233 . . 428 SER CA . 17976 1 779 . 1 1 227 227 SER CB C 13 62.6878 0.0000 . 1 . 43645 . . 428 SER CB . 17976 1 780 . 1 1 227 227 SER N N 15 117.0041 0.0000 . 1 . 44934 . . 428 SER N . 17976 1 781 . 1 1 229 229 GLN C C 13 175.4911 0.0000 . 1 . 45010 . . 430 GLN C . 17976 1 782 . 1 1 229 229 GLN CB C 13 26.9184 0.0000 . 1 . 43432 . . 430 GLN CB . 17976 1 783 . 1 1 230 230 LEU H H 1 7.1702 0.0000 . 1 . 45008 . . 431 LEU H . 17976 1 784 . 1 1 230 230 LEU C C 13 177.4202 0.0000 . 1 . . . . 431 LEU C . 17976 1 785 . 1 1 230 230 LEU CA C 13 57.9492 0.0000 . 1 . 45629 . . 431 LEU CA . 17976 1 786 . 1 1 230 230 LEU CB C 13 40.5297 0.0000 . 1 . 46980 . . 431 LEU CB . 17976 1 787 . 1 1 230 230 LEU N N 15 121.2669 0.0000 . 1 . 45009 . . 431 LEU N . 17976 1 788 . 1 1 231 231 PHE H H 1 8.6130 0.0000 . 1 . 41090 . . 432 PHE H . 17976 1 789 . 1 1 231 231 PHE C C 13 175.8886 0.0000 . 1 . . . . 432 PHE C . 17976 1 790 . 1 1 231 231 PHE CA C 13 60.9903 0.0000 . 1 . 41068 . . 432 PHE CA . 17976 1 791 . 1 1 231 231 PHE CB C 13 37.9007 0.0000 . 1 . 44263 . . 432 PHE CB . 17976 1 792 . 1 1 231 231 PHE N N 15 118.7746 0.0000 . 1 . 41091 . . 432 PHE N . 17976 1 793 . 1 1 232 232 ALA H H 1 7.9121 0.0000 . 1 . 45519 . . 433 ALA H . 17976 1 794 . 1 1 232 232 ALA C C 13 181.5946 0.0000 . 1 . . . . 433 ALA C . 17976 1 795 . 1 1 232 232 ALA CA C 13 54.7178 0.0000 . 1 . 45628 . . 433 ALA CA . 17976 1 796 . 1 1 232 232 ALA CB C 13 17.1783 0.0000 . 1 . 45402 . . 433 ALA CB . 17976 1 797 . 1 1 232 232 ALA N N 15 120.2237 0.0000 . 1 . 45520 . . 433 ALA N . 17976 1 798 . 1 1 233 233 LYS H H 1 8.0882 0.0000 . 1 . 41084 . . 434 LYS H . 17976 1 799 . 1 1 233 233 LYS C C 13 179.8886 0.0000 . 1 . . . . 434 LYS C . 17976 1 800 . 1 1 233 233 LYS CA C 13 58.8853 0.0000 . 1 . 41086 . . 434 LYS CA . 17976 1 801 . 1 1 233 233 LYS CB C 13 31.5798 0.0000 . 1 . 45405 . . 434 LYS CB . 17976 1 802 . 1 1 233 233 LYS N N 15 118.4192 0.0000 . 1 . 41085 . . 434 LYS N . 17976 1 803 . 1 1 234 234 LEU H H 1 8.5774 0.0000 . 1 . 41771 . . 435 LEU H . 17976 1 804 . 1 1 234 234 LEU C C 13 178.8492 0.0000 . 1 . . . . 435 LEU C . 17976 1 805 . 1 1 234 234 LEU CA C 13 57.1828 0.0000 . 1 . 40723 . . 435 LEU CA . 17976 1 806 . 1 1 234 234 LEU N N 15 122.5162 0.0000 . 1 . 41772 . . 435 LEU N . 17976 1 807 . 1 1 235 235 LEU H H 1 8.0127 0.0000 . 1 . 40994 . . 436 LEU H . 17976 1 808 . 1 1 235 235 LEU C C 13 181.2726 0.0000 . 1 . . . . 436 LEU C . 17976 1 809 . 1 1 235 235 LEU CA C 13 57.6874 0.0000 . 1 . 40996 . . 436 LEU CA . 17976 1 810 . 1 1 235 235 LEU CB C 13 39.1969 0.0000 . 1 . 46549 . . 436 LEU CB . 17976 1 811 . 1 1 235 235 LEU N N 15 119.5161 0.0000 . 1 . 40995 . . 436 LEU N . 17976 1 812 . 1 1 236 236 GLN H H 1 7.4813 0.0000 . 1 . 42017 . . 437 GLN H . 17976 1 813 . 1 1 236 236 GLN CA C 13 58.0697 0.0000 . 1 . 46550 . . 437 GLN CA . 17976 1 814 . 1 1 236 236 GLN CB C 13 27.0508 0.0000 . 1 . 43621 . . 437 GLN CB . 17976 1 815 . 1 1 236 236 GLN N N 15 118.7815 0.0000 . 1 . 42018 . . 437 GLN N . 17976 1 816 . 1 1 237 237 LYS H H 1 7.8642 0.0000 . 1 . 42320 . . 438 LYS H . 17976 1 817 . 1 1 237 237 LYS C C 13 178.5666 0.0000 . 1 . 44614 . . 438 LYS C . 17976 1 818 . 1 1 237 237 LYS CA C 13 58.2018 0.0000 . 1 . 41209 . . 438 LYS CA . 17976 1 819 . 1 1 237 237 LYS N N 15 117.4327 0.0000 . 1 . 42321 . . 438 LYS N . 17976 1 820 . 1 1 238 238 MET H H 1 8.2240 0.0000 . 1 . 44462 . . 439 MET H . 17976 1 821 . 1 1 238 238 MET C C 13 178.6097 0.0000 . 1 . . . . 439 MET C . 17976 1 822 . 1 1 238 238 MET CA C 13 57.8048 0.0000 . 1 . 47105 . . 439 MET CA . 17976 1 823 . 1 1 238 238 MET N N 15 119.3880 0.0000 . 1 . 44463 . . 439 MET N . 17976 1 824 . 1 1 239 239 THR H H 1 7.4498 0.0000 . 1 . 44624 . . 440 THR H . 17976 1 825 . 1 1 239 239 THR CA C 13 65.9186 0.0000 . 1 . 41281 . . 440 THR CA . 17976 1 826 . 1 1 239 239 THR CB C 13 68.0081 0.0000 . 1 . 43690 . . 440 THR CB . 17976 1 827 . 1 1 239 239 THR N N 15 116.0867 0.0000 . 1 . 44625 . . 440 THR N . 17976 1 828 . 1 1 240 240 ASP H H 1 7.8879 0.0000 . 1 . 43481 . . 441 ASP H . 17976 1 829 . 1 1 240 240 ASP CB C 13 39.7385 0.0000 . 1 . 43483 . . 441 ASP CB . 17976 1 830 . 1 1 240 240 ASP N N 15 119.8046 0.0000 . 1 . 43482 . . 441 ASP N . 17976 1 831 . 1 1 241 241 LEU C C 13 178.0864 0.0000 . 1 . 44719 . . 442 LEU C . 17976 1 832 . 1 1 241 241 LEU CA C 13 57.6105 0.0000 . 1 . 41221 . . 442 LEU CA . 17976 1 833 . 1 1 242 242 ARG H H 1 7.2423 0.0000 . 1 . 41303 . . 443 ARG H . 17976 1 834 . 1 1 242 242 ARG C C 13 179.2439 0.0000 . 1 . . . . 443 ARG C . 17976 1 835 . 1 1 242 242 ARG CA C 13 59.2432 0.0000 . 1 . 46623 . . 443 ARG CA . 17976 1 836 . 1 1 242 242 ARG N N 15 116.7967 0.0000 . 1 . 41304 . . 443 ARG N . 17976 1 837 . 1 1 243 243 GLN H H 1 7.3142 0.0000 . 1 . 44468 . . 444 GLN H . 17976 1 838 . 1 1 243 243 GLN C C 13 178.3219 0.0000 . 1 . . . . 444 GLN C . 17976 1 839 . 1 1 243 243 GLN CA C 13 57.7954 0.0000 . 1 . 41932 . . 444 GLN CA . 17976 1 840 . 1 1 243 243 GLN N N 15 119.0879 0.0000 . 1 . 44469 . . 444 GLN N . 17976 1 841 . 1 1 244 244 ILE H H 1 7.7050 0.0000 . 1 . 40943 . . 445 ILE H . 17976 1 842 . 1 1 244 244 ILE C C 13 180.0095 0.0000 . 1 . . . . 445 ILE C . 17976 1 843 . 1 1 244 244 ILE CA C 13 64.1703 0.0000 . 1 . 40945 . . 445 ILE CA . 17976 1 844 . 1 1 244 244 ILE N N 15 119.5665 0.0000 . 1 . 40944 . . 445 ILE N . 17976 1 845 . 1 1 245 245 VAL H H 1 7.9403 0.0000 . 1 . 41537 . . 446 VAL H . 17976 1 846 . 1 1 245 245 VAL CA C 13 66.3652 0.0000 . 1 . 40801 . . 446 VAL CA . 17976 1 847 . 1 1 245 245 VAL N N 15 121.6799 0.0000 . 1 . 41538 . . 446 VAL N . 17976 1 848 . 1 1 249 249 VAL C C 13 175.3412 0.0000 . 1 . 45007 . . 450 VAL C . 17976 1 849 . 1 1 250 250 GLN C C 13 179.0096 0.0000 . 1 . 44542 . . 451 GLN C . 17976 1 850 . 1 1 250 250 GLN CA C 13 58.6733 0.0000 . 1 . 47191 . . 451 GLN CA . 17976 1 851 . 1 1 251 251 LEU H H 1 7.7512 0.0000 . 1 . 40727 . . 452 LEU H . 17976 1 852 . 1 1 251 251 LEU CA C 13 57.1745 0.0000 . 1 . 47154 . . 452 LEU CA . 17976 1 853 . 1 1 251 251 LEU N N 15 122.8984 0.0000 . 1 . 40728 . . 452 LEU N . 17976 1 854 . 1 1 252 252 LEU H H 1 8.1156 0.0000 . 1 . 44564 . . 453 LEU H . 17976 1 855 . 1 1 252 252 LEU CA C 13 57.4835 0.0000 . 1 . 40990 . . 453 LEU CA . 17976 1 856 . 1 1 252 252 LEU N N 15 119.4487 0.0000 . 1 . 44565 . . 453 LEU N . 17976 1 857 . 1 1 253 253 GLN H H 1 7.6627 0.0000 . 1 . 44495 . . 454 GLN H . 17976 1 858 . 1 1 253 253 GLN CA C 13 58.0329 0.0000 . 1 . 48120 . . 454 GLN CA . 17976 1 859 . 1 1 253 253 GLN N N 15 117.2851 0.0000 . 1 . 44496 . . 454 GLN N . 17976 1 860 . 1 1 254 254 VAL H H 1 7.5246 0.0000 . 1 . 42272 . . 455 VAL H . 17976 1 861 . 1 1 254 254 VAL CA C 13 66.0787 0.0000 . 1 . 48111 . . 455 VAL CA . 17976 1 862 . 1 1 254 254 VAL N N 15 121.7827 0.0000 . 1 . 42273 . . 455 VAL N . 17976 1 863 . 1 1 256 256 LYS C C 13 177.9007 0.0000 . 1 . 44725 . . 457 LYS C . 17976 1 864 . 1 1 256 256 LYS CA C 13 58.4854 0.0000 . 1 . 47134 . . 457 LYS CA . 17976 1 865 . 1 1 257 257 LYS H H 1 7.4134 0.0000 . 1 . 41333 . . 458 LYS H . 17976 1 866 . 1 1 257 257 LYS C C 13 177.9641 0.0000 . 1 . . . . 458 LYS C . 17976 1 867 . 1 1 257 257 LYS CA C 13 57.6322 0.0000 . 1 . 47136 . . 458 LYS CA . 17976 1 868 . 1 1 257 257 LYS N N 15 115.5244 0.0000 . 1 . 41334 . . 458 LYS N . 17976 1 869 . 1 1 258 258 THR H H 1 7.6056 0.0000 . 1 . 44765 . . 459 THR H . 17976 1 870 . 1 1 258 258 THR C C 13 175.0209 0.0000 . 1 . . . . 459 THR C . 17976 1 871 . 1 1 258 258 THR CA C 13 62.8020 0.0000 . 1 . 47108 . . 459 THR CA . 17976 1 872 . 1 1 258 258 THR N N 15 108.8037 0.0000 . 1 . 44766 . . 459 THR N . 17976 1 873 . 1 1 259 259 GLU H H 1 8.0310 0.0000 . 1 . 45077 . . 460 GLU H . 17976 1 874 . 1 1 259 259 GLU CA C 13 54.5402 0.0000 . 1 . 47111 . . 460 GLU CA . 17976 1 875 . 1 1 259 259 GLU N N 15 123.2464 0.0000 . 1 . 45078 . . 460 GLU N . 17976 1 876 . 1 1 274 274 ASP C C 13 175.6244 0.0000 . 1 . 45001 . . 475 ASP C . 17976 1 877 . 1 1 274 274 ASP CA C 13 54.9160 0.0000 . 1 . 40573 . . 475 ASP CA . 17976 1 878 . 1 1 275 275 LEU H H 1 7.6953 0.0000 . 1 . 42338 . . 476 LEU H . 17976 1 879 . 1 1 275 275 LEU C C 13 175.8406 0.0000 . 1 . . . . 476 LEU C . 17976 1 880 . 1 1 275 275 LEU CA C 13 55.3144 0.0000 . 1 . 41755 . . 476 LEU CA . 17976 1 881 . 1 1 275 275 LEU N N 15 120.6915 0.0000 . 1 . 42339 . . 476 LEU N . 17976 1 882 . 1 1 276 276 TYR H H 1 7.3849 0.0000 . 1 . 40667 . . 477 TYR H . 17976 1 883 . 1 1 276 276 TYR CA C 13 58.6926 0.0000 . 1 . 48085 . . 477 TYR CA . 17976 1 884 . 1 1 276 276 TYR N N 15 123.5234 0.0000 . 1 . 40668 . . 477 TYR N . 17976 1 stop_ save_