data_15219 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15219 _Entry.Title ; Backbone 1H, 15N and 13C chemical shift assingments for human retinoid X receptor ligand-binding domain in complex with 9-cis retinoic acid and a glucocorticoid receptor interacting protein-1 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-19 _Entry.Accession_date 2007-04-19 _Entry.Last_release_date 2008-02-20 _Entry.Original_release_date 2008-02-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jianyun Lu . . . 15219 2 Minghe Chen . . . 15219 3 Gregory DeKoster . T. . 15219 4 David Cistola . P. . 15219 5 Ellen Li . . . 15219 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15219 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 578 15219 '15N chemical shifts' 182 15219 '1H chemical shifts' 182 15219 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 . . 2008-02-20 2007-04-19 original author . 15219 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15219 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18088598 _Citation.Full_citation . _Citation.Title 'The RXRalpha C-terminus T462 is a NMR sensor for coactivator peptide binding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 366 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 932 _Citation.Page_last 937 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jianyun Lu . . . 15219 1 2 Minghe Chen . . . 15219 1 3 Gregory DeKoster . T. . 15219 1 4 David Cistola . P. . 15219 1 5 Ellen Li . . . 15219 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 15219 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16460010 _Citation.Full_citation . _Citation.Title ; Analysis of Ligand Binding and Protein Dynamics of Human Retinoid X Receptor Alpha Ligand-Binding Domain by Nuclear Magnetic Resonance ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1629 _Citation.Page_last 1639 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jianyun Lu . . . 15219 2 2 David Cistola . P. . 15219 2 3 Ellen Li . . . 15219 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID activation 15219 2 dynamics 15219 2 NMR 15219 2 RXRalpha 15219 2 structure 15219 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15219 _Assembly.ID 1 _Assembly.Name 'RXRalpha LBD ternary complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'RXRalpha LBD in complex with 9-cis-retinoic acid and GRIP1 NR box 2 peptide' _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 'RXRalpha LBD' 1 $RXRalpha_LBD A . yes native yes yes . receptor . 15219 1 2 'GRIP1 NR Box 2' 2 $GRIP1_NR_Box_2 A . no native no no . cofactor . 15219 1 3 '9-cis-retinoic acid' 3 $REA A . no native no no . ligand . 15219 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RXRalpha_LBD _Entity.Sf_category entity _Entity.Sf_framecode RXRalpha_LBD _Entity.Entry_ID 15219 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RXRalpha_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 ; GSHMTSSANEDMPVERILEA ELAVEPKTETYVEANMGLNP SSPNDPVTNICQAADKQLFT LVEWAKRIPHFSELPLDDQV ILLRAGWNELLIASFSHRSI AVKDGILLATGLHVHRNSAH SAGVGAIFDRVLTELVSKMR DMQMDKTELGCLRAIVLFNP DSKGLSNPAEVEALREKVYA SLEAYCKHKYPEQPGRFAKL LLRLPALRSIGLKCLEHLFF FKLIGDTPIDTFLMEMLEAP HQMT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 represent a non-native affinity tag remnant' _Entity.Ambiguous_conformational_states yes _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 244 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'retinoid X receptor alpha ligand-binding domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 27235.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1DKF . "Crystal Structure Of A Heterodimeric Complex Of Rar And Rxr Ligand-Binding Domains" . . . . . 95.49 233 99.14 99.57 9.37e-168 . . . . 15219 1 2 no PDB 1FBY . "Crystal Structure Of The Human Rxr Alpha Ligand Binding Domain Bound To 9-Cis Retinoic Acid" . . . . . 97.95 239 100.00 100.00 5.07e-175 . . . . 15219 1 3 no PDB 1FM6 . "The 2.1 Angstrom Resolution Crystal Structure Of The Heterodimer Of The Human Rxralpha And Ppargamma Ligand Binding Domains Res" . . . . . 97.54 238 100.00 100.00 5.37e-174 . . . . 15219 1 4 no PDB 1FM9 . "The 2.1 Angstrom Resolution Crystal Structure Of The Heterodimer Of The Human Rxralpha And Ppargamma Ligand Binding Domains Res" . . . . . 97.54 238 100.00 100.00 5.37e-174 . . . . 15219 1 5 no PDB 1G1U . "The 2.5 Angstrom Resolution Crystal Structure Of The Rxralpha Ligand Binding Domain In Tetramer In The Absence Of Ligand" . . . . . 97.54 238 100.00 100.00 5.37e-174 . . . . 15219 1 6 no PDB 1G5Y . "The 2.0 Angstrom Resolution Crystal Structure Of The Rxralpha Ligand Binding Domain Tetramer In The Presence Of A Non-Activatin" . . . . . 97.54 238 100.00 100.00 5.37e-174 . . . . 15219 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" . . . . . 97.54 238 100.00 100.00 5.37e-174 . . . . 15219 1 8 no PDB 1LBD . "Ligand-Binding Domain Of The Human Nuclear Receptor Rxr-Alpha" . . . . . 98.36 282 100.00 100.00 4.17e-175 . . . . 15219 1 9 no PDB 1MV9 . "Crystal Structure Of The Human Rxr Alpha Ligand Binding Domain Bound To The Eicosanoid Dha (Docosa Hexaenoic Acid) And A Coacti" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 10 no PDB 1MVC . "Crystal Structure Of The Human Rxr Alpha Ligand Binding Domain Bound To The Synthetic Agonist Compound Bms 649 And A Coactivato" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 11 no PDB 1MZN . "Crystal Structure At 1.9 Angstroems Resolution Of The Homodimer Of Human Rxr Alpha Ligand Binding Domain Bound To The Synthetic" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 12 no PDB 1RDT . "Crystal Structure Of A New Rexinoid Bound To The Rxralpha Ligand Binding Doamin In The RxralphaPPARGAMMA HETERODIMER" . . . . . 97.95 242 99.58 99.58 3.37e-174 . . . . 15219 1 13 no PDB 1XDK . "Crystal Structure Of The RarbetaRXRALPHA LIGAND BINDING Domain Heterodimer In Complex With 9-Cis Retinoic Acid And A Fragment O" . . . . . 97.54 238 99.16 99.58 1.23e-172 . . . . 15219 1 14 no PDB 1XLS . "Crystal Structure Of The Mouse CarRXR LBD HETERODIMER Bound To Tcpobop And 9cra And A Tif2 Peptide Containg The Third Lxxll Mot" . . . . . 95.08 232 100.00 100.00 3.83e-169 . . . . 15219 1 15 no PDB 1XV9 . "Crystal Structure Of CarRXR HETERODIMER BOUND WITH SRC1 Peptide, Fatty Acid, And 5b-Pregnane-3,20-Dione." . . . . . 96.72 236 100.00 100.00 1.18e-172 . . . . 15219 1 16 no PDB 1XVP . "Crystal Structure Of CarRXR HETERODIMER BOUND WITH SRC1 Peptide, Fatty Acid And Citco" . . . . . 96.72 236 100.00 100.00 1.18e-172 . . . . 15219 1 17 no PDB 2ACL . "Liver X-Receptor Alpha Ligand Binding Domain With Sb313987" . . . . . 97.54 238 100.00 100.00 5.37e-174 . . . . 15219 1 18 no PDB 2P1T . "Crystal Structure Of The Ligand Binding Domain Of The Retinoid X Receptor Alpha In Complex With 3-(2'-Methoxy)- Tetrahydronapht" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 19 no PDB 2P1U . "Crystal Structure Of The Ligand Binding Domain Of The Retinoid X Receptor Alpha In Complex With 3-(2'-Ethoxy)- Tetrahydronaphty" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 20 no PDB 2P1V . "Crystal Structure Of The Ligand Binding Domain Of The Retinoid X Receptor Alpha In Complex With 3-(2'-Propoxy)- Tetrahydronapht" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 21 no PDB 2ZXZ . "Crystal Structure Of The Human Rxr Alpha Ligand Binding Domain Bound To A Synthetic Agonist Compound And A Coactivator Peptide" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 22 no PDB 2ZY0 . "Crystal Structure Of The Human Rxr Alpha Ligand Binding Domain Bound To A Synthetic Agonist Compound And A Coactivator Peptide" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 23 no PDB 3A9E . "Crystal Structure Of A Mixed Agonist-bound Rar-alpha And Antagonist- Bound Rxr-alpha Heterodimer Ligand Binding Domains" . . . . . 98.36 240 99.17 99.58 3.65e-174 . . . . 15219 1 24 no PDB 3DZU . "Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex On Dna Bound With Bvt.13, 9-Cis Retinoic Acid And Ncoa2 Peptide" . . . . . 98.36 467 100.00 100.00 4.10e-172 . . . . 15219 1 25 no PDB 3DZY . "Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex On Dna Bound With Rosiglitazone, 9-Cis Retinoic Acid And Ncoa2 Peptide" . . . . . 98.36 467 100.00 100.00 4.10e-172 . . . . 15219 1 26 no PDB 3E00 . "Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex On Dna Bound With Gw9662, 9-Cis Retinoic Acid And Ncoa2 Peptide" . . . . . 98.36 467 100.00 100.00 4.10e-172 . . . . 15219 1 27 no PDB 3E94 . "Crystal Structure Of Rxralpha Ligand Binding Domain In Complex With Tributyltin And A Coactivator Fragment" . . . . . 100.00 244 100.00 100.00 4.18e-179 . . . . 15219 1 28 no PDB 3FAL . "Humanrxr Alpha & Mouse Lxr Alpha Complexed With Retenoic Acid And Gsk2186" . . . . . 97.95 242 99.58 99.58 3.37e-174 . . . . 15219 1 29 no PDB 3FC6 . "Hrxralpha & Mlxralpha With An Indole Pharmacophore, Sb786875" . . . . . 97.95 242 99.58 99.58 3.37e-174 . . . . 15219 1 30 no PDB 3FUG . "Crystal Structure Of The Retinoid X Receptor Ligand Binding Domain Bound To The Synthetic Agonist 3-[4-Hydroxy-3-(3,5, 5,8,8-Pe" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 31 no PDB 3H0A . "Crystal Structure Of Peroxisome Proliferator-activated Receptor Gamma (pparg) And Retinoic Acid Receptor Alpha (rxra) In Comple" . . . . . 93.44 228 100.00 100.00 7.25e-166 . . . . 15219 1 32 no PDB 3KWY . "Crystal Structure Of Rxralpha Ligand Binding Domain In Complex With Triphenyltin And A Coactivator Fragment" . . . . . 100.00 244 100.00 100.00 4.18e-179 . . . . 15219 1 33 no PDB 3NSP . "Crystal Structure Of Tetrameric Rxralpha-Lbd" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 34 no PDB 3NSQ . "Crystal Structure Of Tetrameric Rxralpha-Lbd Complexed With Antagonist Danthron" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 35 no PDB 3OAP . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 9-cis Retinoic Acid And The Coactivator" . . . . . 94.67 231 100.00 100.00 3.26e-168 . . . . 15219 1 36 no PDB 3OZJ . "Crystal Structure Of Human Retinoic X Receptor Alpha Complexed With Bigelovin And Coactivator Src-1" . . . . . 97.54 238 100.00 100.00 5.37e-174 . . . . 15219 1 37 no PDB 3PCU . "Crystal Structure Of Human Retinoic X Receptor Alpha Ligand-Binding Domain Complexed With Lx0278 And Src1 Peptide" . . . . . 94.26 230 100.00 100.00 1.91e-167 . . . . 15219 1 38 no PDB 3R29 . "Crystal Structure Of Rxralpha Ligand-Binding Domain Complexed With Corepressor Smrt2" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 39 no PDB 3R2A . "Crystal Structure Of Rxralpha Ligand-Binding Domain Complexed With Corepressor Smrt2 And Antagonist Rhein" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 40 no PDB 3R5M . "Crystal Structure Of Rxralphalbd Complexed With The Agonist Magnolol" . . . . . 98.36 240 100.00 100.00 1.04e-175 . . . . 15219 1 41 no PDB 3UVV . "Crystal Structure Of The Ligand Binding Domains Of The Thyroid Receptor:retinoid X Receptor Complexed With 3,3',5 Triiodo-L- Th" . . . . . 97.95 244 99.58 99.58 3.39e-174 . . . . 15219 1 42 no PDB 4J5W . "Crystal Structure Of The Apo-pxr/rxralpha Lbd Heterotetramer Complex" . . . . . 96.72 264 100.00 100.00 1.59e-172 . . . . 15219 1 43 no PDB 4J5X . "Crystal Structure Of The Sr12813-bound Pxr/rxralpha Lbd Heterotetramer Complex" . . . . . 96.72 264 100.00 100.00 1.59e-172 . . . . 15219 1 44 no PDB 4K4J . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 9cuab30 And The Coactivator Peptide Gri" . . . . . 94.67 231 100.00 100.00 3.26e-168 . . . . 15219 1 45 no PDB 4K6I . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With Targretin And The Coactivator Peptide G" . . . . . 94.67 231 100.00 100.00 3.26e-168 . . . . 15219 1 46 no PDB 4M8E . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With (s) 4-methyl 9cuab30 Coactivator Peptid" . . . . . 94.67 231 100.00 100.00 3.26e-168 . . . . 15219 1 47 no PDB 4M8H . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With (r)4-methyl 9cuab30 And Coactivator Pep" . . . . . 94.67 231 100.00 100.00 3.26e-168 . . . . 15219 1 48 no PDB 4N5G . "Crystal Structure Of Rxra Lbd Complexed With A Synthetic Modulator K8012" . . . . . 100.00 244 100.00 100.00 4.18e-179 . . . . 15219 1 49 no PDB 4N8R . "Crystal Structure Of Rxra Lbd Complexed With A Synthetic Modulator K- 8008" . . . . . 100.00 244 100.00 100.00 4.18e-179 . . . . 15219 1 50 no PDB 4NQA . "Crystal Structure Of Liganded Hrxr-alpha/hlxr-beta Heterodimer On Dna" . . . . . 98.36 365 100.00 100.00 9.93e-174 . . . . 15219 1 51 no PDB 4OC7 . "Retinoic Acid Receptor Alpha In Complex With (e)-3-(3'-allyl-6- Hydroxy-[1,1'-biphenyl]-3-yl)acrylic Acid And A Fragment Of The" . . . . . 100.00 254 100.00 100.00 2.56e-179 . . . . 15219 1 52 no PDB 4POH . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 8-methyl Uab30 And The Coactivator Pept" . . . . . 94.67 231 100.00 100.00 3.26e-168 . . . . 15219 1 53 no PDB 4POJ . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 7-methyl Uab30 And The Coactivator Pept" . . . . . 94.67 231 100.00 100.00 3.26e-168 . . . . 15219 1 54 no PDB 4PP3 . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 6-methyl Uab30 And The Coactivator Pept" . . . . . 94.67 231 100.00 100.00 3.26e-168 . . . . 15219 1 55 no PDB 4PP5 . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 5-methyl Uab30 And The Coactivator Pept" . . . . . 94.67 231 100.00 100.00 3.26e-168 . . . . 15219 1 56 no PDB 4RFW . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 9cuab70 And The Coactivator Peptide Gri" . . . . . 94.67 231 100.00 100.00 3.26e-168 . . . . 15219 1 57 no PDB 4RMC . "Crystal Structure Of Human Retinoid X Receptor Alpha-ligand Binding Domain Complex With 9cuab76 And The Coactivator Peptide Gri" . . . . . 94.67 231 100.00 100.00 3.26e-168 . . . . 15219 1 58 no PDB 4RMD . "Crystal Structure Of Human Retinoid X Receptor Alpha Ligand Binding Domain Complex With 9cuab110 And Coactivator Peptide Grip-1" . . . . . 96.31 235 100.00 100.00 1.13e-171 . . . . 15219 1 59 no PDB 4RME . "Crystal Structure Of Human Retinoid X Receptor Alpha Ligand Binding Domain Complex With 9cuab111 And Coactivator Peptide Grip-1" . . . . . 96.31 235 100.00 100.00 1.13e-171 . . . . 15219 1 60 no PDB 4ZO1 . "Crystal Structure Of The T3-bound Tr-beta Ligand-binding Domain In Complex With Rxr-alpha" . . . . . 92.21 225 100.00 100.00 2.76e-163 . . . . 15219 1 61 no DBJ BAE26004 . "unnamed protein product [Mus musculus]" . . . . . 98.36 467 99.17 99.58 1.01e-170 . . . . 15219 1 62 no DBJ BAE73032 . "hypothetical protein [Macaca fascicularis]" . . . . . 98.36 462 98.75 98.75 4.54e-170 . . . . 15219 1 63 no DBJ BAG54745 . "unnamed protein product [Homo sapiens]" . . . . . 98.36 365 100.00 100.00 9.93e-174 . . . . 15219 1 64 no DBJ BAG72733 . "retinoid X receptor, alpha [synthetic construct]" . . . . . 98.36 462 100.00 100.00 2.31e-172 . . . . 15219 1 65 no DBJ BAH02296 . "retinoid X receptor, alpha [Homo sapiens]" . . . . . 98.36 462 100.00 100.00 2.31e-172 . . . . 15219 1 66 no EMBL CAA36982 . "unnamed protein product [Homo sapiens]" . . . . . 98.36 462 100.00 100.00 2.31e-172 . . . . 15219 1 67 no EMBL CAA46962 . "retinoid X receptor-alpha [Mus musculus]" . . . . . 98.36 467 99.17 99.58 1.14e-170 . . . . 15219 1 68 no EMBL CAL25727 . "retinoid X receptor alpha [Rattus norvegicus]" . . . . . 98.36 467 99.17 99.58 7.80e-171 . . . . 15219 1 69 no EMBL CAL25728 . "retinoid X receptor alpha [Rattus norvegicus]" . . . . . 98.36 467 99.17 99.58 7.80e-171 . . . . 15219 1 70 no EMBL CAL36079 . "retinoid X receptor alpha [Rattus norvegicus]" . . . . . 98.36 467 99.17 99.58 7.80e-171 . . . . 15219 1 71 no GB AAA40080 . "retinoid X receptor alpha [Mus musculus]" . . . . . 98.36 467 99.17 99.58 1.14e-170 . . . . 15219 1 72 no GB AAA42093 . "retinoid X receptor alpha [Rattus norvegicus]" . . . . . 98.36 467 99.17 99.58 6.92e-171 . . . . 15219 1 73 no GB AAB36777 . "RXR alpha 2 [Mus musculus]" . . . . . 98.36 439 99.17 99.58 9.54e-171 . . . . 15219 1 74 no GB AAB36778 . "RXR alpha 3 [Mus musculus]" . . . . . 98.36 439 99.17 99.58 9.54e-171 . . . . 15219 1 75 no GB AAC95154 . "retinoic acid receptor RXR [Cloning vector pERV3]" . . . . . 98.36 479 100.00 100.00 3.14e-172 . . . . 15219 1 76 no PRF 1609194A . "retinoic acid receptor RXRalpha" . . . . . 98.36 462 100.00 100.00 2.31e-172 . . . . 15219 1 77 no REF NP_001277410 . "retinoic acid receptor RXR-alpha isoform 2 [Mus musculus]" . . . . . 98.36 439 99.17 99.58 9.54e-171 . . . . 15219 1 78 no REF NP_001277411 . "retinoic acid receptor RXR-alpha isoform 2 [Mus musculus]" . . . . . 98.36 439 99.17 99.58 9.54e-171 . . . . 15219 1 79 no REF NP_001278849 . "retinoic acid receptor RXR-alpha isoform b [Homo sapiens]" . . . . . 98.36 435 100.00 100.00 2.24e-172 . . . . 15219 1 80 no REF NP_001278850 . "retinoic acid receptor RXR-alpha isoform c [Homo sapiens]" . . . . . 98.36 365 100.00 100.00 9.93e-174 . . . . 15219 1 81 no REF NP_001291272 . "retinoid X receptor, alpha [Bos taurus]" . . . . . 98.36 439 98.75 100.00 7.26e-171 . . . . 15219 1 82 no SP P19793 . "RecName: Full=Retinoic acid receptor RXR-alpha; AltName: Full=Nuclear receptor subfamily 2 group B member 1; AltName: Full=Reti" . . . . . 98.36 462 100.00 100.00 2.31e-172 . . . . 15219 1 83 no SP P28700 . "RecName: Full=Retinoic acid receptor RXR-alpha; AltName: Full=Nuclear receptor subfamily 2 group B member 1; AltName: Full=Reti" . . . . . 98.36 467 99.17 99.58 1.14e-170 . . . . 15219 1 84 no SP Q05343 . "RecName: Full=Retinoic acid receptor RXR-alpha; AltName: Full=Nuclear receptor subfamily 2 group B member 1; AltName: Full=Reti" . . . . . 98.36 467 99.17 99.58 6.92e-171 . . . . 15219 1 85 no TPG DAA24096 . "TPA: retinoid X receptor, alpha [Bos taurus]" . . . . . 99.18 404 97.93 99.17 2.62e-169 . . . . 15219 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 -4 GLY . 15219 1 2 -3 SER . 15219 1 3 -2 HIS . 15219 1 4 -1 MET . 15219 1 5 223 THR . 15219 1 6 224 SER . 15219 1 7 225 SER . 15219 1 8 226 ALA . 15219 1 9 227 ASN . 15219 1 10 228 GLU . 15219 1 11 229 ASP . 15219 1 12 230 MET . 15219 1 13 231 PRO . 15219 1 14 232 VAL . 15219 1 15 233 GLU . 15219 1 16 234 ARG . 15219 1 17 235 ILE . 15219 1 18 236 LEU . 15219 1 19 237 GLU . 15219 1 20 238 ALA . 15219 1 21 239 GLU . 15219 1 22 240 LEU . 15219 1 23 241 ALA . 15219 1 24 242 VAL . 15219 1 25 243 GLU . 15219 1 26 244 PRO . 15219 1 27 245 LYS . 15219 1 28 246 THR . 15219 1 29 247 GLU . 15219 1 30 248 THR . 15219 1 31 249 TYR . 15219 1 32 250 VAL . 15219 1 33 251 GLU . 15219 1 34 252 ALA . 15219 1 35 253 ASN . 15219 1 36 254 MET . 15219 1 37 255 GLY . 15219 1 38 256 LEU . 15219 1 39 257 ASN . 15219 1 40 258 PRO . 15219 1 41 259 SER . 15219 1 42 260 SER . 15219 1 43 261 PRO . 15219 1 44 262 ASN . 15219 1 45 263 ASP . 15219 1 46 264 PRO . 15219 1 47 265 VAL . 15219 1 48 266 THR . 15219 1 49 267 ASN . 15219 1 50 268 ILE . 15219 1 51 269 CYS . 15219 1 52 270 GLN . 15219 1 53 271 ALA . 15219 1 54 272 ALA . 15219 1 55 273 ASP . 15219 1 56 274 LYS . 15219 1 57 275 GLN . 15219 1 58 276 LEU . 15219 1 59 277 PHE . 15219 1 60 278 THR . 15219 1 61 279 LEU . 15219 1 62 280 VAL . 15219 1 63 281 GLU . 15219 1 64 282 TRP . 15219 1 65 283 ALA . 15219 1 66 284 LYS . 15219 1 67 285 ARG . 15219 1 68 286 ILE . 15219 1 69 287 PRO . 15219 1 70 288 HIS . 15219 1 71 289 PHE . 15219 1 72 290 SER . 15219 1 73 291 GLU . 15219 1 74 292 LEU . 15219 1 75 293 PRO . 15219 1 76 294 LEU . 15219 1 77 295 ASP . 15219 1 78 296 ASP . 15219 1 79 297 GLN . 15219 1 80 298 VAL . 15219 1 81 299 ILE . 15219 1 82 300 LEU . 15219 1 83 301 LEU . 15219 1 84 302 ARG . 15219 1 85 303 ALA . 15219 1 86 304 GLY . 15219 1 87 305 TRP . 15219 1 88 306 ASN . 15219 1 89 307 GLU . 15219 1 90 308 LEU . 15219 1 91 309 LEU . 15219 1 92 310 ILE . 15219 1 93 311 ALA . 15219 1 94 312 SER . 15219 1 95 313 PHE . 15219 1 96 314 SER . 15219 1 97 315 HIS . 15219 1 98 316 ARG . 15219 1 99 317 SER . 15219 1 100 318 ILE . 15219 1 101 319 ALA . 15219 1 102 320 VAL . 15219 1 103 321 LYS . 15219 1 104 322 ASP . 15219 1 105 323 GLY . 15219 1 106 324 ILE . 15219 1 107 325 LEU . 15219 1 108 326 LEU . 15219 1 109 327 ALA . 15219 1 110 328 THR . 15219 1 111 329 GLY . 15219 1 112 330 LEU . 15219 1 113 331 HIS . 15219 1 114 332 VAL . 15219 1 115 333 HIS . 15219 1 116 334 ARG . 15219 1 117 335 ASN . 15219 1 118 336 SER . 15219 1 119 337 ALA . 15219 1 120 338 HIS . 15219 1 121 339 SER . 15219 1 122 340 ALA . 15219 1 123 341 GLY . 15219 1 124 342 VAL . 15219 1 125 343 GLY . 15219 1 126 344 ALA . 15219 1 127 345 ILE . 15219 1 128 346 PHE . 15219 1 129 347 ASP . 15219 1 130 348 ARG . 15219 1 131 349 VAL . 15219 1 132 350 LEU . 15219 1 133 351 THR . 15219 1 134 352 GLU . 15219 1 135 353 LEU . 15219 1 136 354 VAL . 15219 1 137 355 SER . 15219 1 138 356 LYS . 15219 1 139 357 MET . 15219 1 140 358 ARG . 15219 1 141 359 ASP . 15219 1 142 360 MET . 15219 1 143 361 GLN . 15219 1 144 362 MET . 15219 1 145 363 ASP . 15219 1 146 364 LYS . 15219 1 147 365 THR . 15219 1 148 366 GLU . 15219 1 149 367 LEU . 15219 1 150 368 GLY . 15219 1 151 369 CYS . 15219 1 152 370 LEU . 15219 1 153 371 ARG . 15219 1 154 372 ALA . 15219 1 155 373 ILE . 15219 1 156 374 VAL . 15219 1 157 375 LEU . 15219 1 158 376 PHE . 15219 1 159 377 ASN . 15219 1 160 378 PRO . 15219 1 161 379 ASP . 15219 1 162 380 SER . 15219 1 163 381 LYS . 15219 1 164 382 GLY . 15219 1 165 383 LEU . 15219 1 166 384 SER . 15219 1 167 385 ASN . 15219 1 168 386 PRO . 15219 1 169 387 ALA . 15219 1 170 388 GLU . 15219 1 171 389 VAL . 15219 1 172 390 GLU . 15219 1 173 391 ALA . 15219 1 174 392 LEU . 15219 1 175 393 ARG . 15219 1 176 394 GLU . 15219 1 177 395 LYS . 15219 1 178 396 VAL . 15219 1 179 397 TYR . 15219 1 180 398 ALA . 15219 1 181 399 SER . 15219 1 182 400 LEU . 15219 1 183 401 GLU . 15219 1 184 402 ALA . 15219 1 185 403 TYR . 15219 1 186 404 CYS . 15219 1 187 405 LYS . 15219 1 188 406 HIS . 15219 1 189 407 LYS . 15219 1 190 408 TYR . 15219 1 191 409 PRO . 15219 1 192 410 GLU . 15219 1 193 411 GLN . 15219 1 194 412 PRO . 15219 1 195 413 GLY . 15219 1 196 414 ARG . 15219 1 197 415 PHE . 15219 1 198 416 ALA . 15219 1 199 417 LYS . 15219 1 200 418 LEU . 15219 1 201 419 LEU . 15219 1 202 420 LEU . 15219 1 203 421 ARG . 15219 1 204 422 LEU . 15219 1 205 423 PRO . 15219 1 206 424 ALA . 15219 1 207 425 LEU . 15219 1 208 426 ARG . 15219 1 209 427 SER . 15219 1 210 428 ILE . 15219 1 211 429 GLY . 15219 1 212 430 LEU . 15219 1 213 431 LYS . 15219 1 214 432 CYS . 15219 1 215 433 LEU . 15219 1 216 434 GLU . 15219 1 217 435 HIS . 15219 1 218 436 LEU . 15219 1 219 437 PHE . 15219 1 220 438 PHE . 15219 1 221 439 PHE . 15219 1 222 440 LYS . 15219 1 223 441 LEU . 15219 1 224 442 ILE . 15219 1 225 443 GLY . 15219 1 226 444 ASP . 15219 1 227 445 THR . 15219 1 228 446 PRO . 15219 1 229 447 ILE . 15219 1 230 448 ASP . 15219 1 231 449 THR . 15219 1 232 450 PHE . 15219 1 233 451 LEU . 15219 1 234 452 MET . 15219 1 235 453 GLU . 15219 1 236 454 MET . 15219 1 237 455 LEU . 15219 1 238 456 GLU . 15219 1 239 457 ALA . 15219 1 240 458 PRO . 15219 1 241 459 HIS . 15219 1 242 460 GLN . 15219 1 243 461 MET . 15219 1 244 462 THR . 15219 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 15219 1 . SER 2 2 15219 1 . HIS 3 3 15219 1 . MET 4 4 15219 1 . THR 5 5 15219 1 . SER 6 6 15219 1 . SER 7 7 15219 1 . ALA 8 8 15219 1 . ASN 9 9 15219 1 . GLU 10 10 15219 1 . ASP 11 11 15219 1 . MET 12 12 15219 1 . PRO 13 13 15219 1 . VAL 14 14 15219 1 . GLU 15 15 15219 1 . ARG 16 16 15219 1 . ILE 17 17 15219 1 . LEU 18 18 15219 1 . GLU 19 19 15219 1 . ALA 20 20 15219 1 . GLU 21 21 15219 1 . LEU 22 22 15219 1 . ALA 23 23 15219 1 . VAL 24 24 15219 1 . GLU 25 25 15219 1 . PRO 26 26 15219 1 . LYS 27 27 15219 1 . THR 28 28 15219 1 . GLU 29 29 15219 1 . THR 30 30 15219 1 . TYR 31 31 15219 1 . VAL 32 32 15219 1 . GLU 33 33 15219 1 . ALA 34 34 15219 1 . ASN 35 35 15219 1 . MET 36 36 15219 1 . GLY 37 37 15219 1 . LEU 38 38 15219 1 . ASN 39 39 15219 1 . PRO 40 40 15219 1 . SER 41 41 15219 1 . SER 42 42 15219 1 . PRO 43 43 15219 1 . ASN 44 44 15219 1 . ASP 45 45 15219 1 . PRO 46 46 15219 1 . VAL 47 47 15219 1 . THR 48 48 15219 1 . ASN 49 49 15219 1 . ILE 50 50 15219 1 . CYS 51 51 15219 1 . GLN 52 52 15219 1 . ALA 53 53 15219 1 . ALA 54 54 15219 1 . ASP 55 55 15219 1 . LYS 56 56 15219 1 . GLN 57 57 15219 1 . LEU 58 58 15219 1 . PHE 59 59 15219 1 . THR 60 60 15219 1 . LEU 61 61 15219 1 . VAL 62 62 15219 1 . GLU 63 63 15219 1 . TRP 64 64 15219 1 . ALA 65 65 15219 1 . LYS 66 66 15219 1 . ARG 67 67 15219 1 . ILE 68 68 15219 1 . PRO 69 69 15219 1 . HIS 70 70 15219 1 . PHE 71 71 15219 1 . SER 72 72 15219 1 . GLU 73 73 15219 1 . LEU 74 74 15219 1 . PRO 75 75 15219 1 . LEU 76 76 15219 1 . ASP 77 77 15219 1 . ASP 78 78 15219 1 . GLN 79 79 15219 1 . VAL 80 80 15219 1 . ILE 81 81 15219 1 . LEU 82 82 15219 1 . LEU 83 83 15219 1 . ARG 84 84 15219 1 . ALA 85 85 15219 1 . GLY 86 86 15219 1 . TRP 87 87 15219 1 . ASN 88 88 15219 1 . GLU 89 89 15219 1 . LEU 90 90 15219 1 . LEU 91 91 15219 1 . ILE 92 92 15219 1 . ALA 93 93 15219 1 . SER 94 94 15219 1 . PHE 95 95 15219 1 . SER 96 96 15219 1 . HIS 97 97 15219 1 . ARG 98 98 15219 1 . SER 99 99 15219 1 . ILE 100 100 15219 1 . ALA 101 101 15219 1 . VAL 102 102 15219 1 . LYS 103 103 15219 1 . ASP 104 104 15219 1 . GLY 105 105 15219 1 . ILE 106 106 15219 1 . LEU 107 107 15219 1 . LEU 108 108 15219 1 . ALA 109 109 15219 1 . THR 110 110 15219 1 . GLY 111 111 15219 1 . LEU 112 112 15219 1 . HIS 113 113 15219 1 . VAL 114 114 15219 1 . HIS 115 115 15219 1 . ARG 116 116 15219 1 . ASN 117 117 15219 1 . SER 118 118 15219 1 . ALA 119 119 15219 1 . HIS 120 120 15219 1 . SER 121 121 15219 1 . ALA 122 122 15219 1 . GLY 123 123 15219 1 . VAL 124 124 15219 1 . GLY 125 125 15219 1 . ALA 126 126 15219 1 . ILE 127 127 15219 1 . PHE 128 128 15219 1 . ASP 129 129 15219 1 . ARG 130 130 15219 1 . VAL 131 131 15219 1 . LEU 132 132 15219 1 . THR 133 133 15219 1 . GLU 134 134 15219 1 . LEU 135 135 15219 1 . VAL 136 136 15219 1 . SER 137 137 15219 1 . LYS 138 138 15219 1 . MET 139 139 15219 1 . ARG 140 140 15219 1 . ASP 141 141 15219 1 . MET 142 142 15219 1 . GLN 143 143 15219 1 . MET 144 144 15219 1 . ASP 145 145 15219 1 . LYS 146 146 15219 1 . THR 147 147 15219 1 . GLU 148 148 15219 1 . LEU 149 149 15219 1 . GLY 150 150 15219 1 . CYS 151 151 15219 1 . LEU 152 152 15219 1 . ARG 153 153 15219 1 . ALA 154 154 15219 1 . ILE 155 155 15219 1 . VAL 156 156 15219 1 . LEU 157 157 15219 1 . PHE 158 158 15219 1 . ASN 159 159 15219 1 . PRO 160 160 15219 1 . ASP 161 161 15219 1 . SER 162 162 15219 1 . LYS 163 163 15219 1 . GLY 164 164 15219 1 . LEU 165 165 15219 1 . SER 166 166 15219 1 . ASN 167 167 15219 1 . PRO 168 168 15219 1 . ALA 169 169 15219 1 . GLU 170 170 15219 1 . VAL 171 171 15219 1 . GLU 172 172 15219 1 . ALA 173 173 15219 1 . LEU 174 174 15219 1 . ARG 175 175 15219 1 . GLU 176 176 15219 1 . LYS 177 177 15219 1 . VAL 178 178 15219 1 . TYR 179 179 15219 1 . ALA 180 180 15219 1 . SER 181 181 15219 1 . LEU 182 182 15219 1 . GLU 183 183 15219 1 . ALA 184 184 15219 1 . TYR 185 185 15219 1 . CYS 186 186 15219 1 . LYS 187 187 15219 1 . HIS 188 188 15219 1 . LYS 189 189 15219 1 . TYR 190 190 15219 1 . PRO 191 191 15219 1 . GLU 192 192 15219 1 . GLN 193 193 15219 1 . PRO 194 194 15219 1 . GLY 195 195 15219 1 . ARG 196 196 15219 1 . PHE 197 197 15219 1 . ALA 198 198 15219 1 . LYS 199 199 15219 1 . LEU 200 200 15219 1 . LEU 201 201 15219 1 . LEU 202 202 15219 1 . ARG 203 203 15219 1 . LEU 204 204 15219 1 . PRO 205 205 15219 1 . ALA 206 206 15219 1 . LEU 207 207 15219 1 . ARG 208 208 15219 1 . SER 209 209 15219 1 . ILE 210 210 15219 1 . GLY 211 211 15219 1 . LEU 212 212 15219 1 . LYS 213 213 15219 1 . CYS 214 214 15219 1 . LEU 215 215 15219 1 . GLU 216 216 15219 1 . HIS 217 217 15219 1 . LEU 218 218 15219 1 . PHE 219 219 15219 1 . PHE 220 220 15219 1 . PHE 221 221 15219 1 . LYS 222 222 15219 1 . LEU 223 223 15219 1 . ILE 224 224 15219 1 . GLY 225 225 15219 1 . ASP 226 226 15219 1 . THR 227 227 15219 1 . PRO 228 228 15219 1 . ILE 229 229 15219 1 . ASP 230 230 15219 1 . THR 231 231 15219 1 . PHE 232 232 15219 1 . LEU 233 233 15219 1 . MET 234 234 15219 1 . GLU 235 235 15219 1 . MET 236 236 15219 1 . LEU 237 237 15219 1 . GLU 238 238 15219 1 . ALA 239 239 15219 1 . PRO 240 240 15219 1 . HIS 241 241 15219 1 . GLN 242 242 15219 1 . MET 243 243 15219 1 . THR 244 244 15219 1 stop_ save_ save_GRIP1_NR_Box_2 _Entity.Sf_category entity _Entity.Sf_framecode GRIP1_NR_Box_2 _Entity.Entry_ID 15219 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GRIP1_NR_Box_2 _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 KHKILHRLLQDSS _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Glucocorticoid receptor interacting protein-1 nuclear receptor box-2 peptide' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1574.8 _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 . LYS . 15219 2 2 . HIS . 15219 2 3 . LYS . 15219 2 4 . ILE . 15219 2 5 . LEU . 15219 2 6 . HIS . 15219 2 7 . ARG . 15219 2 8 . LEU . 15219 2 9 . LEU . 15219 2 10 . GLN . 15219 2 11 . ASP . 15219 2 12 . SER . 15219 2 13 . SER . 15219 2 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 . LYS 1 1 15219 2 . HIS 2 2 15219 2 . LYS 3 3 15219 2 . ILE 4 4 15219 2 . LEU 5 5 15219 2 . HIS 6 6 15219 2 . ARG 7 7 15219 2 . LEU 8 8 15219 2 . LEU 9 9 15219 2 . GLN 10 10 15219 2 . ASP 11 11 15219 2 . SER 12 12 15219 2 . SER 13 13 15219 2 stop_ save_ save_REA _Entity.Sf_category entity _Entity.Sf_framecode REA _Entity.Entry_ID 15219 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name REA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID REA _Entity.Nonpolymer_comp_label $chem_comp_REA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . REA . 15219 3 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 15219 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RXRalpha_LBD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15219 1 2 2 $GRIP1_NR_Box_2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15219 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 15219 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RXRalpha_LBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET15b . . . . . . 15219 1 2 2 $GRIP1_NR_Box_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15219 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_REA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_REA _Chem_comp.Entry_ID 15219 _Chem_comp.ID REA _Chem_comp.Provenance . _Chem_comp.Name 'RETINOIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code REA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C20 H28 O2' _Chem_comp.Formula_weight 300.435 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Dec 20 05:01:57 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15219 REA CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C SMILES OpenEye/OEToolkits 1.4.2 15219 REA CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(O)=O)C(C)(C)CCC1 SMILES CACTVS 2.87 15219 REA CC1=C(C=CC(C)=CC=CC(C)=CC(O)=O)C(C)(C)CCC1 SMILES_CANONICAL CACTVS 2.87 15219 REA InChI=1/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ INCHI InChi 1 15219 REA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15219 REA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C10 . C10 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C11 . C11 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C12 . C12 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C13 . C13 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C14 . C14 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C15 . C15 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C16 . C16 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C17 . C17 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C18 . C18 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C19 . C19 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C2 . C2 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C20 . C20 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C3 . C3 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C4 . C4 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C5 . C5 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C6 . C6 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C7 . C7 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C8 . C8 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA C9 . C9 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H10 . H10 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H11 . H11 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H12 . H12 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H14 . H14 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H161 . H161 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H162 . H162 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H163 . H163 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H171 . H171 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H172 . H172 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H173 . H173 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H181 . H181 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H182 . H182 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H183 . H183 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H191 . H191 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H192 . H192 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H193 . H193 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H201 . H201 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H202 . H202 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H203 . H203 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H21 . H21 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H22 . H22 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H31 . H31 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H32 . H32 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H41 . H41 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H42 . H42 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H7 . H7 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA H8 . H8 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA HO2 . HO2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA O1 . O1 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA O2 . O2 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15219 REA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 . . . . 15219 REA 2 . SING C1 C6 . . . . 15219 REA 3 . SING C1 C16 . . . . 15219 REA 4 . SING C1 C17 . . . . 15219 REA 5 . SING C2 C3 . . . . 15219 REA 6 . SING C2 H21 . . . . 15219 REA 7 . SING C2 H22 . . . . 15219 REA 8 . SING C3 C4 . . . . 15219 REA 9 . SING C3 H31 . . . . 15219 REA 10 . SING C3 H32 . . . . 15219 REA 11 . SING C4 C5 . . . . 15219 REA 12 . SING C4 H41 . . . . 15219 REA 13 . SING C4 H42 . . . . 15219 REA 14 . DOUB C5 C6 . . . . 15219 REA 15 . SING C5 C18 . . . . 15219 REA 16 . SING C6 C7 . . . . 15219 REA 17 . DOUB C7 C8 . . . . 15219 REA 18 . SING C7 H7 . . . . 15219 REA 19 . SING C8 C9 . . . . 15219 REA 20 . SING C8 H8 . . . . 15219 REA 21 . DOUB C9 C10 . . . . 15219 REA 22 . SING C9 C19 . . . . 15219 REA 23 . SING C10 C11 . . . . 15219 REA 24 . SING C10 H10 . . . . 15219 REA 25 . DOUB C11 C12 . . . . 15219 REA 26 . SING C11 H11 . . . . 15219 REA 27 . SING C12 C13 . . . . 15219 REA 28 . SING C12 H12 . . . . 15219 REA 29 . DOUB C13 C14 . . . . 15219 REA 30 . SING C13 C20 . . . . 15219 REA 31 . SING C14 C15 . . . . 15219 REA 32 . SING C14 H14 . . . . 15219 REA 33 . DOUB C15 O1 . . . . 15219 REA 34 . SING C15 O2 . . . . 15219 REA 35 . SING C16 H161 . . . . 15219 REA 36 . SING C16 H162 . . . . 15219 REA 37 . SING C16 H163 . . . . 15219 REA 38 . SING C17 H171 . . . . 15219 REA 39 . SING C17 H172 . . . . 15219 REA 40 . SING C17 H173 . . . . 15219 REA 41 . SING C18 H181 . . . . 15219 REA 42 . SING C18 H182 . . . . 15219 REA 43 . SING C18 H183 . . . . 15219 REA 44 . SING C19 H191 . . . . 15219 REA 45 . SING C19 H192 . . . . 15219 REA 46 . SING C19 H193 . . . . 15219 REA 47 . SING C20 H201 . . . . 15219 REA 48 . SING C20 H202 . . . . 15219 REA 49 . SING C20 H203 . . . . 15219 REA 50 . SING O2 HO2 . . . . 15219 REA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15219 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RXRalpha LBD' '[U-13C; U-15N; U-2H]' . . 1 $RXRalpha_LBD . . 1.0 . . mM . . . . 15219 1 2 '9-cis-retinoic acid' 'natural abundance' . . 3 $REA . . 1.0 . . mM . . . . 15219 1 3 'GRIP1 NR Box 2' 'natural abundance' . . 2 $GRIP1_NR_Box_2 . . 1.0 . . mM . . . . 15219 1 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15219 1 5 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15219 1 6 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15219 1 7 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 15219 1 8 beta-mercaptoethanol 'natural abundance' . . . . . . 8 . . mM . . . . 15219 1 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15219 1 10 H2O 'natural abundance' . . . . . . 95 . . mM . . . . 15219 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 15219 _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' 0.21 . M 15219 1 pH 7.4 . pH 15219 1 pressure 1 . atm 15219 1 temperature 298 . K 15219 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15219 _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' . . 15219 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15219 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15219 _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' . . 15219 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15219 2 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 15219 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'triple resonance probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15219 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'triple resonance probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15219 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15219 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'triple resonance probe' . . 15219 1 2 spectrometer_2 Varian INOVA . 700 'triple resonance probe' . . 15219 1 3 spectrometer_3 Varian INOVA . 500 cryoprobe . . 15219 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 15219 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '4D TROSY-HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15219 1 2 '4D TROSY-HNCOi-1CAi' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15219 1 3 '4D TROSY-HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15219 1 4 '4D 15N,15N-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15219 1 5 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15219 1 6 '3D TROSY-HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15219 1 7 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15219 1 8 '3D TROSY-HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15219 1 9 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15219 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15219 _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 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15219 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15219 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15219 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 15219 _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 '4D TROSY-HNCOCA' . . . 15219 1 5 '3D TROSY-HNCO' . . . 15219 1 7 '3D TROSY-HNCACB' . . . 15219 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 7 7 SER C C 13 174.8 0.1 . 1 . . . . 225 SER CO . 15219 1 2 . 1 1 7 7 SER CA C 13 58.1 0.2 . 1 . . . . 225 SER CA . 15219 1 3 . 1 1 7 7 SER CB C 13 63.2 0.2 . 1 . . . . 225 SER CB . 15219 1 4 . 1 1 8 8 ALA H H 1 8.30 0.01 . 1 . . . . 226 ALA HN . 15219 1 5 . 1 1 8 8 ALA C C 13 178.2 0.1 . 1 . . . . 226 ALA CO . 15219 1 6 . 1 1 8 8 ALA CA C 13 53.0 0.2 . 1 . . . . 226 ALA CA . 15219 1 7 . 1 1 8 8 ALA CB C 13 18.1 0.2 . 1 . . . . 226 ALA CB . 15219 1 8 . 1 1 8 8 ALA N N 15 126.1 0.1 . 1 . . . . 226 ALA N . 15219 1 9 . 1 1 9 9 ASN H H 1 8.25 0.01 . 1 . . . . 227 ASN HN . 15219 1 10 . 1 1 9 9 ASN C C 13 175.9 0.1 . 1 . . . . 227 ASN CO . 15219 1 11 . 1 1 9 9 ASN CA C 13 54.0 0.2 . 1 . . . . 227 ASN CA . 15219 1 12 . 1 1 9 9 ASN CB C 13 38.7 0.2 . 1 . . . . 227 ASN CB . 15219 1 13 . 1 1 9 9 ASN N N 15 117.1 0.1 . 1 . . . . 227 ASN N . 15219 1 14 . 1 1 10 10 GLU H H 1 7.99 0.01 . 1 . . . . 228 GLU HN . 15219 1 15 . 1 1 10 10 GLU C C 13 176.8 0.1 . 1 . . . . 228 GLU CO . 15219 1 16 . 1 1 10 10 GLU CA C 13 56.8 0.2 . 1 . . . . 228 GLU CA . 15219 1 17 . 1 1 10 10 GLU CB C 13 29.3 0.2 . 1 . . . . 228 GLU CB . 15219 1 18 . 1 1 10 10 GLU N N 15 119.4 0.1 . 1 . . . . 228 GLU N . 15219 1 19 . 1 1 11 11 ASP H H 1 8.01 0.01 . 1 . . . . 229 ASP HN . 15219 1 20 . 1 1 11 11 ASP C C 13 176.0 0.1 . 1 . . . . 229 ASP CO . 15219 1 21 . 1 1 11 11 ASP CA C 13 54.8 0.2 . 1 . . . . 229 ASP CA . 15219 1 22 . 1 1 11 11 ASP CB C 13 40.9 0.2 . 1 . . . . 229 ASP CB . 15219 1 23 . 1 1 11 11 ASP N N 15 119.6 0.1 . 1 . . . . 229 ASP N . 15219 1 24 . 1 1 12 12 MET H H 1 8.11 0.01 . 1 . . . . 230 MET HN . 15219 1 25 . 1 1 12 12 MET C C 13 180.8 0.1 . 1 . . . . 230 MET CO . 15219 1 26 . 1 1 12 12 MET CA C 13 51.4 0.2 . 1 . . . . 230 MET CA . 15219 1 27 . 1 1 12 12 MET CB C 13 30.7 0.2 . 1 . . . . 230 MET CB . 15219 1 28 . 1 1 12 12 MET N N 15 119.3 0.1 . 1 . . . . 230 MET N . 15219 1 29 . 1 1 13 13 PRO C C 13 180.3 0.1 . 1 . . . . 231 PRO CO . 15219 1 30 . 1 1 13 13 PRO CA C 13 62.1 0.2 . 1 . . . . 231 PRO CA . 15219 1 31 . 1 1 13 13 PRO CB C 13 31.2 0.2 . 1 . . . . 231 PRO CB . 15219 1 32 . 1 1 14 14 VAL H H 1 9.15 0.01 . 1 . . . . 232 VAL HN . 15219 1 33 . 1 1 14 14 VAL C C 13 178.2 0.1 . 1 . . . . 232 VAL CO . 15219 1 34 . 1 1 14 14 VAL CA C 13 64.8 0.2 . 1 . . . . 232 VAL CA . 15219 1 35 . 1 1 14 14 VAL CB C 13 30.1 0.2 . 1 . . . . 232 VAL CB . 15219 1 36 . 1 1 14 14 VAL N N 15 122.7 0.1 . 1 . . . . 232 VAL N . 15219 1 37 . 1 1 15 15 GLU H H 1 9.68 0.01 . 1 . . . . 233 GLU HN . 15219 1 38 . 1 1 15 15 GLU C C 13 179.9 0.1 . 1 . . . . 233 GLU CO . 15219 1 39 . 1 1 15 15 GLU CA C 13 59.9 0.2 . 1 . . . . 233 GLU CA . 15219 1 40 . 1 1 15 15 GLU CB C 13 28.0 0.2 . 1 . . . . 233 GLU CB . 15219 1 41 . 1 1 15 15 GLU N N 15 121.4 0.1 . 1 . . . . 233 GLU N . 15219 1 42 . 1 1 16 16 ARG H H 1 7.19 0.01 . 1 . . . . 234 ARG HN . 15219 1 43 . 1 1 16 16 ARG C C 13 179.1 0.1 . 1 . . . . 234 ARG CO . 15219 1 44 . 1 1 16 16 ARG CA C 13 57.0 0.2 . 1 . . . . 234 ARG CA . 15219 1 45 . 1 1 16 16 ARG CB C 13 31.3 0.2 . 1 . . . . 234 ARG CB . 15219 1 46 . 1 1 16 16 ARG N N 15 116.6 0.1 . 1 . . . . 234 ARG N . 15219 1 47 . 1 1 17 17 ILE H H 1 7.13 0.01 . 1 . . . . 235 ILE HN . 15219 1 48 . 1 1 17 17 ILE C C 13 177.4 0.1 . 1 . . . . 235 ILE CO . 15219 1 49 . 1 1 17 17 ILE CA C 13 64.9 0.2 . 1 . . . . 235 ILE CA . 15219 1 50 . 1 1 17 17 ILE CB C 13 36.5 0.2 . 1 . . . . 235 ILE CB . 15219 1 51 . 1 1 17 17 ILE N N 15 123.2 0.1 . 1 . . . . 235 ILE N . 15219 1 52 . 1 1 18 18 LEU H H 1 8.29 0.01 . 1 . . . . 236 LEU HN . 15219 1 53 . 1 1 18 18 LEU C C 13 178.4 0.1 . 1 . . . . 236 LEU CO . 15219 1 54 . 1 1 18 18 LEU CA C 13 57.7 0.2 . 1 . . . . 236 LEU CA . 15219 1 55 . 1 1 18 18 LEU CB C 13 39.3 0.2 . 1 . . . . 236 LEU CB . 15219 1 56 . 1 1 18 18 LEU N N 15 121.2 0.1 . 1 . . . . 236 LEU N . 15219 1 57 . 1 1 19 19 GLU H H 1 7.76 0.01 . 1 . . . . 237 GLU HN . 15219 1 58 . 1 1 19 19 GLU C C 13 179.1 0.1 . 1 . . . . 237 GLU CO . 15219 1 59 . 1 1 19 19 GLU CA C 13 59.1 0.2 . 1 . . . . 237 GLU CA . 15219 1 60 . 1 1 19 19 GLU CB C 13 29.1 0.2 . 1 . . . . 237 GLU CB . 15219 1 61 . 1 1 19 19 GLU N N 15 116.9 0.1 . 1 . . . . 237 GLU N . 15219 1 62 . 1 1 20 20 ALA H H 1 7.45 0.01 . 1 . . . . 238 ALA HN . 15219 1 63 . 1 1 20 20 ALA C C 13 179.0 0.1 . 1 . . . . 238 ALA CO . 15219 1 64 . 1 1 20 20 ALA CA C 13 55.3 0.2 . 1 . . . . 238 ALA CA . 15219 1 65 . 1 1 20 20 ALA CB C 13 17.3 0.2 . 1 . . . . 238 ALA CB . 15219 1 66 . 1 1 20 20 ALA N N 15 122.5 0.1 . 1 . . . . 238 ALA N . 15219 1 67 . 1 1 21 21 GLU H H 1 7.66 0.01 . 1 . . . . 239 GLU HN . 15219 1 68 . 1 1 21 21 GLU C C 13 180.4 0.1 . 1 . . . . 239 GLU CO . 15219 1 69 . 1 1 21 21 GLU CA C 13 58.5 0.2 . 1 . . . . 239 GLU CA . 15219 1 70 . 1 1 21 21 GLU CB C 13 29.6 0.2 . 1 . . . . 239 GLU CB . 15219 1 71 . 1 1 21 21 GLU N N 15 116.0 0.1 . 1 . . . . 239 GLU N . 15219 1 72 . 1 1 22 22 LEU H H 1 8.54 0.01 . 1 . . . . 240 LEU HN . 15219 1 73 . 1 1 22 22 LEU C C 13 180.0 0.1 . 1 . . . . 240 LEU CO . 15219 1 74 . 1 1 22 22 LEU CA C 13 56.8 0.2 . 1 . . . . 240 LEU CA . 15219 1 75 . 1 1 22 22 LEU CB C 13 40.3 0.2 . 1 . . . . 240 LEU CB . 15219 1 76 . 1 1 22 22 LEU N N 15 117.7 0.1 . 1 . . . . 240 LEU N . 15219 1 77 . 1 1 23 23 ALA H H 1 8.10 0.01 . 1 . . . . 241 ALA HN . 15219 1 78 . 1 1 23 23 ALA C C 13 179.5 0.1 . 1 . . . . 241 ALA CO . 15219 1 79 . 1 1 23 23 ALA CA C 13 54.2 0.2 . 1 . . . . 241 ALA CA . 15219 1 80 . 1 1 23 23 ALA CB C 13 17.6 0.2 . 1 . . . . 241 ALA CB . 15219 1 81 . 1 1 23 23 ALA N N 15 120.9 0.1 . 1 . . . . 241 ALA N . 15219 1 82 . 1 1 24 24 VAL H H 1 6.99 0.01 . 1 . . . . 242 VAL HN . 15219 1 83 . 1 1 24 24 VAL C C 13 176.3 0.1 . 1 . . . . 242 VAL CO . 15219 1 84 . 1 1 24 24 VAL CA C 13 60.2 0.2 . 1 . . . . 242 VAL CA . 15219 1 85 . 1 1 24 24 VAL CB C 13 30.8 0.2 . 1 . . . . 242 VAL CB . 15219 1 86 . 1 1 24 24 VAL N N 15 106.3 0.1 . 1 . . . . 242 VAL N . 15219 1 87 . 1 1 25 25 GLU H H 1 7.18 0.01 . 1 . . . . 243 GLU HN . 15219 1 88 . 1 1 25 25 GLU C C 13 174.4 0.1 . 1 . . . . 243 GLU CO . 15219 1 89 . 1 1 25 25 GLU CA C 13 54.5 0.2 . 1 . . . . 243 GLU CA . 15219 1 90 . 1 1 25 25 GLU CB C 13 29.1 0.2 . 1 . . . . 243 GLU CB . 15219 1 91 . 1 1 25 25 GLU N N 15 126.1 0.1 . 1 . . . . 243 GLU N . 15219 1 92 . 1 1 26 26 PRO C C 13 176.9 0.1 . 1 . . . . 244 PRO CO . 15219 1 93 . 1 1 26 26 PRO CA C 13 62.6 0.2 . 1 . . . . 244 PRO CA . 15219 1 94 . 1 1 26 26 PRO CB C 13 31.4 0.2 . 1 . . . . 244 PRO CB . 15219 1 95 . 1 1 27 27 LYS H H 1 8.47 0.01 . 1 . . . . 245 LYS HN . 15219 1 96 . 1 1 27 27 LYS C C 13 176.9 0.1 . 1 . . . . 245 LYS CO . 15219 1 97 . 1 1 27 27 LYS CA C 13 55.4 0.2 . 1 . . . . 245 LYS CA . 15219 1 98 . 1 1 27 27 LYS CB C 13 31.5 0.2 . 1 . . . . 245 LYS CB . 15219 1 99 . 1 1 27 27 LYS N N 15 122.7 0.1 . 1 . . . . 245 LYS N . 15219 1 100 . 1 1 28 28 THR H H 1 8.01 0.01 . 1 . . . . 246 THR HN . 15219 1 101 . 1 1 28 28 THR C C 13 174.6 0.1 . 1 . . . . 246 THR CO . 15219 1 102 . 1 1 28 28 THR CA C 13 61.7 0.2 . 1 . . . . 246 THR CA . 15219 1 103 . 1 1 28 28 THR CB C 13 69.2 0.2 . 1 . . . . 246 THR CB . 15219 1 104 . 1 1 28 28 THR N N 15 117.0 0.1 . 1 . . . . 246 THR N . 15219 1 105 . 1 1 29 29 GLU H H 1 8.60 0.01 . 1 . . . . 247 GLU HN . 15219 1 106 . 1 1 29 29 GLU C C 13 176.5 0.1 . 1 . . . . 247 GLU CO . 15219 1 107 . 1 1 29 29 GLU CA C 13 56.6 0.2 . 1 . . . . 247 GLU CA . 15219 1 108 . 1 1 29 29 GLU CB C 13 29.4 0.2 . 1 . . . . 247 GLU CB . 15219 1 109 . 1 1 29 29 GLU N N 15 124.1 0.1 . 1 . . . . 247 GLU N . 15219 1 110 . 1 1 30 30 THR H H 1 7.92 0.01 . 1 . . . . 248 THR HN . 15219 1 111 . 1 1 30 30 THR C C 13 174.1 0.1 . 1 . . . . 248 THR CO . 15219 1 112 . 1 1 30 30 THR CA C 13 61.6 0.2 . 1 . . . . 248 THR CA . 15219 1 113 . 1 1 30 30 THR CB C 13 69.4 0.2 . 1 . . . . 248 THR CB . 15219 1 114 . 1 1 30 30 THR N N 15 115.2 0.1 . 1 . . . . 248 THR N . 15219 1 115 . 1 1 31 31 TYR H H 1 8.13 0.01 . 1 . . . . 249 TYR HN . 15219 1 116 . 1 1 31 31 TYR C C 13 175.6 0.1 . 1 . . . . 249 TYR CO . 15219 1 117 . 1 1 31 31 TYR CA C 13 57.4 0.2 . 1 . . . . 249 TYR CA . 15219 1 118 . 1 1 31 31 TYR CB C 13 38.1 0.2 . 1 . . . . 249 TYR CB . 15219 1 119 . 1 1 31 31 TYR N N 15 123.8 0.1 . 1 . . . . 249 TYR N . 15219 1 120 . 1 1 32 32 VAL H H 1 7.89 0.01 . 1 . . . . 250 VAL HN . 15219 1 121 . 1 1 32 32 VAL C C 13 175.9 0.1 . 1 . . . . 250 VAL CO . 15219 1 122 . 1 1 32 32 VAL CA C 13 61.6 0.2 . 1 . . . . 250 VAL CA . 15219 1 123 . 1 1 32 32 VAL CB C 13 32.3 0.2 . 1 . . . . 250 VAL CB . 15219 1 124 . 1 1 32 32 VAL N N 15 122.8 0.1 . 1 . . . . 250 VAL N . 15219 1 125 . 1 1 33 33 GLU H H 1 8.31 0.01 . 1 . . . . 251 GLU HN . 15219 1 126 . 1 1 33 33 GLU C C 13 176.8 0.1 . 1 . . . . 251 GLU CO . 15219 1 127 . 1 1 33 33 GLU CA C 13 56.6 0.2 . 1 . . . . 251 GLU CA . 15219 1 128 . 1 1 33 33 GLU CB C 13 29.3 0.2 . 1 . . . . 251 GLU CB . 15219 1 129 . 1 1 33 33 GLU N N 15 124.7 0.1 . 1 . . . . 251 GLU N . 15219 1 130 . 1 1 34 34 ALA H H 1 8.23 0.01 . 1 . . . . 252 ALA HN . 15219 1 131 . 1 1 34 34 ALA C C 13 177.7 0.1 . 1 . . . . 252 ALA CO . 15219 1 132 . 1 1 34 34 ALA CA C 13 52.6 0.2 . 1 . . . . 252 ALA CA . 15219 1 133 . 1 1 34 34 ALA CB C 13 18.3 0.2 . 1 . . . . 252 ALA CB . 15219 1 134 . 1 1 34 34 ALA N N 15 125.0 0.1 . 1 . . . . 252 ALA N . 15219 1 135 . 1 1 35 35 ASN H H 1 8.27 0.01 . 1 . . . . 253 ASN HN . 15219 1 136 . 1 1 35 35 ASN C C 13 175.5 0.1 . 1 . . . . 253 ASN CO . 15219 1 137 . 1 1 35 35 ASN CA C 13 53.0 0.2 . 1 . . . . 253 ASN CA . 15219 1 138 . 1 1 35 35 ASN CB C 13 38.1 0.2 . 1 . . . . 253 ASN CB . 15219 1 139 . 1 1 35 35 ASN N N 15 117.4 0.1 . 1 . . . . 253 ASN N . 15219 1 140 . 1 1 36 36 MET H H 1 8.17 0.01 . 1 . . . . 254 MET HN . 15219 1 141 . 1 1 36 36 MET C C 13 176.8 0.1 . 1 . . . . 254 MET CO . 15219 1 142 . 1 1 36 36 MET CA C 13 55.6 0.2 . 1 . . . . 254 MET CA . 15219 1 143 . 1 1 36 36 MET CB C 13 31.8 0.2 . 1 . . . . 254 MET CB . 15219 1 144 . 1 1 36 36 MET N N 15 120.8 0.1 . 1 . . . . 254 MET N . 15219 1 145 . 1 1 37 37 GLY H H 1 8.25 0.01 . 1 . . . . 255 GLY HN . 15219 1 146 . 1 1 37 37 GLY C C 13 173.8 0.1 . 1 . . . . 255 GLY CO . 15219 1 147 . 1 1 37 37 GLY CA C 13 44.9 0.2 . 1 . . . . 255 GLY CA . 15219 1 148 . 1 1 37 37 GLY N N 15 109.6 0.1 . 1 . . . . 255 GLY N . 15219 1 149 . 1 1 38 38 LEU H H 1 7.76 0.01 . 1 . . . . 256 LEU HN . 15219 1 150 . 1 1 38 38 LEU C C 13 176.1 0.1 . 1 . . . . 256 LEU CO . 15219 1 151 . 1 1 38 38 LEU CA C 13 54.3 0.2 . 1 . . . . 256 LEU CA . 15219 1 152 . 1 1 38 38 LEU CB C 13 41.6 0.2 . 1 . . . . 256 LEU CB . 15219 1 153 . 1 1 38 38 LEU N N 15 121.9 0.1 . 1 . . . . 256 LEU N . 15219 1 154 . 1 1 39 39 ASN H H 1 8.06 0.01 . 1 . . . . 257 ASN HN . 15219 1 155 . 1 1 39 39 ASN C C 13 173.3 0.1 . 1 . . . . 257 ASN CO . 15219 1 156 . 1 1 39 39 ASN CA C 13 50.5 0.2 . 1 . . . . 257 ASN CA . 15219 1 157 . 1 1 39 39 ASN CB C 13 40.0 0.2 . 1 . . . . 257 ASN CB . 15219 1 158 . 1 1 39 39 ASN N N 15 119.6 0.1 . 1 . . . . 257 ASN N . 15219 1 159 . 1 1 40 40 PRO C C 13 177.2 0.1 . 1 . . . . 258 PRO CO . 15219 1 160 . 1 1 40 40 PRO CA C 13 63.2 0.2 . 1 . . . . 258 PRO CA . 15219 1 161 . 1 1 40 40 PRO CB C 13 31.2 0.2 . 1 . . . . 258 PRO CB . 15219 1 162 . 1 1 41 41 SER H H 1 8.25 0.01 . 1 . . . . 259 SER HN . 15219 1 163 . 1 1 41 41 SER C C 13 174.3 0.1 . 1 . . . . 259 SER CO . 15219 1 164 . 1 1 41 41 SER CA C 13 58.1 0.2 . 1 . . . . 259 SER CA . 15219 1 165 . 1 1 41 41 SER CB C 13 63.0 0.2 . 1 . . . . 259 SER CB . 15219 1 166 . 1 1 41 41 SER N N 15 115.4 0.1 . 1 . . . . 259 SER N . 15219 1 167 . 1 1 42 42 SER H H 1 8.00 0.01 . 1 . . . . 260 SER HN . 15219 1 168 . 1 1 42 42 SER C C 13 172.8 0.1 . 1 . . . . 260 SER CO . 15219 1 169 . 1 1 42 42 SER CA C 13 55.8 0.2 . 1 . . . . 260 SER CA . 15219 1 170 . 1 1 42 42 SER CB C 13 63.0 0.2 . 1 . . . . 260 SER CB . 15219 1 171 . 1 1 42 42 SER N N 15 118.6 0.1 . 1 . . . . 260 SER N . 15219 1 172 . 1 1 43 43 PRO C C 13 177.4 0.1 . 1 . . . . 261 PRO CO . 15219 1 173 . 1 1 43 43 PRO CA C 13 59.2 0.2 . 1 . . . . 261 PRO CA . 15219 1 174 . 1 1 44 44 ASN H H 1 7.88 0.01 . 1 . . . . 262 ASN HN . 15219 1 175 . 1 1 44 44 ASN C C 13 174.5 0.1 . 1 . . . . 262 ASN CO . 15219 1 176 . 1 1 44 44 ASN CA C 13 52.3 0.2 . 1 . . . . 262 ASN CA . 15219 1 177 . 1 1 44 44 ASN CB C 13 38.6 0.2 . 1 . . . . 262 ASN CB . 15219 1 178 . 1 1 44 44 ASN N N 15 116.5 0.1 . 1 . . . . 262 ASN N . 15219 1 179 . 1 1 45 45 ASP H H 1 8.00 0.01 . 1 . . . . 263 ASP HN . 15219 1 180 . 1 1 45 45 ASP C C 13 173.8 0.1 . 1 . . . . 263 ASP CO . 15219 1 181 . 1 1 45 45 ASP CA C 13 52.2 0.2 . 1 . . . . 263 ASP CA . 15219 1 182 . 1 1 45 45 ASP CB C 13 40.6 0.2 . 1 . . . . 263 ASP CB . 15219 1 183 . 1 1 45 45 ASP N N 15 121.5 0.1 . 1 . . . . 263 ASP N . 15219 1 184 . 1 1 46 46 PRO C C 13 178.5 0.1 . 1 . . . . 264 PRO CO . 15219 1 185 . 1 1 46 46 PRO CA C 13 65.0 0.2 . 1 . . . . 264 PRO CA . 15219 1 186 . 1 1 47 47 VAL H H 1 7.83 0.01 . 1 . . . . 265 VAL HN . 15219 1 187 . 1 1 47 47 VAL C C 13 177.2 0.1 . 1 . . . . 265 VAL CO . 15219 1 188 . 1 1 47 47 VAL CA C 13 67.4 0.2 . 1 . . . . 265 VAL CA . 15219 1 189 . 1 1 47 47 VAL CB C 13 30.0 0.2 . 1 . . . . 265 VAL CB . 15219 1 190 . 1 1 47 47 VAL N N 15 117.9 0.1 . 1 . . . . 265 VAL N . 15219 1 191 . 1 1 48 48 THR H H 1 7.46 0.01 . 1 . . . . 266 THR HN . 15219 1 192 . 1 1 48 48 THR C C 13 176.8 0.1 . 1 . . . . 266 THR CO . 15219 1 193 . 1 1 48 48 THR CA C 13 65.6 0.2 . 1 . . . . 266 THR CA . 15219 1 194 . 1 1 48 48 THR CB C 13 67.1 0.2 . 1 . . . . 266 THR CB . 15219 1 195 . 1 1 48 48 THR N N 15 117.8 0.1 . 1 . . . . 266 THR N . 15219 1 196 . 1 1 49 49 ASN H H 1 7.83 0.01 . 1 . . . . 267 ASN HN . 15219 1 197 . 1 1 49 49 ASN C C 13 178.5 0.1 . 1 . . . . 267 ASN CO . 15219 1 198 . 1 1 49 49 ASN CA C 13 56.2 0.2 . 1 . . . . 267 ASN CA . 15219 1 199 . 1 1 49 49 ASN CB C 13 37.0 0.2 . 1 . . . . 267 ASN CB . 15219 1 200 . 1 1 49 49 ASN N N 15 118.8 0.1 . 1 . . . . 267 ASN N . 15219 1 201 . 1 1 50 50 ILE H H 1 8.47 0.01 . 1 . . . . 268 ILE HN . 15219 1 202 . 1 1 50 50 ILE C C 13 176.8 0.1 . 1 . . . . 268 ILE CO . 15219 1 203 . 1 1 50 50 ILE CA C 13 65.9 0.2 . 1 . . . . 268 ILE CA . 15219 1 204 . 1 1 50 50 ILE CB C 13 36.9 0.2 . 1 . . . . 268 ILE CB . 15219 1 205 . 1 1 50 50 ILE N N 15 123.3 0.1 . 1 . . . . 268 ILE N . 15219 1 206 . 1 1 51 51 CYS H H 1 8.40 0.01 . 1 . . . . 269 CYS HN . 15219 1 207 . 1 1 51 51 CYS C C 13 176.7 0.1 . 1 . . . . 269 CYS CO . 15219 1 208 . 1 1 51 51 CYS CA C 13 57.7 0.2 . 1 . . . . 269 CYS CA . 15219 1 209 . 1 1 51 51 CYS CB C 13 30.8 0.2 . 1 . . . . 269 CYS CB . 15219 1 210 . 1 1 51 51 CYS N N 15 118.4 0.1 . 1 . . . . 269 CYS N . 15219 1 211 . 1 1 52 52 GLN H H 1 8.22 0.01 . 1 . . . . 270 GLN HN . 15219 1 212 . 1 1 52 52 GLN C C 13 178.6 0.1 . 1 . . . . 270 GLN CO . 15219 1 213 . 1 1 52 52 GLN CA C 13 59.2 0.2 . 1 . . . . 270 GLN CA . 15219 1 214 . 1 1 52 52 GLN CB C 13 27.6 0.2 . 1 . . . . 270 GLN CB . 15219 1 215 . 1 1 52 52 GLN N N 15 121.0 0.1 . 1 . . . . 270 GLN N . 15219 1 216 . 1 1 53 53 ALA H H 1 7.55 0.01 . 1 . . . . 271 ALA HN . 15219 1 217 . 1 1 53 53 ALA C C 13 178.2 0.1 . 1 . . . . 271 ALA CO . 15219 1 218 . 1 1 53 53 ALA CA C 13 54.9 0.2 . 1 . . . . 271 ALA CA . 15219 1 219 . 1 1 53 53 ALA CB C 13 17.8 0.2 . 1 . . . . 271 ALA CB . 15219 1 220 . 1 1 53 53 ALA N N 15 123.2 0.1 . 1 . . . . 271 ALA N . 15219 1 221 . 1 1 54 54 ALA H H 1 8.29 0.01 . 1 . . . . 272 ALA HN . 15219 1 222 . 1 1 54 54 ALA C C 13 178.1 0.1 . 1 . . . . 272 ALA CO . 15219 1 223 . 1 1 54 54 ALA CA C 13 55.2 0.2 . 1 . . . . 272 ALA CA . 15219 1 224 . 1 1 54 54 ALA CB C 13 17.8 0.2 . 1 . . . . 272 ALA CB . 15219 1 225 . 1 1 54 54 ALA N N 15 119.8 0.1 . 1 . . . . 272 ALA N . 15219 1 226 . 1 1 55 55 ASP H H 1 7.56 0.01 . 1 . . . . 273 ASP HN . 15219 1 227 . 1 1 55 55 ASP C C 13 177.2 0.1 . 1 . . . . 273 ASP CO . 15219 1 228 . 1 1 55 55 ASP CA C 13 58.5 0.2 . 1 . . . . 273 ASP CA . 15219 1 229 . 1 1 55 55 ASP CB C 13 44.0 0.2 . 1 . . . . 273 ASP CB . 15219 1 230 . 1 1 55 55 ASP N N 15 115.4 0.1 . 1 . . . . 273 ASP N . 15219 1 231 . 1 1 56 56 LYS H H 1 7.39 0.01 . 1 . . . . 274 LYS HN . 15219 1 232 . 1 1 56 56 LYS C C 13 180.9 0.1 . 1 . . . . 274 LYS CO . 15219 1 233 . 1 1 56 56 LYS CA C 13 59.1 0.2 . 1 . . . . 274 LYS CA . 15219 1 234 . 1 1 56 56 LYS CB C 13 31.7 0.2 . 1 . . . . 274 LYS CB . 15219 1 235 . 1 1 56 56 LYS N N 15 115.0 0.1 . 1 . . . . 274 LYS N . 15219 1 236 . 1 1 57 57 GLN H H 1 8.45 0.01 . 1 . . . . 275 GLN HN . 15219 1 237 . 1 1 57 57 GLN C C 13 178.8 0.1 . 1 . . . . 275 GLN CO . 15219 1 238 . 1 1 57 57 GLN CA C 13 55.7 0.2 . 1 . . . . 275 GLN CA . 15219 1 239 . 1 1 57 57 GLN CB C 13 29.7 0.2 . 1 . . . . 275 GLN CB . 15219 1 240 . 1 1 57 57 GLN N N 15 115.8 0.1 . 1 . . . . 275 GLN N . 15219 1 241 . 1 1 58 58 LEU H H 1 8.18 0.01 . 1 . . . . 276 LEU HN . 15219 1 242 . 1 1 58 58 LEU C C 13 178.3 0.1 . 1 . . . . 276 LEU CO . 15219 1 243 . 1 1 58 58 LEU CA C 13 57.7 0.2 . 1 . . . . 276 LEU CA . 15219 1 244 . 1 1 58 58 LEU CB C 13 40.2 0.2 . 1 . . . . 276 LEU CB . 15219 1 245 . 1 1 58 58 LEU N N 15 127.3 0.1 . 1 . . . . 276 LEU N . 15219 1 246 . 1 1 59 59 PHE H H 1 7.15 0.01 . 1 . . . . 277 PHE HN . 15219 1 247 . 1 1 59 59 PHE C C 13 179.7 0.1 . 1 . . . . 277 PHE CO . 15219 1 248 . 1 1 59 59 PHE CA C 13 62.5 0.2 . 1 . . . . 277 PHE CA . 15219 1 249 . 1 1 59 59 PHE CB C 13 38.0 0.2 . 1 . . . . 277 PHE CB . 15219 1 250 . 1 1 59 59 PHE N N 15 115.3 0.1 . 1 . . . . 277 PHE N . 15219 1 251 . 1 1 60 60 THR H H 1 7.15 0.01 . 1 . . . . 278 THR HN . 15219 1 252 . 1 1 60 60 THR C C 13 175.7 0.1 . 1 . . . . 278 THR CO . 15219 1 253 . 1 1 60 60 THR CA C 13 64.1 0.2 . 1 . . . . 278 THR CA . 15219 1 254 . 1 1 60 60 THR CB C 13 68.2 0.2 . 1 . . . . 278 THR CB . 15219 1 255 . 1 1 60 60 THR N N 15 112.7 0.1 . 1 . . . . 278 THR N . 15219 1 256 . 1 1 61 61 LEU H H 1 8.26 0.01 . 1 . . . . 279 LEU HN . 15219 1 257 . 1 1 61 61 LEU C C 13 178.3 0.1 . 1 . . . . 279 LEU CO . 15219 1 258 . 1 1 61 61 LEU CA C 13 56.8 0.2 . 1 . . . . 279 LEU CA . 15219 1 259 . 1 1 61 61 LEU CB C 13 40.6 0.2 . 1 . . . . 279 LEU CB . 15219 1 260 . 1 1 61 61 LEU N N 15 125.6 0.1 . 1 . . . . 279 LEU N . 15219 1 261 . 1 1 62 62 VAL H H 1 7.27 0.01 . 1 . . . . 280 VAL HN . 15219 1 262 . 1 1 62 62 VAL C C 13 176.7 0.1 . 1 . . . . 280 VAL CO . 15219 1 263 . 1 1 62 62 VAL CA C 13 66.6 0.2 . 1 . . . . 280 VAL CA . 15219 1 264 . 1 1 62 62 VAL CB C 13 30.8 0.2 . 1 . . . . 280 VAL CB . 15219 1 265 . 1 1 62 62 VAL N N 15 117.5 0.1 . 1 . . . . 280 VAL N . 15219 1 266 . 1 1 63 63 GLU H H 1 6.79 0.01 . 1 . . . . 281 GLU HN . 15219 1 267 . 1 1 63 63 GLU C C 13 178.7 0.1 . 1 . . . . 281 GLU CO . 15219 1 268 . 1 1 63 63 GLU CA C 13 58.6 0.2 . 1 . . . . 281 GLU CA . 15219 1 269 . 1 1 63 63 GLU CB C 13 28.2 0.2 . 1 . . . . 281 GLU CB . 15219 1 270 . 1 1 63 63 GLU N N 15 117.3 0.1 . 1 . . . . 281 GLU N . 15219 1 271 . 1 1 64 64 TRP H H 1 8.38 0.01 . 1 . . . . 282 TRP HN . 15219 1 272 . 1 1 64 64 TRP C C 13 176.7 0.1 . 1 . . . . 282 TRP CO . 15219 1 273 . 1 1 64 64 TRP CA C 13 61.7 0.2 . 1 . . . . 282 TRP CA . 15219 1 274 . 1 1 64 64 TRP CB C 13 27.9 0.2 . 1 . . . . 282 TRP CB . 15219 1 275 . 1 1 64 64 TRP N N 15 120.3 0.1 . 1 . . . . 282 TRP N . 15219 1 276 . 1 1 65 65 ALA H H 1 8.30 0.01 . 1 . . . . 283 ALA HN . 15219 1 277 . 1 1 65 65 ALA C C 13 179.0 0.1 . 1 . . . . 283 ALA CO . 15219 1 278 . 1 1 65 65 ALA CA C 13 54.6 0.2 . 1 . . . . 283 ALA CA . 15219 1 279 . 1 1 65 65 ALA CB C 13 16.3 0.2 . 1 . . . . 283 ALA CB . 15219 1 280 . 1 1 65 65 ALA N N 15 121.0 0.1 . 1 . . . . 283 ALA N . 15219 1 281 . 1 1 66 66 LYS H H 1 7.45 0.01 . 1 . . . . 284 LYS HN . 15219 1 282 . 1 1 66 66 LYS C C 13 178.8 0.1 . 1 . . . . 284 LYS CO . 15219 1 283 . 1 1 66 66 LYS CA C 13 58.9 0.2 . 1 . . . . 284 LYS CA . 15219 1 284 . 1 1 66 66 LYS CB C 13 31.9 0.2 . 1 . . . . 284 LYS CB . 15219 1 285 . 1 1 66 66 LYS N N 15 111.7 0.1 . 1 . . . . 284 LYS N . 15219 1 286 . 1 1 67 67 ARG H H 1 7.33 0.01 . 1 . . . . 285 ARG HN . 15219 1 287 . 1 1 67 67 ARG C C 13 176.4 0.1 . 1 . . . . 285 ARG CO . 15219 1 288 . 1 1 67 67 ARG CA C 13 55.6 0.2 . 1 . . . . 285 ARG CA . 15219 1 289 . 1 1 67 67 ARG CB C 13 29.7 0.2 . 1 . . . . 285 ARG CB . 15219 1 290 . 1 1 67 67 ARG N N 15 118.5 0.1 . 1 . . . . 285 ARG N . 15219 1 291 . 1 1 68 68 ILE H H 1 7.36 0.01 . 1 . . . . 286 ILE HN . 15219 1 292 . 1 1 68 68 ILE C C 13 174.9 0.1 . 1 . . . . 286 ILE CO . 15219 1 293 . 1 1 68 68 ILE CA C 13 55.0 0.2 . 1 . . . . 286 ILE CA . 15219 1 294 . 1 1 68 68 ILE CB C 13 33.4 0.2 . 1 . . . . 286 ILE CB . 15219 1 295 . 1 1 68 68 ILE N N 15 126.8 0.1 . 1 . . . . 286 ILE N . 15219 1 296 . 1 1 69 69 PRO C C 13 174.8 0.1 . 1 . . . . 287 PRO CO . 15219 1 297 . 1 1 69 69 PRO CA C 13 64.3 0.2 . 1 . . . . 287 PRO CA . 15219 1 298 . 1 1 69 69 PRO CB C 13 31.0 0.2 . 1 . . . . 287 PRO CB . 15219 1 299 . 1 1 70 70 HIS H H 1 7.96 0.01 . 1 . . . . 288 HIS HN . 15219 1 300 . 1 1 70 70 HIS C C 13 176.1 0.1 . 1 . . . . 288 HIS CO . 15219 1 301 . 1 1 70 70 HIS CA C 13 58.2 0.2 . 1 . . . . 288 HIS CA . 15219 1 302 . 1 1 70 70 HIS CB C 13 27.4 0.2 . 1 . . . . 288 HIS CB . 15219 1 303 . 1 1 70 70 HIS N N 15 111.3 0.1 . 1 . . . . 288 HIS N . 15219 1 304 . 1 1 71 71 PHE H H 1 8.05 0.01 . 1 . . . . 289 PHE HN . 15219 1 305 . 1 1 71 71 PHE C C 13 177.0 0.1 . 1 . . . . 289 PHE CO . 15219 1 306 . 1 1 71 71 PHE CA C 13 62.9 0.2 . 1 . . . . 289 PHE CA . 15219 1 307 . 1 1 71 71 PHE CB C 13 38.6 0.2 . 1 . . . . 289 PHE CB . 15219 1 308 . 1 1 71 71 PHE N N 15 125.1 0.1 . 1 . . . . 289 PHE N . 15219 1 309 . 1 1 72 72 SER H H 1 9.09 0.01 . 1 . . . . 290 SER HN . 15219 1 310 . 1 1 72 72 SER C C 13 174.2 0.1 . 1 . . . . 290 SER CO . 15219 1 311 . 1 1 72 72 SER CA C 13 60.2 0.2 . 1 . . . . 290 SER CA . 15219 1 312 . 1 1 72 72 SER CB C 13 62.7 0.2 . 1 . . . . 290 SER CB . 15219 1 313 . 1 1 72 72 SER N N 15 111.0 0.1 . 1 . . . . 290 SER N . 15219 1 314 . 1 1 73 73 GLU H H 1 7.11 0.01 . 1 . . . . 291 GLU HN . 15219 1 315 . 1 1 73 73 GLU C C 13 178.1 0.1 . 1 . . . . 291 GLU CO . 15219 1 316 . 1 1 73 73 GLU CA C 13 55.8 0.2 . 1 . . . . 291 GLU CA . 15219 1 317 . 1 1 73 73 GLU CB C 13 29.3 0.2 . 1 . . . . 291 GLU CB . 15219 1 318 . 1 1 73 73 GLU N N 15 118.2 0.1 . 1 . . . . 291 GLU N . 15219 1 319 . 1 1 74 74 LEU H H 1 7.21 0.01 . 1 . . . . 292 LEU HN . 15219 1 320 . 1 1 74 74 LEU C C 13 174.9 0.1 . 1 . . . . 292 LEU CO . 15219 1 321 . 1 1 74 74 LEU CA C 13 53.2 0.2 . 1 . . . . 292 LEU CA . 15219 1 322 . 1 1 74 74 LEU CB C 13 39.7 0.2 . 1 . . . . 292 LEU CB . 15219 1 323 . 1 1 74 74 LEU N N 15 122.0 0.1 . 1 . . . . 292 LEU N . 15219 1 324 . 1 1 75 75 PRO C C 13 178.1 0.1 . 1 . . . . 293 PRO CO . 15219 1 325 . 1 1 75 75 PRO CA C 13 62.9 0.2 . 1 . . . . 293 PRO CA . 15219 1 326 . 1 1 75 75 PRO CB C 13 31.2 0.2 . 1 . . . . 293 PRO CB . 15219 1 327 . 1 1 76 76 LEU H H 1 8.72 0.01 . 1 . . . . 294 LEU HN . 15219 1 328 . 1 1 76 76 LEU C C 13 178.4 0.1 . 1 . . . . 294 LEU CO . 15219 1 329 . 1 1 76 76 LEU CA C 13 58.4 0.2 . 1 . . . . 294 LEU CA . 15219 1 330 . 1 1 76 76 LEU CB C 13 40.4 0.2 . 1 . . . . 294 LEU CB . 15219 1 331 . 1 1 76 76 LEU N N 15 129.0 0.1 . 1 . . . . 294 LEU N . 15219 1 332 . 1 1 77 77 ASP H H 1 8.65 0.01 . 1 . . . . 295 ASP HN . 15219 1 333 . 1 1 77 77 ASP C C 13 179.2 0.1 . 1 . . . . 295 ASP CO . 15219 1 334 . 1 1 77 77 ASP CA C 13 57.1 0.2 . 1 . . . . 295 ASP CA . 15219 1 335 . 1 1 77 77 ASP CB C 13 39.9 0.2 . 1 . . . . 295 ASP CB . 15219 1 336 . 1 1 77 77 ASP N N 15 114.5 0.1 . 1 . . . . 295 ASP N . 15219 1 337 . 1 1 78 78 ASP H H 1 7.14 0.01 . 1 . . . . 296 ASP HN . 15219 1 338 . 1 1 78 78 ASP C C 13 177.5 0.1 . 1 . . . . 296 ASP CO . 15219 1 339 . 1 1 78 78 ASP CA C 13 56.6 0.2 . 1 . . . . 296 ASP CA . 15219 1 340 . 1 1 78 78 ASP CB C 13 39.9 0.2 . 1 . . . . 296 ASP CB . 15219 1 341 . 1 1 78 78 ASP N N 15 119.1 0.1 . 1 . . . . 296 ASP N . 15219 1 342 . 1 1 79 79 GLN H H 1 7.74 0.01 . 1 . . . . 297 GLN HN . 15219 1 343 . 1 1 79 79 GLN C C 13 178.9 0.1 . 1 . . . . 297 GLN CO . 15219 1 344 . 1 1 79 79 GLN CA C 13 59.3 0.2 . 1 . . . . 297 GLN CA . 15219 1 345 . 1 1 79 79 GLN N N 15 121.5 0.1 . 1 . . . . 297 GLN N . 15219 1 346 . 1 1 80 80 VAL H H 1 7.78 0.01 . 1 . . . . 298 VAL HN . 15219 1 347 . 1 1 80 80 VAL C C 13 177.9 0.1 . 1 . . . . 298 VAL CO . 15219 1 348 . 1 1 80 80 VAL CA C 13 66.0 0.2 . 1 . . . . 298 VAL CA . 15219 1 349 . 1 1 80 80 VAL CB C 13 29.1 0.2 . 1 . . . . 298 VAL CB . 15219 1 350 . 1 1 80 80 VAL N N 15 116.9 0.1 . 1 . . . . 298 VAL N . 15219 1 351 . 1 1 81 81 ILE H H 1 7.48 0.01 . 1 . . . . 299 ILE HN . 15219 1 352 . 1 1 81 81 ILE C C 13 179.1 0.1 . 1 . . . . 299 ILE CO . 15219 1 353 . 1 1 81 81 ILE CA C 13 65.0 0.2 . 1 . . . . 299 ILE CA . 15219 1 354 . 1 1 81 81 ILE CB C 13 37.6 0.2 . 1 . . . . 299 ILE CB . 15219 1 355 . 1 1 81 81 ILE N N 15 120.1 0.1 . 1 . . . . 299 ILE N . 15219 1 356 . 1 1 82 82 LEU H H 1 8.62 0.01 . 1 . . . . 300 LEU HN . 15219 1 357 . 1 1 82 82 LEU C C 13 181.7 0.1 . 1 . . . . 300 LEU CO . 15219 1 358 . 1 1 82 82 LEU CA C 13 57.7 0.2 . 1 . . . . 300 LEU CA . 15219 1 359 . 1 1 82 82 LEU CB C 13 39.6 0.2 . 1 . . . . 300 LEU CB . 15219 1 360 . 1 1 82 82 LEU N N 15 118.8 0.1 . 1 . . . . 300 LEU N . 15219 1 361 . 1 1 83 83 LEU H H 1 8.03 0.01 . 1 . . . . 301 LEU HN . 15219 1 362 . 1 1 83 83 LEU C C 13 179.2 0.1 . 1 . . . . 301 LEU CO . 15219 1 363 . 1 1 83 83 LEU CA C 13 58.1 0.2 . 1 . . . . 301 LEU CA . 15219 1 364 . 1 1 83 83 LEU CB C 13 41.6 0.2 . 1 . . . . 301 LEU CB . 15219 1 365 . 1 1 83 83 LEU N N 15 120.3 0.1 . 1 . . . . 301 LEU N . 15219 1 366 . 1 1 84 84 ARG H H 1 8.78 0.01 . 1 . . . . 302 ARG HN . 15219 1 367 . 1 1 84 84 ARG C C 13 178.3 0.1 . 1 . . . . 302 ARG CO . 15219 1 368 . 1 1 84 84 ARG CA C 13 60.0 0.2 . 1 . . . . 302 ARG CA . 15219 1 369 . 1 1 84 84 ARG CB C 13 30.9 0.2 . 1 . . . . 302 ARG CB . 15219 1 370 . 1 1 84 84 ARG N N 15 119.5 0.1 . 1 . . . . 302 ARG N . 15219 1 371 . 1 1 85 85 ALA H H 1 8.44 0.01 . 1 . . . . 303 ALA HN . 15219 1 372 . 1 1 85 85 ALA C C 13 180.2 0.1 . 1 . . . . 303 ALA CO . 15219 1 373 . 1 1 85 85 ALA CA C 13 53.7 0.2 . 1 . . . . 303 ALA CA . 15219 1 374 . 1 1 85 85 ALA CB C 13 18.1 0.2 . 1 . . . . 303 ALA CB . 15219 1 375 . 1 1 85 85 ALA N N 15 118.7 0.1 . 1 . . . . 303 ALA N . 15219 1 376 . 1 1 86 86 GLY H H 1 7.66 0.01 . 1 . . . . 304 GLY HN . 15219 1 377 . 1 1 86 86 GLY C C 13 175.8 0.1 . 1 . . . . 304 GLY CO . 15219 1 378 . 1 1 86 86 GLY CA C 13 45.5 0.2 . 1 . . . . 304 GLY CA . 15219 1 379 . 1 1 86 86 GLY N N 15 102.9 0.1 . 1 . . . . 304 GLY N . 15219 1 380 . 1 1 87 87 TRP H H 1 8.07 0.01 . 1 . . . . 305 TRP HN . 15219 1 381 . 1 1 87 87 TRP C C 13 174.9 0.1 . 1 . . . . 305 TRP CO . 15219 1 382 . 1 1 87 87 TRP CA C 13 60.3 0.2 . 1 . . . . 305 TRP CA . 15219 1 383 . 1 1 87 87 TRP CB C 13 26.4 0.2 . 1 . . . . 305 TRP CB . 15219 1 384 . 1 1 87 87 TRP N N 15 119.6 0.1 . 1 . . . . 305 TRP N . 15219 1 385 . 1 1 88 88 ASN H H 1 7.04 0.01 . 1 . . . . 306 ASN HN . 15219 1 386 . 1 1 88 88 ASN C C 13 175.9 0.1 . 1 . . . . 306 ASN CO . 15219 1 387 . 1 1 88 88 ASN CA C 13 56.9 0.2 . 1 . . . . 306 ASN CA . 15219 1 388 . 1 1 88 88 ASN CB C 13 34.0 0.2 . 1 . . . . 306 ASN CB . 15219 1 389 . 1 1 88 88 ASN N N 15 117.8 0.1 . 1 . . . . 306 ASN N . 15219 1 390 . 1 1 89 89 GLU H H 1 6.80 0.01 . 1 . . . . 307 GLU HN . 15219 1 391 . 1 1 89 89 GLU C C 13 178.4 0.1 . 1 . . . . 307 GLU CO . 15219 1 392 . 1 1 89 89 GLU CA C 13 59.8 0.2 . 1 . . . . 307 GLU CA . 15219 1 393 . 1 1 89 89 GLU N N 15 121.2 0.1 . 1 . . . . 307 GLU N . 15219 1 394 . 1 1 90 90 LEU H H 1 8.20 0.01 . 1 . . . . 308 LEU HN . 15219 1 395 . 1 1 90 90 LEU C C 13 180.6 0.1 . 1 . . . . 308 LEU CO . 15219 1 396 . 1 1 90 90 LEU CA C 13 57.8 0.2 . 1 . . . . 308 LEU CA . 15219 1 397 . 1 1 90 90 LEU N N 15 118.1 0.1 . 1 . . . . 308 LEU N . 15219 1 398 . 1 1 91 91 LEU H H 1 8.32 0.01 . 1 . . . . 309 LEU HN . 15219 1 399 . 1 1 91 91 LEU C C 13 179.7 0.1 . 1 . . . . 309 LEU CO . 15219 1 400 . 1 1 91 91 LEU CA C 13 57.2 0.2 . 1 . . . . 309 LEU CA . 15219 1 401 . 1 1 91 91 LEU CB C 13 40.8 0.2 . 1 . . . . 309 LEU CB . 15219 1 402 . 1 1 91 91 LEU N N 15 119.3 0.1 . 1 . . . . 309 LEU N . 15219 1 403 . 1 1 92 92 ILE H H 1 7.87 0.01 . 1 . . . . 310 ILE HN . 15219 1 404 . 1 1 92 92 ILE C C 13 179.1 0.1 . 1 . . . . 310 ILE CO . 15219 1 405 . 1 1 92 92 ILE CA C 13 63.0 0.2 . 1 . . . . 310 ILE CA . 15219 1 406 . 1 1 92 92 ILE CB C 13 37.1 0.2 . 1 . . . . 310 ILE CB . 15219 1 407 . 1 1 92 92 ILE N N 15 120.7 0.1 . 1 . . . . 310 ILE N . 15219 1 408 . 1 1 93 93 ALA H H 1 8.15 0.01 . 1 . . . . 311 ALA HN . 15219 1 409 . 1 1 93 93 ALA C C 13 177.7 0.1 . 1 . . . . 311 ALA CO . 15219 1 410 . 1 1 93 93 ALA CA C 13 55.2 0.2 . 1 . . . . 311 ALA CA . 15219 1 411 . 1 1 93 93 ALA CB C 13 15.7 0.2 . 1 . . . . 311 ALA CB . 15219 1 412 . 1 1 93 93 ALA N N 15 123.0 0.1 . 1 . . . . 311 ALA N . 15219 1 413 . 1 1 94 94 SER H H 1 6.60 0.01 . 1 . . . . 312 SER HN . 15219 1 414 . 1 1 94 94 SER C C 13 178.3 0.1 . 1 . . . . 312 SER CO . 15219 1 415 . 1 1 94 94 SER CA C 13 62.1 0.2 . 1 . . . . 312 SER CA . 15219 1 416 . 1 1 94 94 SER CB C 13 60.0 0.2 . 1 . . . . 312 SER CB . 15219 1 417 . 1 1 94 94 SER N N 15 109.4 0.1 . 1 . . . . 312 SER N . 15219 1 418 . 1 1 95 95 PHE H H 1 8.13 0.01 . 1 . . . . 313 PHE HN . 15219 1 419 . 1 1 95 95 PHE C C 13 179.1 0.1 . 1 . . . . 313 PHE CO . 15219 1 420 . 1 1 95 95 PHE CA C 13 59.4 0.2 . 1 . . . . 313 PHE CA . 15219 1 421 . 1 1 95 95 PHE CB C 13 35.8 0.2 . 1 . . . . 313 PHE CB . 15219 1 422 . 1 1 95 95 PHE N N 15 119.2 0.1 . 1 . . . . 313 PHE N . 15219 1 423 . 1 1 96 96 SER H H 1 7.68 0.01 . 1 . . . . 314 SER HN . 15219 1 424 . 1 1 96 96 SER C C 13 174.1 0.1 . 1 . . . . 314 SER CO . 15219 1 425 . 1 1 96 96 SER CA C 13 63.3 0.2 . 1 . . . . 314 SER CA . 15219 1 426 . 1 1 96 96 SER CB C 13 61.1 0.2 . 1 . . . . 314 SER CB . 15219 1 427 . 1 1 96 96 SER N N 15 125.8 0.1 . 1 . . . . 314 SER N . 15219 1 428 . 1 1 97 97 HIS H H 1 7.37 0.01 . 1 . . . . 315 HIS HN . 15219 1 429 . 1 1 97 97 HIS C C 13 178.6 0.1 . 1 . . . . 315 HIS CO . 15219 1 430 . 1 1 97 97 HIS CA C 13 61.6 0.2 . 1 . . . . 315 HIS CA . 15219 1 431 . 1 1 97 97 HIS CB C 13 32.2 0.2 . 1 . . . . 315 HIS CB . 15219 1 432 . 1 1 97 97 HIS N N 15 121.7 0.1 . 1 . . . . 315 HIS N . 15219 1 433 . 1 1 98 98 ARG H H 1 7.55 0.01 . 1 . . . . 316 ARG HN . 15219 1 434 . 1 1 98 98 ARG C C 13 178.2 0.1 . 1 . . . . 316 ARG CO . 15219 1 435 . 1 1 98 98 ARG CA C 13 57.7 0.2 . 1 . . . . 316 ARG CA . 15219 1 436 . 1 1 98 98 ARG CB C 13 30.3 0.2 . 1 . . . . 316 ARG CB . 15219 1 437 . 1 1 98 98 ARG N N 15 119.1 0.1 . 1 . . . . 316 ARG N . 15219 1 438 . 1 1 99 99 SER H H 1 7.33 0.01 . 1 . . . . 317 SER HN . 15219 1 439 . 1 1 99 99 SER C C 13 173.5 0.1 . 1 . . . . 317 SER CO . 15219 1 440 . 1 1 99 99 SER CA C 13 59.6 0.2 . 1 . . . . 317 SER CA . 15219 1 441 . 1 1 99 99 SER CB C 13 62.6 0.2 . 1 . . . . 317 SER CB . 15219 1 442 . 1 1 99 99 SER N N 15 111.1 0.1 . 1 . . . . 317 SER N . 15219 1 443 . 1 1 100 100 ILE H H 1 7.14 0.01 . 1 . . . . 318 ILE HN . 15219 1 444 . 1 1 100 100 ILE C C 13 176.8 0.1 . 1 . . . . 318 ILE CO . 15219 1 445 . 1 1 100 100 ILE CA C 13 64.8 0.2 . 1 . . . . 318 ILE CA . 15219 1 446 . 1 1 100 100 ILE CB C 13 38.0 0.2 . 1 . . . . 318 ILE CB . 15219 1 447 . 1 1 100 100 ILE N N 15 118.2 0.1 . 1 . . . . 318 ILE N . 15219 1 448 . 1 1 101 101 ALA H H 1 7.47 0.01 . 1 . . . . 319 ALA HN . 15219 1 449 . 1 1 101 101 ALA C C 13 177.1 0.1 . 1 . . . . 319 ALA CO . 15219 1 450 . 1 1 101 101 ALA CA C 13 52.2 0.2 . 1 . . . . 319 ALA CA . 15219 1 451 . 1 1 101 101 ALA CB C 13 18.9 0.2 . 1 . . . . 319 ALA CB . 15219 1 452 . 1 1 101 101 ALA N N 15 120.1 0.1 . 1 . . . . 319 ALA N . 15219 1 453 . 1 1 102 102 VAL H H 1 7.59 0.01 . 1 . . . . 320 VAL HN . 15219 1 454 . 1 1 102 102 VAL C C 13 175.1 0.1 . 1 . . . . 320 VAL CO . 15219 1 455 . 1 1 102 102 VAL CA C 13 59.6 0.2 . 1 . . . . 320 VAL CA . 15219 1 456 . 1 1 102 102 VAL CB C 13 32.9 0.2 . 1 . . . . 320 VAL CB . 15219 1 457 . 1 1 102 102 VAL N N 15 116.1 0.1 . 1 . . . . 320 VAL N . 15219 1 458 . 1 1 103 103 LYS H H 1 8.52 0.01 . 1 . . . . 321 LYS HN . 15219 1 459 . 1 1 103 103 LYS C C 13 176.7 0.1 . 1 . . . . 321 LYS CO . 15219 1 460 . 1 1 103 103 LYS CA C 13 55.3 0.2 . 1 . . . . 321 LYS CA . 15219 1 461 . 1 1 103 103 LYS CB C 13 32.5 0.2 . 1 . . . . 321 LYS CB . 15219 1 462 . 1 1 103 103 LYS N N 15 124.4 0.1 . 1 . . . . 321 LYS N . 15219 1 463 . 1 1 104 104 ASP H H 1 8.84 0.01 . 1 . . . . 322 ASP HN . 15219 1 464 . 1 1 104 104 ASP C C 13 174.0 0.1 . 1 . . . . 322 ASP CO . 15219 1 465 . 1 1 104 104 ASP CA C 13 55.2 0.2 . 1 . . . . 322 ASP CA . 15219 1 466 . 1 1 104 104 ASP CB C 13 39.6 0.2 . 1 . . . . 322 ASP CB . 15219 1 467 . 1 1 104 104 ASP N N 15 121.9 0.1 . 1 . . . . 322 ASP N . 15219 1 468 . 1 1 105 105 GLY H H 1 7.46 0.01 . 1 . . . . 323 GLY HN . 15219 1 469 . 1 1 105 105 GLY C C 13 180.9 0.1 . 1 . . . . 323 GLY CO . 15219 1 470 . 1 1 105 105 GLY CA C 13 46.2 0.2 . 1 . . . . 323 GLY CA . 15219 1 471 . 1 1 105 105 GLY N N 15 103.1 0.1 . 1 . . . . 323 GLY N . 15219 1 472 . 1 1 106 106 ILE H H 1 8.39 0.01 . 1 . . . . 324 ILE HN . 15219 1 473 . 1 1 106 106 ILE C C 13 173.3 0.1 . 1 . . . . 324 ILE CO . 15219 1 474 . 1 1 106 106 ILE CA C 13 57.7 0.2 . 1 . . . . 324 ILE CA . 15219 1 475 . 1 1 106 106 ILE CB C 13 41.1 0.2 . 1 . . . . 324 ILE CB . 15219 1 476 . 1 1 106 106 ILE N N 15 110.6 0.1 . 1 . . . . 324 ILE N . 15219 1 477 . 1 1 107 107 LEU H H 1 8.19 0.01 . 1 . . . . 325 LEU HN . 15219 1 478 . 1 1 107 107 LEU C C 13 175.4 0.1 . 1 . . . . 325 LEU CO . 15219 1 479 . 1 1 107 107 LEU CA C 13 52.5 0.2 . 1 . . . . 325 LEU CA . 15219 1 480 . 1 1 107 107 LEU CB C 13 42.3 0.2 . 1 . . . . 325 LEU CB . 15219 1 481 . 1 1 107 107 LEU N N 15 124.4 0.1 . 1 . . . . 325 LEU N . 15219 1 482 . 1 1 108 108 LEU H H 1 8.67 0.01 . 1 . . . . 326 LEU HN . 15219 1 483 . 1 1 108 108 LEU C C 13 180.6 0.1 . 1 . . . . 326 LEU CO . 15219 1 484 . 1 1 108 108 LEU CA C 13 52.9 0.2 . 1 . . . . 326 LEU CA . 15219 1 485 . 1 1 108 108 LEU CB C 13 42.1 0.2 . 1 . . . . 326 LEU CB . 15219 1 486 . 1 1 108 108 LEU N N 15 123.0 0.1 . 1 . . . . 326 LEU N . 15219 1 487 . 1 1 109 109 ALA H H 1 11.20 0.01 . 1 . . . . 327 ALA HN . 15219 1 488 . 1 1 109 109 ALA C C 13 177.8 0.1 . 1 . . . . 327 ALA CO . 15219 1 489 . 1 1 109 109 ALA CA C 13 54.2 0.2 . 1 . . . . 327 ALA CA . 15219 1 490 . 1 1 109 109 ALA CB C 13 18.6 0.2 . 1 . . . . 327 ALA CB . 15219 1 491 . 1 1 109 109 ALA N N 15 127.6 0.1 . 1 . . . . 327 ALA N . 15219 1 492 . 1 1 110 110 THR H H 1 6.97 0.01 . 1 . . . . 328 THR HN . 15219 1 493 . 1 1 110 110 THR C C 13 175.5 0.1 . 1 . . . . 328 THR CO . 15219 1 494 . 1 1 110 110 THR CA C 13 60.3 0.2 . 1 . . . . 328 THR CA . 15219 1 495 . 1 1 110 110 THR CB C 13 68.7 0.2 . 1 . . . . 328 THR CB . 15219 1 496 . 1 1 110 110 THR N N 15 102.1 0.1 . 1 . . . . 328 THR N . 15219 1 497 . 1 1 111 111 GLY H H 1 8.00 0.01 . 1 . . . . 329 GLY HN . 15219 1 498 . 1 1 111 111 GLY C C 13 172.9 0.1 . 1 . . . . 329 GLY CO . 15219 1 499 . 1 1 111 111 GLY CA C 13 44.8 0.2 . 1 . . . . 329 GLY CA . 15219 1 500 . 1 1 111 111 GLY N N 15 109.6 0.1 . 1 . . . . 329 GLY N . 15219 1 501 . 1 1 112 112 LEU H H 1 6.32 0.01 . 1 . . . . 330 LEU HN . 15219 1 502 . 1 1 112 112 LEU C C 13 174.8 0.1 . 1 . . . . 330 LEU CO . 15219 1 503 . 1 1 112 112 LEU CA C 13 53.8 0.2 . 1 . . . . 330 LEU CA . 15219 1 504 . 1 1 112 112 LEU CB C 13 42.9 0.2 . 1 . . . . 330 LEU CB . 15219 1 505 . 1 1 112 112 LEU N N 15 119.5 0.1 . 1 . . . . 330 LEU N . 15219 1 506 . 1 1 113 113 HIS H H 1 8.47 0.01 . 1 . . . . 331 HIS HN . 15219 1 507 . 1 1 113 113 HIS C C 13 175.7 0.1 . 1 . . . . 331 HIS CO . 15219 1 508 . 1 1 113 113 HIS CA C 13 54.4 0.2 . 1 . . . . 331 HIS CA . 15219 1 509 . 1 1 113 113 HIS CB C 13 32.0 0.2 . 1 . . . . 331 HIS CB . 15219 1 510 . 1 1 113 113 HIS N N 15 122.7 0.1 . 1 . . . . 331 HIS N . 15219 1 511 . 1 1 114 114 VAL H H 1 8.64 0.01 . 1 . . . . 332 VAL HN . 15219 1 512 . 1 1 114 114 VAL C C 13 174.3 0.1 . 1 . . . . 332 VAL CO . 15219 1 513 . 1 1 114 114 VAL CA C 13 61.0 0.2 . 1 . . . . 332 VAL CA . 15219 1 514 . 1 1 114 114 VAL CB C 13 32.8 0.2 . 1 . . . . 332 VAL CB . 15219 1 515 . 1 1 114 114 VAL N N 15 125.0 0.1 . 1 . . . . 332 VAL N . 15219 1 516 . 1 1 115 115 HIS H H 1 8.81 0.01 . 1 . . . . 333 HIS HN . 15219 1 517 . 1 1 115 115 HIS C C 13 176.7 0.1 . 1 . . . . 333 HIS CO . 15219 1 518 . 1 1 115 115 HIS CA C 13 56.7 0.2 . 1 . . . . 333 HIS CA . 15219 1 519 . 1 1 115 115 HIS CB C 13 32.3 0.2 . 1 . . . . 333 HIS CB . 15219 1 520 . 1 1 115 115 HIS N N 15 128.0 0.1 . 1 . . . . 333 HIS N . 15219 1 521 . 1 1 116 116 ARG H H 1 8.52 0.01 . 1 . . . . 334 ARG HN . 15219 1 522 . 1 1 116 116 ARG C C 13 177.8 0.1 . 1 . . . . 334 ARG CO . 15219 1 523 . 1 1 116 116 ARG CA C 13 59.6 0.2 . 1 . . . . 334 ARG CA . 15219 1 524 . 1 1 116 116 ARG CB C 13 29.9 0.2 . 1 . . . . 334 ARG CB . 15219 1 525 . 1 1 116 116 ARG N N 15 125.8 0.1 . 1 . . . . 334 ARG N . 15219 1 526 . 1 1 118 118 SER C C 13 176.6 0.1 . 1 . . . . 336 SER CO . 15219 1 527 . 1 1 118 118 SER CA C 13 60.2 0.2 . 1 . . . . 336 SER CA . 15219 1 528 . 1 1 118 118 SER CB C 13 61.4 0.2 . 1 . . . . 336 SER CB . 15219 1 529 . 1 1 119 119 ALA H H 1 7.22 0.01 . 1 . . . . 337 ALA HN . 15219 1 530 . 1 1 119 119 ALA C C 13 179.3 0.1 . 1 . . . . 337 ALA CO . 15219 1 531 . 1 1 119 119 ALA CA C 13 54.5 0.2 . 1 . . . . 337 ALA CA . 15219 1 532 . 1 1 119 119 ALA CB C 13 16.5 0.2 . 1 . . . . 337 ALA CB . 15219 1 533 . 1 1 119 119 ALA N N 15 123.9 0.1 . 1 . . . . 337 ALA N . 15219 1 534 . 1 1 120 120 HIS H H 1 8.22 0.01 . 1 . . . . 338 HIS HN . 15219 1 535 . 1 1 120 120 HIS C C 13 180.2 0.1 . 1 . . . . 338 HIS CO . 15219 1 536 . 1 1 120 120 HIS CA C 13 60.3 0.2 . 1 . . . . 338 HIS CA . 15219 1 537 . 1 1 120 120 HIS CB C 13 30.4 0.2 . 1 . . . . 338 HIS CB . 15219 1 538 . 1 1 120 120 HIS N N 15 117.0 0.1 . 1 . . . . 338 HIS N . 15219 1 539 . 1 1 121 121 SER H H 1 8.04 0.01 . 1 . . . . 339 SER HN . 15219 1 540 . 1 1 121 121 SER C C 13 174.7 0.1 . 1 . . . . 339 SER CO . 15219 1 541 . 1 1 121 121 SER CA C 13 61.1 0.2 . 1 . . . . 339 SER CA . 15219 1 542 . 1 1 121 121 SER CB C 13 62.2 0.2 . 1 . . . . 339 SER CB . 15219 1 543 . 1 1 121 121 SER N N 15 117.6 0.1 . 1 . . . . 339 SER N . 15219 1 544 . 1 1 122 122 ALA H H 1 7.31 0.01 . 1 . . . . 340 ALA HN . 15219 1 545 . 1 1 122 122 ALA C C 13 177.4 0.1 . 1 . . . . 340 ALA CO . 15219 1 546 . 1 1 122 122 ALA CA C 13 51.6 0.2 . 1 . . . . 340 ALA CA . 15219 1 547 . 1 1 122 122 ALA CB C 13 19.4 0.2 . 1 . . . . 340 ALA CB . 15219 1 548 . 1 1 122 122 ALA N N 15 121.2 0.1 . 1 . . . . 340 ALA N . 15219 1 549 . 1 1 123 123 GLY H H 1 7.49 0.01 . 1 . . . . 341 GLY HN . 15219 1 550 . 1 1 123 123 GLY C C 13 175.6 0.1 . 1 . . . . 341 GLY CO . 15219 1 551 . 1 1 123 123 GLY CA C 13 45.8 0.2 . 1 . . . . 341 GLY CA . 15219 1 552 . 1 1 123 123 GLY N N 15 104.9 0.1 . 1 . . . . 341 GLY N . 15219 1 553 . 1 1 124 124 VAL H H 1 7.46 0.01 . 1 . . . . 342 VAL HN . 15219 1 554 . 1 1 124 124 VAL C C 13 174.9 0.1 . 1 . . . . 342 VAL CO . 15219 1 555 . 1 1 124 124 VAL CA C 13 58.6 0.2 . 1 . . . . 342 VAL CA . 15219 1 556 . 1 1 124 124 VAL CB C 13 30.0 0.2 . 1 . . . . 342 VAL CB . 15219 1 557 . 1 1 124 124 VAL N N 15 112.1 0.1 . 1 . . . . 342 VAL N . 15219 1 558 . 1 1 125 125 GLY H H 1 8.43 0.01 . 1 . . . . 343 GLY HN . 15219 1 559 . 1 1 125 125 GLY C C 13 174.7 0.1 . 1 . . . . 343 GLY CO . 15219 1 560 . 1 1 125 125 GLY CA C 13 45.2 0.2 . 1 . . . . 343 GLY CA . 15219 1 561 . 1 1 125 125 GLY N N 15 110.2 0.1 . 1 . . . . 343 GLY N . 15219 1 562 . 1 1 127 127 ILE C C 13 175.8 0.1 . 1 . . . . 345 ILE CO . 15219 1 563 . 1 1 127 127 ILE CA C 13 59.7 0.2 . 1 . . . . 345 ILE CA . 15219 1 564 . 1 1 127 127 ILE CB C 13 43.7 0.2 . 1 . . . . 345 ILE CB . 15219 1 565 . 1 1 128 128 PHE H H 1 7.60 0.01 . 1 . . . . 346 PHE HN . 15219 1 566 . 1 1 128 128 PHE C C 13 177.3 0.1 . 1 . . . . 346 PHE CO . 15219 1 567 . 1 1 128 128 PHE CA C 13 62.1 0.2 . 1 . . . . 346 PHE CA . 15219 1 568 . 1 1 128 128 PHE CB C 13 38.1 0.2 . 1 . . . . 346 PHE CB . 15219 1 569 . 1 1 128 128 PHE N N 15 126.5 0.1 . 1 . . . . 346 PHE N . 15219 1 570 . 1 1 129 129 ASP H H 1 8.79 0.01 . 1 . . . . 347 ASP HN . 15219 1 571 . 1 1 129 129 ASP C C 13 180.0 0.1 . 1 . . . . 347 ASP CO . 15219 1 572 . 1 1 129 129 ASP CA C 13 57.1 0.2 . 1 . . . . 347 ASP CA . 15219 1 573 . 1 1 129 129 ASP CB C 13 39.2 0.2 . 1 . . . . 347 ASP CB . 15219 1 574 . 1 1 129 129 ASP N N 15 118.4 0.1 . 1 . . . . 347 ASP N . 15219 1 575 . 1 1 130 130 ARG H H 1 7.72 0.01 . 1 . . . . 348 ARG HN . 15219 1 576 . 1 1 130 130 ARG C C 13 178.8 0.1 . 1 . . . . 348 ARG CO . 15219 1 577 . 1 1 130 130 ARG CA C 13 60.4 0.2 . 1 . . . . 348 ARG CA . 15219 1 578 . 1 1 130 130 ARG CB C 13 28.7 0.2 . 1 . . . . 348 ARG CB . 15219 1 579 . 1 1 130 130 ARG N N 15 121.1 0.1 . 1 . . . . 348 ARG N . 15219 1 580 . 1 1 131 131 VAL H H 1 7.79 0.01 . 1 . . . . 349 VAL HN . 15219 1 581 . 1 1 131 131 VAL C C 13 179.1 0.1 . 1 . . . . 349 VAL CO . 15219 1 582 . 1 1 131 131 VAL CA C 13 66.7 0.2 . 1 . . . . 349 VAL CA . 15219 1 583 . 1 1 131 131 VAL CB C 13 29.6 0.2 . 1 . . . . 349 VAL CB . 15219 1 584 . 1 1 131 131 VAL N N 15 120.2 0.1 . 1 . . . . 349 VAL N . 15219 1 585 . 1 1 132 132 LEU H H 1 7.94 0.01 . 1 . . . . 350 LEU HN . 15219 1 586 . 1 1 132 132 LEU C C 13 179.3 0.1 . 1 . . . . 350 LEU CO . 15219 1 587 . 1 1 132 132 LEU CA C 13 57.8 0.2 . 1 . . . . 350 LEU CA . 15219 1 588 . 1 1 132 132 LEU CB C 13 40.0 0.2 . 1 . . . . 350 LEU CB . 15219 1 589 . 1 1 132 132 LEU N N 15 118.5 0.1 . 1 . . . . 350 LEU N . 15219 1 590 . 1 1 133 133 THR H H 1 8.59 0.01 . 1 . . . . 351 THR HN . 15219 1 591 . 1 1 133 133 THR C C 13 175.9 0.1 . 1 . . . . 351 THR CO . 15219 1 592 . 1 1 133 133 THR CA C 13 65.4 0.2 . 1 . . . . 351 THR CA . 15219 1 593 . 1 1 133 133 THR CB C 13 69.1 0.2 . 1 . . . . 351 THR CB . 15219 1 594 . 1 1 133 133 THR N N 15 114.8 0.1 . 1 . . . . 351 THR N . 15219 1 595 . 1 1 134 134 GLU H H 1 8.80 0.01 . 1 . . . . 352 GLU HN . 15219 1 596 . 1 1 134 134 GLU C C 13 176.6 0.1 . 1 . . . . 352 GLU CO . 15219 1 597 . 1 1 134 134 GLU CA C 13 57.4 0.2 . 1 . . . . 352 GLU CA . 15219 1 598 . 1 1 134 134 GLU CB C 13 29.4 0.2 . 1 . . . . 352 GLU CB . 15219 1 599 . 1 1 134 134 GLU N N 15 118.7 0.1 . 1 . . . . 352 GLU N . 15219 1 600 . 1 1 135 135 LEU H H 1 6.93 0.01 . 1 . . . . 353 LEU HN . 15219 1 601 . 1 1 135 135 LEU C C 13 176.3 0.1 . 1 . . . . 353 LEU CO . 15219 1 602 . 1 1 135 135 LEU CA C 13 55.1 0.2 . 1 . . . . 353 LEU CA . 15219 1 603 . 1 1 135 135 LEU CB C 13 41.8 0.2 . 1 . . . . 353 LEU CB . 15219 1 604 . 1 1 135 135 LEU N N 15 113.0 0.1 . 1 . . . . 353 LEU N . 15219 1 605 . 1 1 136 136 VAL H H 1 8.36 0.01 . 1 . . . . 354 VAL HN . 15219 1 606 . 1 1 136 136 VAL C C 13 178.8 0.1 . 1 . . . . 354 VAL CO . 15219 1 607 . 1 1 136 136 VAL CA C 13 67.3 0.2 . 1 . . . . 354 VAL CA . 15219 1 608 . 1 1 136 136 VAL CB C 13 30.8 0.2 . 1 . . . . 354 VAL CB . 15219 1 609 . 1 1 136 136 VAL N N 15 120.0 0.1 . 1 . . . . 354 VAL N . 15219 1 610 . 1 1 137 137 SER H H 1 8.60 0.01 . 1 . . . . 355 SER HN . 15219 1 611 . 1 1 137 137 SER C C 13 175.9 0.1 . 1 . . . . 355 SER CO . 15219 1 612 . 1 1 137 137 SER CA C 13 61.8 0.2 . 1 . . . . 355 SER CA . 15219 1 613 . 1 1 137 137 SER CB C 13 63.5 0.2 . 1 . . . . 355 SER CB . 15219 1 614 . 1 1 137 137 SER N N 15 111.5 0.1 . 1 . . . . 355 SER N . 15219 1 615 . 1 1 138 138 LYS H H 1 6.08 0.01 . 1 . . . . 356 LYS HN . 15219 1 616 . 1 1 138 138 LYS C C 13 179.5 0.1 . 1 . . . . 356 LYS CO . 15219 1 617 . 1 1 138 138 LYS CA C 13 56.9 0.2 . 1 . . . . 356 LYS CA . 15219 1 618 . 1 1 138 138 LYS CB C 13 30.1 0.2 . 1 . . . . 356 LYS CB . 15219 1 619 . 1 1 138 138 LYS N N 15 117.6 0.1 . 1 . . . . 356 LYS N . 15219 1 620 . 1 1 139 139 MET H H 1 8.39 0.01 . 1 . . . . 357 MET HN . 15219 1 621 . 1 1 139 139 MET C C 13 177.6 0.1 . 1 . . . . 357 MET CO . 15219 1 622 . 1 1 139 139 MET CA C 13 60.1 0.2 . 1 . . . . 357 MET CA . 15219 1 623 . 1 1 139 139 MET CB C 13 31.6 0.2 . 1 . . . . 357 MET CB . 15219 1 624 . 1 1 139 139 MET N N 15 119.7 0.1 . 1 . . . . 357 MET N . 15219 1 625 . 1 1 140 140 ARG H H 1 8.41 0.01 . 1 . . . . 358 ARG HN . 15219 1 626 . 1 1 140 140 ARG C C 13 180.0 0.1 . 1 . . . . 358 ARG CO . 15219 1 627 . 1 1 140 140 ARG CA C 13 58.7 0.2 . 1 . . . . 358 ARG CA . 15219 1 628 . 1 1 140 140 ARG CB C 13 29.2 0.2 . 1 . . . . 358 ARG CB . 15219 1 629 . 1 1 140 140 ARG N N 15 119.7 0.1 . 1 . . . . 358 ARG N . 15219 1 630 . 1 1 141 141 ASP H H 1 8.53 0.01 . 1 . . . . 359 ASP HN . 15219 1 631 . 1 1 141 141 ASP C C 13 178.0 0.1 . 1 . . . . 359 ASP CO . 15219 1 632 . 1 1 141 141 ASP CA C 13 57.1 0.2 . 1 . . . . 359 ASP CA . 15219 1 633 . 1 1 141 141 ASP CB C 13 39.8 0.2 . 1 . . . . 359 ASP CB . 15219 1 634 . 1 1 141 141 ASP N N 15 121.5 0.1 . 1 . . . . 359 ASP N . 15219 1 635 . 1 1 142 142 MET H H 1 7.45 0.01 . 1 . . . . 360 MET HN . 15219 1 636 . 1 1 142 142 MET C C 13 175.1 0.1 . 1 . . . . 360 MET CO . 15219 1 637 . 1 1 142 142 MET CA C 13 54.9 0.2 . 1 . . . . 360 MET CA . 15219 1 638 . 1 1 142 142 MET CB C 13 33.2 0.2 . 1 . . . . 360 MET CB . 15219 1 639 . 1 1 142 142 MET N N 15 113.9 0.1 . 1 . . . . 360 MET N . 15219 1 640 . 1 1 143 143 GLN H H 1 7.84 0.01 . 1 . . . . 361 GLN HN . 15219 1 641 . 1 1 143 143 GLN C C 13 176.1 0.1 . 1 . . . . 361 GLN CO . 15219 1 642 . 1 1 143 143 GLN CA C 13 55.9 0.2 . 1 . . . . 361 GLN CA . 15219 1 643 . 1 1 143 143 GLN CB C 13 25.5 0.2 . 1 . . . . 361 GLN CB . 15219 1 644 . 1 1 143 143 GLN N N 15 120.0 0.1 . 1 . . . . 361 GLN N . 15219 1 645 . 1 1 144 144 MET H H 1 7.86 0.01 . 1 . . . . 362 MET HN . 15219 1 646 . 1 1 144 144 MET C C 13 177.0 0.1 . 1 . . . . 362 MET CO . 15219 1 647 . 1 1 144 144 MET CA C 13 56.4 0.2 . 1 . . . . 362 MET CA . 15219 1 648 . 1 1 144 144 MET CB C 13 34.1 0.2 . 1 . . . . 362 MET CB . 15219 1 649 . 1 1 144 144 MET N N 15 119.7 0.1 . 1 . . . . 362 MET N . 15219 1 650 . 1 1 145 145 ASP H H 1 10.50 0.01 . 1 . . . . 363 ASP HN . 15219 1 651 . 1 1 145 145 ASP C C 13 176.3 0.1 . 1 . . . . 363 ASP CO . 15219 1 652 . 1 1 145 145 ASP CA C 13 52.6 0.2 . 1 . . . . 363 ASP CA . 15219 1 653 . 1 1 145 145 ASP CB C 13 41.4 0.2 . 1 . . . . 363 ASP CB . 15219 1 654 . 1 1 145 145 ASP N N 15 136.7 0.1 . 1 . . . . 363 ASP N . 15219 1 655 . 1 1 146 146 LYS H H 1 8.36 0.01 . 1 . . . . 364 LYS HN . 15219 1 656 . 1 1 146 146 LYS C C 13 178.9 0.1 . 1 . . . . 364 LYS CO . 15219 1 657 . 1 1 146 146 LYS CA C 13 59.1 0.2 . 1 . . . . 364 LYS CA . 15219 1 658 . 1 1 146 146 LYS CB C 13 32.1 0.2 . 1 . . . . 364 LYS CB . 15219 1 659 . 1 1 146 146 LYS N N 15 116.0 0.1 . 1 . . . . 364 LYS N . 15219 1 660 . 1 1 147 147 THR H H 1 8.08 0.01 . 1 . . . . 365 THR HN . 15219 1 661 . 1 1 147 147 THR C C 13 176.6 0.1 . 1 . . . . 365 THR CO . 15219 1 662 . 1 1 147 147 THR CA C 13 67.4 0.2 . 1 . . . . 365 THR CA . 15219 1 663 . 1 1 147 147 THR CB C 13 68.9 0.2 . 1 . . . . 365 THR CB . 15219 1 664 . 1 1 147 147 THR N N 15 120.2 0.1 . 1 . . . . 365 THR N . 15219 1 665 . 1 1 148 148 GLU H H 1 8.80 0.01 . 1 . . . . 366 GLU HN . 15219 1 666 . 1 1 148 148 GLU C C 13 178.6 0.1 . 1 . . . . 366 GLU CO . 15219 1 667 . 1 1 148 148 GLU CA C 13 59.7 0.2 . 1 . . . . 366 GLU CA . 15219 1 668 . 1 1 148 148 GLU CB C 13 29.6 0.2 . 1 . . . . 366 GLU CB . 15219 1 669 . 1 1 148 148 GLU N N 15 124.7 0.1 . 1 . . . . 366 GLU N . 15219 1 670 . 1 1 149 149 LEU H H 1 8.13 0.01 . 1 . . . . 367 LEU HN . 15219 1 671 . 1 1 149 149 LEU C C 13 178.7 0.1 . 1 . . . . 367 LEU CO . 15219 1 672 . 1 1 149 149 LEU CA C 13 57.2 0.2 . 1 . . . . 367 LEU CA . 15219 1 673 . 1 1 149 149 LEU CB C 13 39.7 0.2 . 1 . . . . 367 LEU CB . 15219 1 674 . 1 1 149 149 LEU N N 15 118.6 0.1 . 1 . . . . 367 LEU N . 15219 1 675 . 1 1 150 150 GLY H H 1 8.14 0.01 . 1 . . . . 368 GLY HN . 15219 1 676 . 1 1 150 150 GLY C C 13 176.4 0.1 . 1 . . . . 368 GLY CO . 15219 1 677 . 1 1 150 150 GLY CA C 13 47.2 0.2 . 1 . . . . 368 GLY CA . 15219 1 678 . 1 1 150 150 GLY N N 15 106.8 0.1 . 1 . . . . 368 GLY N . 15219 1 679 . 1 1 151 151 CYS H H 1 8.40 0.01 . 1 . . . . 369 CYS HN . 15219 1 680 . 1 1 151 151 CYS C C 13 176.9 0.1 . 1 . . . . 369 CYS CO . 15219 1 681 . 1 1 151 151 CYS CA C 13 63.6 0.2 . 1 . . . . 369 CYS CA . 15219 1 682 . 1 1 151 151 CYS CB C 13 29.2 0.2 . 1 . . . . 369 CYS CB . 15219 1 683 . 1 1 151 151 CYS N N 15 118.8 0.1 . 1 . . . . 369 CYS N . 15219 1 684 . 1 1 152 152 LEU H H 1 8.55 0.01 . 1 . . . . 370 LEU HN . 15219 1 685 . 1 1 152 152 LEU C C 13 179.1 0.1 . 1 . . . . 370 LEU CO . 15219 1 686 . 1 1 152 152 LEU CA C 13 58.4 0.2 . 1 . . . . 370 LEU CA . 15219 1 687 . 1 1 152 152 LEU CB C 13 41.0 0.2 . 1 . . . . 370 LEU CB . 15219 1 688 . 1 1 152 152 LEU N N 15 121.4 0.1 . 1 . . . . 370 LEU N . 15219 1 689 . 1 1 153 153 ARG H H 1 8.54 0.01 . 1 . . . . 371 ARG HN . 15219 1 690 . 1 1 153 153 ARG C C 13 177.6 0.1 . 1 . . . . 371 ARG CO . 15219 1 691 . 1 1 153 153 ARG CA C 13 60.7 0.2 . 1 . . . . 371 ARG CA . 15219 1 692 . 1 1 153 153 ARG CB C 13 29.1 0.2 . 1 . . . . 371 ARG CB . 15219 1 693 . 1 1 153 153 ARG N N 15 116.8 0.1 . 1 . . . . 371 ARG N . 15219 1 694 . 1 1 154 154 ALA H H 1 8.76 0.01 . 1 . . . . 372 ALA HN . 15219 1 695 . 1 1 154 154 ALA C C 13 178.3 0.1 . 1 . . . . 372 ALA CO . 15219 1 696 . 1 1 154 154 ALA CA C 13 54.9 0.2 . 1 . . . . 372 ALA CA . 15219 1 697 . 1 1 154 154 ALA CB C 13 17.6 0.2 . 1 . . . . 372 ALA CB . 15219 1 698 . 1 1 154 154 ALA N N 15 123.2 0.1 . 1 . . . . 372 ALA N . 15219 1 699 . 1 1 155 155 ILE H H 1 8.28 0.01 . 1 . . . . 373 ILE HN . 15219 1 700 . 1 1 155 155 ILE C C 13 178.6 0.1 . 1 . . . . 373 ILE CO . 15219 1 701 . 1 1 155 155 ILE CA C 13 66.5 0.2 . 1 . . . . 373 ILE CA . 15219 1 702 . 1 1 155 155 ILE CB C 13 38.4 0.2 . 1 . . . . 373 ILE CB . 15219 1 703 . 1 1 155 155 ILE N N 15 119.9 0.1 . 1 . . . . 373 ILE N . 15219 1 704 . 1 1 156 156 VAL H H 1 8.76 0.01 . 1 . . . . 374 VAL HN . 15219 1 705 . 1 1 156 156 VAL C C 13 176.4 0.1 . 1 . . . . 374 VAL CO . 15219 1 706 . 1 1 156 156 VAL CA C 13 65.3 0.2 . 1 . . . . 374 VAL CA . 15219 1 707 . 1 1 156 156 VAL N N 15 109.8 0.1 . 1 . . . . 374 VAL N . 15219 1 708 . 1 1 157 157 LEU H H 1 7.95 0.01 . 1 . . . . 375 LEU HN . 15219 1 709 . 1 1 157 157 LEU C C 13 178.5 0.1 . 1 . . . . 375 LEU CO . 15219 1 710 . 1 1 157 157 LEU CA C 13 57.7 0.2 . 1 . . . . 375 LEU CA . 15219 1 711 . 1 1 157 157 LEU CB C 13 41.1 0.2 . 1 . . . . 375 LEU CB . 15219 1 712 . 1 1 157 157 LEU N N 15 123.8 0.1 . 1 . . . . 375 LEU N . 15219 1 713 . 1 1 158 158 PHE H H 1 7.23 0.01 . 1 . . . . 376 PHE HN . 15219 1 714 . 1 1 158 158 PHE C C 13 181.3 0.1 . 1 . . . . 376 PHE CO . 15219 1 715 . 1 1 158 158 PHE CA C 13 56.8 0.2 . 1 . . . . 376 PHE CA . 15219 1 716 . 1 1 158 158 PHE CB C 13 39.8 0.2 . 1 . . . . 376 PHE CB . 15219 1 717 . 1 1 158 158 PHE N N 15 115.3 0.1 . 1 . . . . 376 PHE N . 15219 1 718 . 1 1 159 159 ASN H H 1 8.22 0.01 . 1 . . . . 377 ASN HN . 15219 1 719 . 1 1 159 159 ASN C C 13 177.4 0.1 . 1 . . . . 377 ASN CO . 15219 1 720 . 1 1 159 159 ASN CA C 13 55.6 0.2 . 1 . . . . 377 ASN CA . 15219 1 721 . 1 1 159 159 ASN CB C 13 39.3 0.2 . 1 . . . . 377 ASN CB . 15219 1 722 . 1 1 159 159 ASN N N 15 119.1 0.1 . 1 . . . . 377 ASN N . 15219 1 723 . 1 1 160 160 PRO C C 13 175.6 0.1 . 1 . . . . 378 PRO CO . 15219 1 724 . 1 1 160 160 PRO CA C 13 62.9 0.2 . 1 . . . . 378 PRO CA . 15219 1 725 . 1 1 160 160 PRO CB C 13 31.6 0.2 . 1 . . . . 378 PRO CB . 15219 1 726 . 1 1 161 161 ASP H H 1 7.80 0.01 . 1 . . . . 379 ASP HN . 15219 1 727 . 1 1 161 161 ASP C C 13 176.6 0.1 . 1 . . . . 379 ASP CO . 15219 1 728 . 1 1 161 161 ASP CA C 13 54.4 0.2 . 1 . . . . 379 ASP CA . 15219 1 729 . 1 1 161 161 ASP CB C 13 40.7 0.2 . 1 . . . . 379 ASP CB . 15219 1 730 . 1 1 161 161 ASP N N 15 119.2 0.1 . 1 . . . . 379 ASP N . 15219 1 731 . 1 1 162 162 SER H H 1 7.00 0.01 . 1 . . . . 380 SER HN . 15219 1 732 . 1 1 162 162 SER C C 13 174.0 0.1 . 1 . . . . 380 SER CO . 15219 1 733 . 1 1 162 162 SER CA C 13 59.6 0.2 . 1 . . . . 380 SER CA . 15219 1 734 . 1 1 162 162 SER CB C 13 62.6 0.2 . 1 . . . . 380 SER CB . 15219 1 735 . 1 1 162 162 SER N N 15 117.5 0.1 . 1 . . . . 380 SER N . 15219 1 736 . 1 1 163 163 LYS H H 1 8.67 0.01 . 1 . . . . 381 LYS HN . 15219 1 737 . 1 1 163 163 LYS C C 13 177.7 0.1 . 1 . . . . 381 LYS CO . 15219 1 738 . 1 1 163 163 LYS CA C 13 57.1 0.2 . 1 . . . . 381 LYS CA . 15219 1 739 . 1 1 163 163 LYS CB C 13 31.2 0.2 . 1 . . . . 381 LYS CB . 15219 1 740 . 1 1 163 163 LYS N N 15 128.6 0.1 . 1 . . . . 381 LYS N . 15219 1 741 . 1 1 164 164 GLY H H 1 8.78 0.01 . 1 . . . . 382 GLY HN . 15219 1 742 . 1 1 164 164 GLY C C 13 174.9 0.1 . 1 . . . . 382 GLY CO . 15219 1 743 . 1 1 164 164 GLY CA C 13 44.5 0.2 . 1 . . . . 382 GLY CA . 15219 1 744 . 1 1 164 164 GLY N N 15 110.9 0.1 . 1 . . . . 382 GLY N . 15219 1 745 . 1 1 165 165 LEU H H 1 6.75 0.01 . 1 . . . . 383 LEU HN . 15219 1 746 . 1 1 165 165 LEU C C 13 178.2 0.1 . 1 . . . . 383 LEU CO . 15219 1 747 . 1 1 165 165 LEU CA C 13 54.5 0.2 . 1 . . . . 383 LEU CA . 15219 1 748 . 1 1 165 165 LEU CB C 13 42.1 0.2 . 1 . . . . 383 LEU CB . 15219 1 749 . 1 1 165 165 LEU N N 15 119.7 0.1 . 1 . . . . 383 LEU N . 15219 1 750 . 1 1 166 166 SER H H 1 10.85 0.01 . 1 . . . . 384 SER HN . 15219 1 751 . 1 1 166 166 SER C C 13 176.4 0.1 . 1 . . . . 384 SER CO . 15219 1 752 . 1 1 166 166 SER CA C 13 60.9 0.2 . 1 . . . . 384 SER CA . 15219 1 753 . 1 1 166 166 SER CB C 13 62.3 0.2 . 1 . . . . 384 SER CB . 15219 1 754 . 1 1 166 166 SER N N 15 123.4 0.1 . 1 . . . . 384 SER N . 15219 1 755 . 1 1 167 167 ASN H H 1 8.35 0.01 . 1 . . . . 385 ASN HN . 15219 1 756 . 1 1 167 167 ASN C C 13 173.3 0.1 . 1 . . . . 385 ASN CO . 15219 1 757 . 1 1 167 167 ASN CA C 13 50.5 0.2 . 1 . . . . 385 ASN CA . 15219 1 758 . 1 1 167 167 ASN CB C 13 37.2 0.2 . 1 . . . . 385 ASN CB . 15219 1 759 . 1 1 167 167 ASN N N 15 118.7 0.1 . 1 . . . . 385 ASN N . 15219 1 760 . 1 1 168 168 PRO C C 13 177.7 0.1 . 1 . . . . 386 PRO CO . 15219 1 761 . 1 1 168 168 PRO CA C 13 65.3 0.2 . 1 . . . . 386 PRO CA . 15219 1 762 . 1 1 168 168 PRO CB C 13 31.0 0.2 . 1 . . . . 386 PRO CB . 15219 1 763 . 1 1 169 169 ALA H H 1 7.97 0.01 . 1 . . . . 387 ALA HN . 15219 1 764 . 1 1 169 169 ALA C C 13 181.1 0.1 . 1 . . . . 387 ALA CO . 15219 1 765 . 1 1 169 169 ALA CA C 13 54.7 0.2 . 1 . . . . 387 ALA CA . 15219 1 766 . 1 1 169 169 ALA CB C 13 17.3 0.2 . 1 . . . . 387 ALA CB . 15219 1 767 . 1 1 169 169 ALA N N 15 119.9 0.1 . 1 . . . . 387 ALA N . 15219 1 768 . 1 1 170 170 GLU H H 1 7.48 0.01 . 1 . . . . 388 GLU HN . 15219 1 769 . 1 1 170 170 GLU C C 13 178.7 0.1 . 1 . . . . 388 GLU CO . 15219 1 770 . 1 1 170 170 GLU CA C 13 58.1 0.2 . 1 . . . . 388 GLU CA . 15219 1 771 . 1 1 170 170 GLU CB C 13 28.9 0.2 . 1 . . . . 388 GLU CB . 15219 1 772 . 1 1 170 170 GLU N N 15 120.4 0.1 . 1 . . . . 388 GLU N . 15219 1 773 . 1 1 171 171 VAL H H 1 6.94 0.01 . 1 . . . . 389 VAL HN . 15219 1 774 . 1 1 171 171 VAL C C 13 177.3 0.1 . 1 . . . . 389 VAL CO . 15219 1 775 . 1 1 171 171 VAL CA C 13 66.5 0.2 . 1 . . . . 389 VAL CA . 15219 1 776 . 1 1 171 171 VAL CB C 13 30.7 0.2 . 1 . . . . 389 VAL CB . 15219 1 777 . 1 1 171 171 VAL N N 15 119.7 0.1 . 1 . . . . 389 VAL N . 15219 1 778 . 1 1 172 172 GLU H H 1 8.50 0.01 . 1 . . . . 390 GLU HN . 15219 1 779 . 1 1 172 172 GLU C C 13 177.8 0.1 . 1 . . . . 390 GLU CO . 15219 1 780 . 1 1 172 172 GLU CA C 13 59.3 0.2 . 1 . . . . 390 GLU CA . 15219 1 781 . 1 1 172 172 GLU CB C 13 28.8 0.2 . 1 . . . . 390 GLU CB . 15219 1 782 . 1 1 172 172 GLU N N 15 121.8 0.1 . 1 . . . . 390 GLU N . 15219 1 783 . 1 1 173 173 ALA H H 1 7.72 0.01 . 1 . . . . 391 ALA HN . 15219 1 784 . 1 1 173 173 ALA C C 13 180.6 0.1 . 1 . . . . 391 ALA CO . 15219 1 785 . 1 1 173 173 ALA CA C 13 54.4 0.2 . 1 . . . . 391 ALA CA . 15219 1 786 . 1 1 173 173 ALA CB C 13 17.2 0.2 . 1 . . . . 391 ALA CB . 15219 1 787 . 1 1 173 173 ALA N N 15 121.1 0.1 . 1 . . . . 391 ALA N . 15219 1 788 . 1 1 174 174 LEU H H 1 7.36 0.01 . 1 . . . . 392 LEU HN . 15219 1 789 . 1 1 174 174 LEU C C 13 178.3 0.1 . 1 . . . . 392 LEU CO . 15219 1 790 . 1 1 174 174 LEU CA C 13 57.4 0.2 . 1 . . . . 392 LEU CA . 15219 1 791 . 1 1 174 174 LEU CB C 13 38.7 0.2 . 1 . . . . 392 LEU CB . 15219 1 792 . 1 1 174 174 LEU N N 15 120.1 0.1 . 1 . . . . 392 LEU N . 15219 1 793 . 1 1 175 175 ARG H H 1 8.03 0.01 . 1 . . . . 393 ARG HN . 15219 1 794 . 1 1 175 175 ARG C C 13 177.1 0.1 . 1 . . . . 393 ARG CO . 15219 1 795 . 1 1 175 175 ARG CA C 13 60.1 0.2 . 1 . . . . 393 ARG CA . 15219 1 796 . 1 1 175 175 ARG CB C 13 29.7 0.2 . 1 . . . . 393 ARG CB . 15219 1 797 . 1 1 175 175 ARG N N 15 120.5 0.1 . 1 . . . . 393 ARG N . 15219 1 798 . 1 1 176 176 GLU H H 1 7.97 0.01 . 1 . . . . 394 GLU HN . 15219 1 799 . 1 1 176 176 GLU C C 13 178.5 0.1 . 1 . . . . 394 GLU CO . 15219 1 800 . 1 1 176 176 GLU CA C 13 57.6 0.2 . 1 . . . . 394 GLU CA . 15219 1 801 . 1 1 176 176 GLU CB C 13 27.9 0.2 . 1 . . . . 394 GLU CB . 15219 1 802 . 1 1 176 176 GLU N N 15 118.0 0.1 . 1 . . . . 394 GLU N . 15219 1 803 . 1 1 177 177 LYS H H 1 7.52 0.01 . 1 . . . . 395 LYS HN . 15219 1 804 . 1 1 177 177 LYS C C 13 180.1 0.1 . 1 . . . . 395 LYS CO . 15219 1 805 . 1 1 177 177 LYS CA C 13 58.9 0.2 . 1 . . . . 395 LYS CA . 15219 1 806 . 1 1 177 177 LYS CB C 13 31.7 0.2 . 1 . . . . 395 LYS CB . 15219 1 807 . 1 1 177 177 LYS N N 15 119.0 0.1 . 1 . . . . 395 LYS N . 15219 1 808 . 1 1 178 178 VAL H H 1 7.87 0.01 . 1 . . . . 396 VAL HN . 15219 1 809 . 1 1 178 178 VAL C C 13 178.7 0.1 . 1 . . . . 396 VAL CO . 15219 1 810 . 1 1 178 178 VAL CA C 13 66.5 0.2 . 1 . . . . 396 VAL CA . 15219 1 811 . 1 1 178 178 VAL CB C 13 31.9 0.2 . 1 . . . . 396 VAL CB . 15219 1 812 . 1 1 178 178 VAL N N 15 118.1 0.1 . 1 . . . . 396 VAL N . 15219 1 813 . 1 1 179 179 TYR H H 1 8.78 0.01 . 1 . . . . 397 TYR HN . 15219 1 814 . 1 1 179 179 TYR C C 13 178.1 0.1 . 1 . . . . 397 TYR CO . 15219 1 815 . 1 1 179 179 TYR CA C 13 60.2 0.2 . 1 . . . . 397 TYR CA . 15219 1 816 . 1 1 179 179 TYR CB C 13 36.4 0.2 . 1 . . . . 397 TYR CB . 15219 1 817 . 1 1 179 179 TYR N N 15 117.4 0.1 . 1 . . . . 397 TYR N . 15219 1 818 . 1 1 180 180 ALA H H 1 8.51 0.01 . 1 . . . . 398 ALA HN . 15219 1 819 . 1 1 180 180 ALA C C 13 181.6 0.1 . 1 . . . . 398 ALA CO . 15219 1 820 . 1 1 180 180 ALA CA C 13 55.0 0.2 . 1 . . . . 398 ALA CA . 15219 1 821 . 1 1 180 180 ALA CB C 13 17.5 0.2 . 1 . . . . 398 ALA CB . 15219 1 822 . 1 1 180 180 ALA N N 15 127.6 0.1 . 1 . . . . 398 ALA N . 15219 1 823 . 1 1 181 181 SER H H 1 7.82 0.01 . 1 . . . . 399 SER HN . 15219 1 824 . 1 1 181 181 SER C C 13 177.5 0.1 . 1 . . . . 399 SER CO . 15219 1 825 . 1 1 181 181 SER CA C 13 61.3 0.2 . 1 . . . . 399 SER CA . 15219 1 826 . 1 1 181 181 SER CB C 13 62.5 0.2 . 1 . . . . 399 SER CB . 15219 1 827 . 1 1 181 181 SER N N 15 118.1 0.1 . 1 . . . . 399 SER N . 15219 1 828 . 1 1 182 182 LEU H H 1 9.05 0.01 . 1 . . . . 400 LEU HN . 15219 1 829 . 1 1 182 182 LEU C C 13 176.9 0.1 . 1 . . . . 400 LEU CO . 15219 1 830 . 1 1 182 182 LEU CA C 13 57.7 0.2 . 1 . . . . 400 LEU CA . 15219 1 831 . 1 1 182 182 LEU CB C 13 41.0 0.2 . 1 . . . . 400 LEU CB . 15219 1 832 . 1 1 182 182 LEU N N 15 124.8 0.1 . 1 . . . . 400 LEU N . 15219 1 833 . 1 1 183 183 GLU H H 1 8.43 0.01 . 1 . . . . 401 GLU HN . 15219 1 834 . 1 1 183 183 GLU C C 13 178.1 0.1 . 1 . . . . 401 GLU CO . 15219 1 835 . 1 1 183 183 GLU CA C 13 60.4 0.2 . 1 . . . . 401 GLU CA . 15219 1 836 . 1 1 183 183 GLU CB C 13 27.2 0.2 . 1 . . . . 401 GLU CB . 15219 1 837 . 1 1 183 183 GLU N N 15 121.1 0.1 . 1 . . . . 401 GLU N . 15219 1 838 . 1 1 184 184 ALA H H 1 7.39 0.01 . 1 . . . . 402 ALA HN . 15219 1 839 . 1 1 184 184 ALA C C 13 180.4 0.1 . 1 . . . . 402 ALA CO . 15219 1 840 . 1 1 184 184 ALA CA C 13 54.5 0.2 . 1 . . . . 402 ALA CA . 15219 1 841 . 1 1 184 184 ALA CB C 13 17.2 0.2 . 1 . . . . 402 ALA CB . 15219 1 842 . 1 1 184 184 ALA N N 15 119.1 0.1 . 1 . . . . 402 ALA N . 15219 1 843 . 1 1 185 185 TYR H H 1 8.15 0.01 . 1 . . . . 403 TYR HN . 15219 1 844 . 1 1 185 185 TYR C C 13 177.6 0.1 . 1 . . . . 403 TYR CO . 15219 1 845 . 1 1 185 185 TYR CA C 13 61.5 0.2 . 1 . . . . 403 TYR CA . 15219 1 846 . 1 1 185 185 TYR CB C 13 37.8 0.2 . 1 . . . . 403 TYR CB . 15219 1 847 . 1 1 185 185 TYR N N 15 121.1 0.1 . 1 . . . . 403 TYR N . 15219 1 848 . 1 1 186 186 CYS H H 1 9.22 0.01 . 1 . . . . 404 CYS HN . 15219 1 849 . 1 1 186 186 CYS C C 13 178.4 0.1 . 1 . . . . 404 CYS CO . 15219 1 850 . 1 1 186 186 CYS CA C 13 64.7 0.2 . 1 . . . . 404 CYS CA . 15219 1 851 . 1 1 186 186 CYS CB C 13 26.6 0.2 . 1 . . . . 404 CYS CB . 15219 1 852 . 1 1 186 186 CYS N N 15 119.6 0.1 . 1 . . . . 404 CYS N . 15219 1 853 . 1 1 187 187 LYS H H 1 8.24 0.01 . 1 . . . . 405 LYS HN . 15219 1 854 . 1 1 187 187 LYS C C 13 177.4 0.1 . 1 . . . . 405 LYS CO . 15219 1 855 . 1 1 187 187 LYS CA C 13 58.8 0.2 . 1 . . . . 405 LYS CA . 15219 1 856 . 1 1 187 187 LYS CB C 13 31.4 0.2 . 1 . . . . 405 LYS CB . 15219 1 857 . 1 1 187 187 LYS N N 15 119.7 0.1 . 1 . . . . 405 LYS N . 15219 1 858 . 1 1 188 188 HIS H H 1 7.52 0.01 . 1 . . . . 406 HIS HN . 15219 1 859 . 1 1 188 188 HIS C C 13 176.9 0.1 . 1 . . . . 406 HIS CO . 15219 1 860 . 1 1 188 188 HIS CA C 13 57.7 0.2 . 1 . . . . 406 HIS CA . 15219 1 861 . 1 1 188 188 HIS CB C 13 30.3 0.2 . 1 . . . . 406 HIS CB . 15219 1 862 . 1 1 188 188 HIS N N 15 117.1 0.1 . 1 . . . . 406 HIS N . 15219 1 863 . 1 1 189 189 LYS H H 1 8.33 0.01 . 1 . . . . 407 LYS HN . 15219 1 864 . 1 1 189 189 LYS C C 13 176.1 0.1 . 1 . . . . 407 LYS CO . 15219 1 865 . 1 1 189 189 LYS CA C 13 56.1 0.2 . 1 . . . . 407 LYS CA . 15219 1 866 . 1 1 189 189 LYS CB C 13 31.7 0.2 . 1 . . . . 407 LYS CB . 15219 1 867 . 1 1 189 189 LYS N N 15 119.7 0.1 . 1 . . . . 407 LYS N . 15219 1 868 . 1 1 190 190 TYR H H 1 7.70 0.01 . 1 . . . . 408 TYR HN . 15219 1 869 . 1 1 190 190 TYR C C 13 174.4 0.1 . 1 . . . . 408 TYR CO . 15219 1 870 . 1 1 190 190 TYR CA C 13 53.8 0.2 . 1 . . . . 408 TYR CA . 15219 1 871 . 1 1 190 190 TYR CB C 13 37.4 0.2 . 1 . . . . 408 TYR CB . 15219 1 872 . 1 1 190 190 TYR N N 15 115.7 0.1 . 1 . . . . 408 TYR N . 15219 1 873 . 1 1 191 191 PRO C C 13 178.4 0.1 . 1 . . . . 409 PRO CO . 15219 1 874 . 1 1 191 191 PRO CA C 13 64.6 0.2 . 1 . . . . 409 PRO CA . 15219 1 875 . 1 1 191 191 PRO CB C 13 30.7 0.2 . 1 . . . . 409 PRO CB . 15219 1 876 . 1 1 192 192 GLU H H 1 9.30 0.01 . 1 . . . . 410 GLU HN . 15219 1 877 . 1 1 192 192 GLU C C 13 175.4 0.1 . 1 . . . . 410 GLU CO . 15219 1 878 . 1 1 192 192 GLU CA C 13 55.9 0.2 . 1 . . . . 410 GLU CA . 15219 1 879 . 1 1 192 192 GLU CB C 13 27.5 0.2 . 1 . . . . 410 GLU CB . 15219 1 880 . 1 1 192 192 GLU N N 15 118.6 0.1 . 1 . . . . 410 GLU N . 15219 1 881 . 1 1 193 193 GLN H H 1 7.79 0.01 . 1 . . . . 411 GLN HN . 15219 1 882 . 1 1 193 193 GLN C C 13 173.8 0.1 . 1 . . . . 411 GLN CO . 15219 1 883 . 1 1 193 193 GLN CA C 13 52.4 0.2 . 1 . . . . 411 GLN CA . 15219 1 884 . 1 1 193 193 GLN CB C 13 29.6 0.2 . 1 . . . . 411 GLN CB . 15219 1 885 . 1 1 193 193 GLN N N 15 120.3 0.1 . 1 . . . . 411 GLN N . 15219 1 886 . 1 1 195 195 GLY C C 13 174.3 0.1 . 1 . . . . 413 GLY CO . 15219 1 887 . 1 1 195 195 GLY CA C 13 45.5 0.2 . 1 . . . . 413 GLY CA . 15219 1 888 . 1 1 196 196 ARG H H 1 7.67 0.01 . 1 . . . . 414 ARG HN . 15219 1 889 . 1 1 196 196 ARG C C 13 176.7 0.1 . 1 . . . . 414 ARG CO . 15219 1 890 . 1 1 196 196 ARG CA C 13 60.0 0.2 . 1 . . . . 414 ARG CA . 15219 1 891 . 1 1 196 196 ARG CB C 13 30.5 0.2 . 1 . . . . 414 ARG CB . 15219 1 892 . 1 1 196 196 ARG N N 15 124.1 0.1 . 1 . . . . 414 ARG N . 15219 1 893 . 1 1 197 197 PHE H H 1 8.93 0.01 . 1 . . . . 415 PHE HN . 15219 1 894 . 1 1 197 197 PHE C C 13 176.2 0.1 . 1 . . . . 415 PHE CO . 15219 1 895 . 1 1 197 197 PHE CA C 13 60.0 0.2 . 1 . . . . 415 PHE CA . 15219 1 896 . 1 1 197 197 PHE CB C 13 38.4 0.2 . 1 . . . . 415 PHE CB . 15219 1 897 . 1 1 197 197 PHE N N 15 118.7 0.1 . 1 . . . . 415 PHE N . 15219 1 898 . 1 1 198 198 ALA H H 1 7.98 0.01 . 1 . . . . 416 ALA HN . 15219 1 899 . 1 1 198 198 ALA C C 13 178.4 0.1 . 1 . . . . 416 ALA CO . 15219 1 900 . 1 1 198 198 ALA CA C 13 54.5 0.2 . 1 . . . . 416 ALA CA . 15219 1 901 . 1 1 198 198 ALA CB C 13 17.3 0.2 . 1 . . . . 416 ALA CB . 15219 1 902 . 1 1 198 198 ALA N N 15 120.2 0.1 . 1 . . . . 416 ALA N . 15219 1 903 . 1 1 199 199 LYS H H 1 7.69 0.01 . 1 . . . . 417 LYS HN . 15219 1 904 . 1 1 199 199 LYS C C 13 180.2 0.1 . 1 . . . . 417 LYS CO . 15219 1 905 . 1 1 199 199 LYS CA C 13 59.8 0.2 . 1 . . . . 417 LYS CA . 15219 1 906 . 1 1 199 199 LYS CB C 13 31.5 0.2 . 1 . . . . 417 LYS CB . 15219 1 907 . 1 1 199 199 LYS N N 15 117.5 0.1 . 1 . . . . 417 LYS N . 15219 1 908 . 1 1 200 200 LEU H H 1 8.00 0.01 . 1 . . . . 418 LEU HN . 15219 1 909 . 1 1 200 200 LEU C C 13 178.4 0.1 . 1 . . . . 418 LEU CO . 15219 1 910 . 1 1 200 200 LEU CA C 13 57.8 0.2 . 1 . . . . 418 LEU CA . 15219 1 911 . 1 1 200 200 LEU CB C 13 41.3 0.2 . 1 . . . . 418 LEU CB . 15219 1 912 . 1 1 200 200 LEU N N 15 118.7 0.1 . 1 . . . . 418 LEU N . 15219 1 913 . 1 1 205 205 PRO C C 13 177.6 0.1 . 1 . . . . 423 PRO CO . 15219 1 914 . 1 1 205 205 PRO CA C 13 66.4 0.2 . 1 . . . . 423 PRO CA . 15219 1 915 . 1 1 206 206 ALA H H 1 7.23 0.01 . 1 . . . . 424 ALA HN . 15219 1 916 . 1 1 206 206 ALA C C 13 178.9 0.1 . 1 . . . . 424 ALA CO . 15219 1 917 . 1 1 206 206 ALA CA C 13 54.9 0.2 . 1 . . . . 424 ALA CA . 15219 1 918 . 1 1 206 206 ALA CB C 13 17.6 0.2 . 1 . . . . 424 ALA CB . 15219 1 919 . 1 1 206 206 ALA N N 15 120.5 0.1 . 1 . . . . 424 ALA N . 15219 1 920 . 1 1 207 207 LEU H H 1 7.75 0.01 . 1 . . . . 425 LEU HN . 15219 1 921 . 1 1 207 207 LEU C C 13 177.6 0.1 . 1 . . . . 425 LEU CO . 15219 1 922 . 1 1 207 207 LEU CA C 13 57.7 0.2 . 1 . . . . 425 LEU CA . 15219 1 923 . 1 1 207 207 LEU CB C 13 42.1 0.2 . 1 . . . . 425 LEU CB . 15219 1 924 . 1 1 207 207 LEU N N 15 118.5 0.1 . 1 . . . . 425 LEU N . 15219 1 925 . 1 1 208 208 ARG H H 1 7.84 0.01 . 1 . . . . 426 ARG HN . 15219 1 926 . 1 1 208 208 ARG C C 13 178.1 0.1 . 1 . . . . 426 ARG CO . 15219 1 927 . 1 1 208 208 ARG CA C 13 56.1 0.2 . 1 . . . . 426 ARG CA . 15219 1 928 . 1 1 208 208 ARG CB C 13 26.7 0.2 . 1 . . . . 426 ARG CB . 15219 1 929 . 1 1 208 208 ARG N N 15 119.0 0.1 . 1 . . . . 426 ARG N . 15219 1 930 . 1 1 209 209 SER H H 1 8.10 0.01 . 1 . . . . 427 SER HN . 15219 1 931 . 1 1 209 209 SER C C 13 175.9 0.1 . 1 . . . . 427 SER CO . 15219 1 932 . 1 1 209 209 SER CA C 13 61.1 0.2 . 1 . . . . 427 SER CA . 15219 1 933 . 1 1 209 209 SER CB C 13 61.8 0.2 . 1 . . . . 427 SER CB . 15219 1 934 . 1 1 209 209 SER N N 15 113.8 0.1 . 1 . . . . 427 SER N . 15219 1 935 . 1 1 243 243 MET C C 13 175.6 0.1 . 1 . . . . 461 MET CO . 15219 1 936 . 1 1 243 243 MET CA C 13 55.1 0.2 . 1 . . . . 461 MET CA . 15219 1 937 . 1 1 243 243 MET CB C 13 32.2 0.2 . 1 . . . . 461 MET CB . 15219 1 938 . 1 1 244 244 THR H H 1 7.61 0.01 . 1 . . . . 462 THR HN . 15219 1 939 . 1 1 244 244 THR C C 13 179.1 0.1 . 1 . . . . 462 THR CO . 15219 1 940 . 1 1 244 244 THR CA C 13 62.6 0.2 . 1 . . . . 462 THR CA . 15219 1 941 . 1 1 244 244 THR CB C 13 70.2 0.2 . 1 . . . . 462 THR CB . 15219 1 942 . 1 1 244 244 THR N N 15 120.3 0.1 . 1 . . . . 462 THR N . 15219 1 stop_ save_