data_19223 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19223 _Entry.Title ; Sequence specific backbone assignment of the catalytic domain of protein phosphatase 1B (PTP1B) in the ligand-free state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-03 _Entry.Accession_date 2013-05-03 _Entry.Last_release_date 2014-09-26 _Entry.Original_release_date 2014-09-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'PTP1B residues 1-301' _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 Dorothy Koveal . . . 19223 2 Daniel Miller . . . 19223 3 Rebecca Page . . . 19223 4 Wolfgang Peti . . . 19223 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19223 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 512 19223 '15N chemical shifts' 232 19223 '1H chemical shifts' 232 19223 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 . . 2014-09-26 2013-05-03 original author . 19223 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19224 'PTP1B (residues 1-393)' 19223 BMRB 19225 'carbohydrate binding module of the muscle glycogen-targeting subunit of Protein Phosphatase-1' 19223 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19223 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/nchembio.1528 _Citation.PubMed_ID 24845231 _Citation.Full_citation . _Citation.Title 'Targeting the disordered C terminus of PTP1B with an allosteric inhibitor.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem. Biol.' _Citation.Journal_name_full 'Nature chemical biology' _Citation.Journal_volume 10 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1552-4469 _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 558 _Citation.Page_last 566 _Citation.Year 2014 _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 Navasona Krishnan N. . . 19223 1 2 Dorothy Koveal D. . . 19223 1 3 Daniel Miller D. H. . 19223 1 4 Bin Xue B. . . 19223 1 5 'Sai Dipikaa' Akshinthala S. D. . 19223 1 6 Jaka Kragelj J. . . 19223 1 7 'Malene Ringkjobing' Jensen M. R. . 19223 1 8 Carla-Maria Gauss C. M. . 19223 1 9 Rebecca Page R. . . 19223 1 10 Martin Blackledge M. . . 19223 1 11 Senthil Muthuswamy S. K. . 19223 1 12 Wolfgang Peti W. . . 19223 1 13 Nicholas Tonks N. K. . 19223 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID nmr 19223 1 'protein tyrosine phosphatase' 19223 1 PTP1B 19223 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19223 _Assembly.ID 1 _Assembly.Name PTP1B _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PTP1B 1 $PTP1B A . yes native no no . . . 19223 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 5474 . . . . . . 19223 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Protein Tyrosine Phosphatase' 19223 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PTP1B _Entity.Sf_category entity _Entity.Sf_framecode PTP1B _Entity.Entry_ID 19223 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PTP1B _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 ; GHMASMEMEKEFEQIDKSGS WAAIYQDIRHEASDFPCRVA KLPKNKNRNRYRDVSPFDHS RIKLHQEDNDYINASLIKME EAQRSYILTQGPLPNTCGHF WEMVWEQKSRGVVMLNRVME KGSLKCAQYWPQKEEKEMIF EDTNLKLTLISEDIKSYYTV RQLELENLTTQETREILHFH YTTWPDFGVPESPASFLNFL FKVRESGSLSPEHGPVVVHC SAGIGRSGTFCLADTCLLLM DKRKDPSSVDIKKVLLEMRK FRMGLIQTADQLRFSYLAVI EGAKFIMGDSSVQDQWKELS HEDLEPHN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first five residues (GHMAS) represent non-native residues that remain after cleavage of the N-terminal affinity tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 308 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19224 . PTP1B . . . . . 99.35 398 100.00 100.00 0.00e+00 . . . . 19223 1 2 no BMRB 25375 . PTP1B . . . . . 100.00 308 100.00 100.00 0.00e+00 . . . . 19223 1 3 no PDB 1A5Y . "Protein Tyrosine Phosphatase 1b Cysteinyl-Phosphate Intermediate" . . . . . 97.73 330 98.67 99.34 0.00e+00 . . . . 19223 1 4 no PDB 1AAX . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Two Bis(Para-Phosphophenyl)methane (Bppm) Molecules" . . . . . 97.73 321 99.67 99.67 0.00e+00 . . . . 19223 1 5 no PDB 1BZC . "Human Ptp1b Catalytic Domain Complexed With Tpi" . . . . . 97.73 321 99.34 100.00 0.00e+00 . . . . 19223 1 6 no PDB 1BZH . "Cyclic Peptide Inhibitor Of Human Ptp1b" . . . . . 96.75 298 99.33 100.00 0.00e+00 . . . . 19223 1 7 no PDB 1BZJ . "Human Ptp1b Complexed With Tpicooh" . . . . . 96.10 297 100.00 100.00 0.00e+00 . . . . 19223 1 8 no PDB 1C83 . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With 6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid" . . . . . 96.75 298 99.33 100.00 0.00e+00 . . . . 19223 1 9 no PDB 1C84 . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With 3-(Oxalyl-Amino)-Naphthalene-2-Carboxlic Acid" . . . . . 96.75 298 99.33 100.00 0.00e+00 . . . . 19223 1 10 no PDB 1C85 . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With 2-(Oxalyl-Amino)-Benzoic Acid" . . . . . 96.75 298 99.33 100.00 0.00e+00 . . . . 19223 1 11 no PDB 1C86 . "Crystal Structure Of Protein Tyrosine Phosphatase 1b (R47v, D48n) Complexed With 2-(Oxalyl-Amino-4,7-Dihydro-5h- Thieno[2,3-C]p" . . . . . 96.75 298 98.66 99.66 0.00e+00 . . . . 19223 1 12 no PDB 1C87 . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With 2-(Oxalyl-Amino-4,7-Dihydro-5h-Thieno[2,3- C]pyran-3-Carbox" . . . . . 96.75 298 99.33 100.00 0.00e+00 . . . . 19223 1 13 no PDB 1C88 . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With 2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro- Thieno[2,3-C]pyridine-" . . . . . 96.75 298 99.33 100.00 0.00e+00 . . . . 19223 1 14 no PDB 1ECV . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With 5-Iodo-2-(Oxalyl-Amino)-Benzoic Acid" . . . . . 96.75 298 99.33 100.00 0.00e+00 . . . . 19223 1 15 no PDB 1EEN . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Acetyl-D-A-D-Bpa-Ptyr-L-I-P-Q-Q-G" . . . . . 97.73 321 99.67 99.67 0.00e+00 . . . . 19223 1 16 no PDB 1EEO . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Acetyl-E-L-E-F-Ptyr-M-D-Y-E-Nh2" . . . . . 97.73 321 99.67 99.67 0.00e+00 . . . . 19223 1 17 no PDB 1G1F . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With A Tri-Phosphorylated Peptide (Rdi(Ptr) Etd(Ptr)(Ptr)rk) Fro" . . . . . 96.75 298 99.66 99.66 0.00e+00 . . . . 19223 1 18 no PDB 1G1G . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With A Mono-Phosphorylated Peptide (Etdy(Ptr) Rkggkgll) From The" . . . . . 96.75 298 99.66 99.66 0.00e+00 . . . . 19223 1 19 no PDB 1G1H . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With A Bis-Phosphorylated Peptide (Etd(Ptr)(Ptr) Rkggkgll) From " . . . . . 96.75 298 99.66 99.66 0.00e+00 . . . . 19223 1 20 no PDB 1G7F . "Human Ptp1b Catalytic Domain Complexed With Pnu177496" . . . . . 96.75 298 99.66 100.00 0.00e+00 . . . . 19223 1 21 no PDB 1G7G . "Human Ptp1b Catalytic Domain Complexes With Pnu179326" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 22 no PDB 1GFY . "Residue 259 Is A Key Determinant Of Substrate Specificity Of Protein-Tyrosine Phosphatase 1b And Alpha" . . . . . 96.75 298 97.99 98.99 0.00e+00 . . . . 19223 1 23 no PDB 1I57 . "Crystal Structure Of Apo Human Ptp1b (C215s) Mutant" . . . . . 96.75 310 99.66 99.66 0.00e+00 . . . . 19223 1 24 no PDB 1JF7 . "Human Ptp1b Catalytic Domain Complexed With Pnu177836" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 25 no PDB 1KAK . "Human Tyrosine Phosphatase 1b Complexed With An Inhibitor" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 26 no PDB 1KAV . "Human Tyrosine Phosphatase 1b Complexed With An Inhibitor" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 27 no PDB 1L8G . "Crystal Structure Of Ptp1b Complexed With 7-(1,1-dioxo-1h- Benzo[d]isothiazol-3-yloxymethyl)-2-(oxalyl-amino)-4,7- Dihydro-5h-t" . . . . . 97.73 321 99.34 100.00 0.00e+00 . . . . 19223 1 28 no PDB 1LQF . "Structure Of Ptp1b In Complex With A Peptidic Bisphosphonate Inhibitor" . . . . . 91.88 295 100.00 100.00 0.00e+00 . . . . 19223 1 29 no PDB 1NL9 . "Potent, Selective Protein Tyrosine Phosphatase 1b Inhibitor Compound 12 Using A Linked-Fragment Strategy" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 30 no PDB 1NNY . "Potent, Selective Protein Tyrosine Phosphatase 1b Inhibitor Compound 23 Using A Linked-fragment Strategy" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 31 no PDB 1NO6 . "Potent, Selective Protein Tyrosine Phosphatase 1b Inhibitor Compound 5 Using A Linked-fragment Strategy" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 32 no PDB 1NWE . "Ptp1b R47c Modified At C47 With N-[4-(2-{2-[3-(2-Bromo- Acetylamino)-Propionylamino]-3-Hydroxy-Propionylamino}- Ethyl)-Phenyl]-" . . . . . 96.75 298 98.99 98.99 0.00e+00 . . . . 19223 1 33 no PDB 1NWL . "Crystal Structure Of The Ptp1b Complexed With Sp7343-Sp7964, A Ptyr Mimetic" . . . . . 96.75 298 98.99 98.99 0.00e+00 . . . . 19223 1 34 no PDB 1NZ7 . "Potent, Selective Inhibitors Of Protein Tyrosine Phosphatase 1b Using A Second Phosphotyrosine Binding Site, Complexed With Com" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 35 no PDB 1OEM . "Ptp1b With The Catalytic Cysteine Oxidized To A Sulfenyl-Amide Bond" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 36 no PDB 1OEO . "Ptp1b With The Catalytic Cysteine Oxidized To Sulfonic Acid" . . . . . 97.73 321 99.67 99.67 0.00e+00 . . . . 19223 1 37 no PDB 1OES . "Oxidation State Of Protein Tyrosine Phosphatase 1b" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 38 no PDB 1OET . "Oxidation State Of Protein Tyrosine Phosphatase 1b" . . . . . 97.73 321 99.67 99.67 0.00e+00 . . . . 19223 1 39 no PDB 1OEU . "Oxidation State Of Protein Tyrosine Phosphatase 1b" . . . . . 97.73 321 99.67 99.67 0.00e+00 . . . . 19223 1 40 no PDB 1OEV . "Oxidation State Of Protein Tyrosine Phosphatase 1b" . . . . . 97.73 321 99.67 99.67 0.00e+00 . . . . 19223 1 41 no PDB 1ONY . "Oxalyl-aryl-amino Benzoic Acid Inhibitors Of Ptp1b, Compound 17" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 42 no PDB 1ONZ . "Oxalyl-Aryl-Amino Benzoic Acid Inhibitors Of Ptp1b, Compound 8b" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 43 no PDB 1PA1 . "Crystal Structure Of The C215d Mutant Of Protein Tyrosine Phosphatase 1b" . . . . . 96.75 310 99.66 99.66 0.00e+00 . . . . 19223 1 44 no PDB 1PH0 . "Non-Carboxylic Acid-Containing Inhibitor Of Ptp1b Targeting The Second Phosphotyrosine Site" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 45 no PDB 1PTT . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Phosphotyrosine-Containing Tetra-Peptide (Ac-Depyl-Nh2)" . . . . . 97.73 321 99.34 99.67 0.00e+00 . . . . 19223 1 46 no PDB 1PTU . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Phosphotyrosine-Containing Hexa-Peptide (Dadepyl-Nh2)" . . . . . 97.73 321 99.34 99.67 0.00e+00 . . . . 19223 1 47 no PDB 1PTV . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Phosphotyrosine" . . . . . 97.73 321 99.00 99.67 0.00e+00 . . . . 19223 1 48 no PDB 1PTY . "Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Two Phosphotyrosine Molecules" . . . . . 97.73 321 99.67 99.67 0.00e+00 . . . . 19223 1 49 no PDB 1PXH . "Crystal Structure Of Protein Tyrosine Phosphatase 1b With Potent And Selective Bidentate Inhibitor Compound 2" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 50 no PDB 1PYN . "Dual-Site Potent, Selective Protein Tyrosine Phosphatase 1b Inhibitor Using A Linked Fragment Strategy And A Malonate Head On T" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 51 no PDB 1Q1M . "A Highly Efficient Approach To A Selective And Cell Active Ptp1b Inhibitors" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 52 no PDB 1Q6J . "The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 2" . . . . . 96.75 310 100.00 100.00 0.00e+00 . . . . 19223 1 53 no PDB 1Q6M . "The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 3" . . . . . 96.75 310 100.00 100.00 0.00e+00 . . . . 19223 1 54 no PDB 1Q6N . "The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 4" . . . . . 96.75 310 100.00 100.00 0.00e+00 . . . . 19223 1 55 no PDB 1Q6P . "The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 6" . . . . . 96.75 310 100.00 100.00 0.00e+00 . . . . 19223 1 56 no PDB 1Q6S . "The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 9" . . . . . 96.75 310 100.00 100.00 0.00e+00 . . . . 19223 1 57 no PDB 1Q6T . "The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 11" . . . . . 96.75 310 100.00 100.00 0.00e+00 . . . . 19223 1 58 no PDB 1QXK . "Monoacid-Based, Cell Permeable, Selective Inhibitors Of Protein Tyrosine Phosphatase 1b" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 59 no PDB 1SUG . "1.95 A Structure Of Apo Protein Tyrosine Phosphatase 1b" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 60 no PDB 1T48 . "Allosteric Inhibition Of Protein Tyrosine Phosphatase 1b" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 61 no PDB 1T49 . "Allosteric Inhibition Of Protein Tyrosine Phosphatase 1b" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 62 no PDB 1T4J . "Allosteric Inhibition Of Protein Tyrosine Phosphatase 1b" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 63 no PDB 1WAX . "Protein Tyrosine Phosphatase 1b With Active Site Inhibitor" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 64 no PDB 1XBO . "Ptp1b Complexed With Isoxazole Carboxylic Acid" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 65 no PDB 2AZR . "Crystal Structure Of Ptp1b With Bicyclic Thiophene Inhibitor" . . . . . 97.08 299 100.00 100.00 0.00e+00 . . . . 19223 1 66 no PDB 2B07 . "Crystal Structure Of Ptp1b With Tricyclic Thiophene Inhibitor." . . . . . 97.08 299 100.00 100.00 0.00e+00 . . . . 19223 1 67 no PDB 2B4S . "Crystal Structure Of A Complex Between Ptp1b And The Insulin Receptor Tyrosine Kinase" . . . . . 96.75 298 99.66 99.66 0.00e+00 . . . . 19223 1 68 no PDB 2BGD . "Structure-based Design Of Protein Tyrosine Phosphatase-1b Inhibitors" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 69 no PDB 2BGE . "Structure-Based Design Of Protein Tyrosine Phosphatase-1b Inhibitors" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 70 no PDB 2CM2 . "Structure Of Protein Tyrosine Phosphatase 1b (P212121)" . . . . . 98.05 304 98.68 98.68 0.00e+00 . . . . 19223 1 71 no PDB 2CM3 . "Structure Of Protein Tyrosine Phosphatase 1b (C2)" . . . . . 98.05 304 98.68 98.68 0.00e+00 . . . . 19223 1 72 no PDB 2CM7 . "Structural Basis For Inhibition Of Protein Tyrosine Phosphatase 1b By Isothiazolidinone Heterocyclic Phosphonate Mimetics" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 73 no PDB 2CM8 . "Structural Basis For Inhibition Of Protein Tyrosine Phosphatase 1b By Isothiazolidinone Heterocyclic Phosphonate Mimetics" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 74 no PDB 2CMA . "Structural Basis For Inhibition Of Protein Tyrosine Phosphatase 1b By Isothiazolidinone Heterocyclic Phosphonate Mimetics" . . . . . 99.03 327 98.69 98.69 0.00e+00 . . . . 19223 1 75 no PDB 2CMB . "Structural Basis For Inhibition Of Protein Tyrosine Phosphatase 1b By Isothiazolidinone Heterocyclic Phosphonate Mimetics" . . . . . 98.05 304 98.68 98.68 0.00e+00 . . . . 19223 1 76 no PDB 2CMC . "Structural Basis For Inhibition Of Protein Tyrosine Phosphatase 1b By Isothiazolidinone Heterocyclic Phosphonate Mimetics" . . . . . 98.05 304 98.68 98.68 0.00e+00 . . . . 19223 1 77 no PDB 2CNE . "Structural Insights Into The Design Of Nonpeptidic Isothiazolidinone-Containing Inhibitors Of Protein Tyrosine Phosphatase 1b" . . . . . 98.05 304 98.68 98.68 0.00e+00 . . . . 19223 1 78 no PDB 2CNF . "Structural Insights Into The Design Of Nonpeptidic Isothiazolidinone-Containing Inhibitors Of Protein Tyrosine Phosphatase 1b" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 79 no PDB 2CNG . "Structural Insights Into The Design Of Nonpeptidic Isothiazolidinone-Containing Inhibitors Of Protein Tyrosine Phosphatase 1b" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 80 no PDB 2CNH . "Structural Insights Into The Design Of Nonpeptidic Isothiazolidinone-Containing Inhibitors Of Protein Tyrosine Phosphatase 1b" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 81 no PDB 2CNI . "Structural Insights Into The Design Of Nonpeptidic Isothiazolidinone-Containing Inhibitors Of Protein Tyrosine Phosphatase 1b" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 82 no PDB 2F6F . "The Structure Of The S295f Mutant Of Human Ptp1b" . . . . . 96.75 302 99.66 99.66 0.00e+00 . . . . 19223 1 83 no PDB 2F6T . "Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 84 no PDB 2F6V . "Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 85 no PDB 2F6W . "Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 86 no PDB 2F6Y . "Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 87 no PDB 2F6Z . "Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 88 no PDB 2F70 . "Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 89 no PDB 2F71 . "Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors" . . . . . 96.75 298 100.00 100.00 0.00e+00 . . . . 19223 1 90 no PDB 2FJM . "The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 2" . . . . . 96.75 310 99.66 100.00 0.00e+00 . . . . 19223 1 91 no PDB 2FJN . "The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 2" . . . . . 96.75 310 100.00 100.00 0.00e+00 . . . . 19223 1 92 no PDB 2H4G . "Crystal Structure Of Ptp1b With Monocyclic Thiophene Inhibitor" . . . . . 97.08 299 100.00 100.00 0.00e+00 . . . . 19223 1 93 no PDB 2H4K . "Crystal Structure Of Ptp1b With A Monocyclic Thiophene Inhibitor" . . . . . 97.08 299 100.00 100.00 0.00e+00 . . . . 19223 1 94 no PDB 2HB1 . "Crystal Structure Of Ptp1b With Monocyclic Thiophene Inhibitor" . . . . . 97.08 299 100.00 100.00 0.00e+00 . . . . 19223 1 95 no PDB 2HNP . "Crystal Structure Of Human Protein Tyrosine Phosphatase 1b" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 96 no PDB 2HNQ . "Crystal Structure Of Human Protein Tyrosine Phosphatase 1b" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 97 no PDB 2NT7 . "Crystal Structure Of Ptp1b-inhibitor Complex" . . . . . 97.08 299 99.67 100.00 0.00e+00 . . . . 19223 1 98 no PDB 2NTA . "Crystal Structure Of Ptp1b-Inhibitor Complex" . . . . . 97.08 299 99.67 100.00 0.00e+00 . . . . 19223 1 99 no PDB 2QBP . "Crystal Structure Of Ptp1b-inhibitor Complex" . . . . . 97.08 299 100.00 100.00 0.00e+00 . . . . 19223 1 100 no PDB 2QBQ . "Crystal Structure Of Ptp1b-Inhibitor Complex" . . . . . 97.08 299 100.00 100.00 0.00e+00 . . . . 19223 1 101 no PDB 2QBR . "Crystal Structure Of Ptp1b-Inhibitor Complex" . . . . . 97.08 299 100.00 100.00 0.00e+00 . . . . 19223 1 102 no PDB 2QBS . "Crystal Structure Of Ptp1b-Inhibitor Complex" . . . . . 97.08 299 100.00 100.00 0.00e+00 . . . . 19223 1 103 no PDB 2VEU . "Crystal Structure Of Protein Tyrosine Phosphatase 1b In Complex With An Isothiazolidinone-containing Inhibitor" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 104 no PDB 2VEV . "Crystal Strucutre Of Protein Tyrosine Phosphatase 1b In Complex With An Isothiazolidinone-Containing Inhibitor" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 105 no PDB 2VEW . "Crystal Strucutre Of Protein Tyrosine Phosphatase 1b In Complex With An Isothiazolidinone-Containing Inhibitor" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 106 no PDB 2VEX . "Crystal Strucutre Of Protein Tyrosine Phosphatase 1b In Complex With An Isothiazolidinone-Containing Inhibitor" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 107 no PDB 2VEY . "Crystal Strucutre Of Protein Tyrosine Phosphatase 1b In Complex With An Isothiazolidinone-Containing Inhibitor" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 108 no PDB 2ZMM . "Crystal Structure Of Ptp1b-Inhibitor Complex" . . . . . 97.08 299 100.00 100.00 0.00e+00 . . . . 19223 1 109 no PDB 2ZN7 . "Crystal Structures Of Ptp1b-Inhibitor Complexes" . . . . . 97.08 299 100.00 100.00 0.00e+00 . . . . 19223 1 110 no PDB 3A5J . "Crystal Structure Of Protein-Tyrosine Phosphatase 1b" . . . . . 99.03 327 98.69 98.69 0.00e+00 . . . . 19223 1 111 no PDB 3A5K . "Crystal Structure Of Protein-Tyrosine Phosphatase 1b" . . . . . 98.05 304 98.34 98.34 0.00e+00 . . . . 19223 1 112 no PDB 3CWE . "Ptp1b In Complex With A Phosphonic Acid Inhibitor" . . . . . 91.88 290 100.00 100.00 0.00e+00 . . . . 19223 1 113 no PDB 3D9C . "Crystal Structure Ptp1b Complex With Aryl Seleninic Acid" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 114 no PDB 3EAX . "Crystal Structure Ptp1b Complex With Small Molecule Compound Lzp-6" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 115 no PDB 3EB1 . "Crystal Structure Ptp1b Complex With Small Molecule Inhibitor Lzp-25" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 116 no PDB 3EU0 . "Crystal Structure Of The S-Nitrosylated Cys215 Of Ptp1b" . . . . . 99.03 327 98.69 98.69 0.00e+00 . . . . 19223 1 117 no PDB 3I7Z . "Protein Tyrosine Phosphatase 1b - Transition State Analog Fo First Catalytic Step" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 118 no PDB 3I80 . "Protein Tyrosine Phosphatase 1b - Transition State Analog Fo Second Catalytic Step" . . . . . 97.73 321 100.00 100.00 0.00e+00 . . . . 19223 1 119 no PDB 3QKP . "Protein Tyrosine Phosphatase 1b - Apo W179f Mutant With Open Wpd-Loop" . . . . . 97.73 321 99.67 100.00 0.00e+00 . . . . 19223 1 120 no PDB 3QKQ . "Protein Tyrosine Phosphatase 1b - W179f Mutant Bound With Vanadate" . . . . . 97.73 321 99.67 100.00 0.00e+00 . . . . 19223 1 121 no PDB 3SME . "Structure Of Ptp1b Inactivated By H2o2BICARBONATE" . . . . . 98.38 300 99.01 99.01 0.00e+00 . . . . 19223 1 122 no PDB 3ZMP . "Src-derived Peptide Inhibitor Complex Of Ptp1b" . . . . . 99.03 329 98.69 98.69 0.00e+00 . . . . 19223 1 123 no PDB 3ZMQ . "Src-derived Mutant Peptide Inhibitor Complex Of Ptp1b" . . . . . 99.03 329 98.69 98.69 0.00e+00 . . . . 19223 1 124 no PDB 3ZV2 . "Human Protein-Tyrosine Phosphatase 1b C215a, S216a Mutant" . . . . . 97.73 320 99.34 99.67 0.00e+00 . . . . 19223 1 125 no PDB 4BJO . "Nitrate In The Active Site Of Ptp1b Is A Putative Mimetic Of The Transition State" . . . . . 97.40 338 100.00 100.00 0.00e+00 . . . . 19223 1 126 no PDB 4I8N . "Crystal Structure Of Protein Tyrosine Phosphatase 1b In Complex With An Inhibitor [(4-{(2s)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluor" . . . . . 98.38 354 99.67 99.67 0.00e+00 . . . . 19223 1 127 no PDB 4QAP . "The Second Sphere Residue T263 Is Important For Function And Activity Of Ptp1b Through Modulating Wpd Loop" . . . . . 97.08 299 99.67 99.67 0.00e+00 . . . . 19223 1 128 no PDB 4QBW . "The Second Sphere Residue T263 Is Important For Function And Activity Of Ptp1b Through Modulating Wpd Loop" . . . . . 97.08 299 100.00 100.00 0.00e+00 . . . . 19223 1 129 no PDB 4Y14 . "Structure Of Protein Tyrosine Phosphatase 1b Complexed With Inhibitor (ptp1b:cpt157633)" . . . . . 100.00 308 100.00 100.00 0.00e+00 . . . . 19223 1 130 no PDB 4ZRT . "Ptp1bc215s Bound To Nephrin Peptide Substrate" . . . . . 96.75 298 99.66 99.66 0.00e+00 . . . . 19223 1 131 no DBJ BAF83327 . "unnamed protein product [Homo sapiens]" . . . . . 97.73 435 100.00 100.00 0.00e+00 . . . . 19223 1 132 no DBJ BAG11007 . "protein tyrosine phosphatase, non-receptor type 1 [synthetic construct]" . . . . . 97.73 435 100.00 100.00 0.00e+00 . . . . 19223 1 133 no DBJ BAG38152 . "unnamed protein product [Homo sapiens]" . . . . . 97.73 435 100.00 100.00 0.00e+00 . . . . 19223 1 134 no DBJ BAG61697 . "unnamed protein product [Homo sapiens]" . . . . . 74.03 362 100.00 100.00 3.70e-165 . . . . 19223 1 135 no EMBL CAH90487 . "hypothetical protein [Pongo abelii]" . . . . . 97.73 435 99.34 99.67 0.00e+00 . . . . 19223 1 136 no EMBL CAN13184 . "protein tyrosine phosphatase, non-receptor type 1 [Sus scrofa]" . . . . . 97.73 427 98.01 99.67 0.00e+00 . . . . 19223 1 137 no GB AAA60157 . "non-receptor tyrosine phosphatase 1 [Homo sapiens]" . . . . . 97.73 435 100.00 100.00 0.00e+00 . . . . 19223 1 138 no GB AAA60223 . "phosphotyrosyl-protein phosphatase (EC 3.1.3.48) [Homo sapiens]" . . . . . 97.73 435 100.00 100.00 0.00e+00 . . . . 19223 1 139 no GB AAH15660 . "Protein tyrosine phosphatase, non-receptor type 1 [Homo sapiens]" . . . . . 97.73 435 100.00 100.00 0.00e+00 . . . . 19223 1 140 no GB AAH18164 . "Protein tyrosine phosphatase, non-receptor type 1 [Homo sapiens]" . . . . . 97.73 435 100.00 100.00 0.00e+00 . . . . 19223 1 141 no GB AAP35398 . "protein tyrosine phosphatase, non-receptor type 1 [Homo sapiens]" . . . . . 97.73 435 100.00 100.00 0.00e+00 . . . . 19223 1 142 no REF NP_001106906 . "tyrosine-protein phosphatase non-receptor type 1 [Sus scrofa]" . . . . . 97.73 427 98.01 99.67 0.00e+00 . . . . 19223 1 143 no REF NP_001125254 . "tyrosine-protein phosphatase non-receptor type 1 [Pongo abelii]" . . . . . 97.73 435 99.34 99.67 0.00e+00 . . . . 19223 1 144 no REF NP_001245122 . "tyrosine-protein phosphatase non-receptor type 1 [Macaca mulatta]" . . . . . 97.73 435 100.00 100.00 0.00e+00 . . . . 19223 1 145 no REF NP_001265547 . "tyrosine-protein phosphatase non-receptor type 1 isoform 2 [Homo sapiens]" . . . . . 74.03 362 100.00 100.00 3.70e-165 . . . . 19223 1 146 no REF NP_002818 . "tyrosine-protein phosphatase non-receptor type 1 isoform 1 [Homo sapiens]" . . . . . 97.73 435 100.00 100.00 0.00e+00 . . . . 19223 1 147 no SP P18031 . "RecName: Full=Tyrosine-protein phosphatase non-receptor type 1; AltName: Full=Protein-tyrosine phosphatase 1B; Short=PTP-1B" . . . . . 97.73 435 100.00 100.00 0.00e+00 . . . . 19223 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 19223 1 2 2 HIS . 19223 1 3 3 MET . 19223 1 4 4 ALA . 19223 1 5 5 SER . 19223 1 6 6 MET . 19223 1 7 7 GLU . 19223 1 8 8 MET . 19223 1 9 9 GLU . 19223 1 10 10 LYS . 19223 1 11 11 GLU . 19223 1 12 12 PHE . 19223 1 13 13 GLU . 19223 1 14 14 GLN . 19223 1 15 15 ILE . 19223 1 16 16 ASP . 19223 1 17 17 LYS . 19223 1 18 18 SER . 19223 1 19 19 GLY . 19223 1 20 20 SER . 19223 1 21 21 TRP . 19223 1 22 22 ALA . 19223 1 23 23 ALA . 19223 1 24 24 ILE . 19223 1 25 25 TYR . 19223 1 26 26 GLN . 19223 1 27 27 ASP . 19223 1 28 28 ILE . 19223 1 29 29 ARG . 19223 1 30 30 HIS . 19223 1 31 31 GLU . 19223 1 32 32 ALA . 19223 1 33 33 SER . 19223 1 34 34 ASP . 19223 1 35 35 PHE . 19223 1 36 36 PRO . 19223 1 37 37 CYS . 19223 1 38 38 ARG . 19223 1 39 39 VAL . 19223 1 40 40 ALA . 19223 1 41 41 LYS . 19223 1 42 42 LEU . 19223 1 43 43 PRO . 19223 1 44 44 LYS . 19223 1 45 45 ASN . 19223 1 46 46 LYS . 19223 1 47 47 ASN . 19223 1 48 48 ARG . 19223 1 49 49 ASN . 19223 1 50 50 ARG . 19223 1 51 51 TYR . 19223 1 52 52 ARG . 19223 1 53 53 ASP . 19223 1 54 54 VAL . 19223 1 55 55 SER . 19223 1 56 56 PRO . 19223 1 57 57 PHE . 19223 1 58 58 ASP . 19223 1 59 59 HIS . 19223 1 60 60 SER . 19223 1 61 61 ARG . 19223 1 62 62 ILE . 19223 1 63 63 LYS . 19223 1 64 64 LEU . 19223 1 65 65 HIS . 19223 1 66 66 GLN . 19223 1 67 67 GLU . 19223 1 68 68 ASP . 19223 1 69 69 ASN . 19223 1 70 70 ASP . 19223 1 71 71 TYR . 19223 1 72 72 ILE . 19223 1 73 73 ASN . 19223 1 74 74 ALA . 19223 1 75 75 SER . 19223 1 76 76 LEU . 19223 1 77 77 ILE . 19223 1 78 78 LYS . 19223 1 79 79 MET . 19223 1 80 80 GLU . 19223 1 81 81 GLU . 19223 1 82 82 ALA . 19223 1 83 83 GLN . 19223 1 84 84 ARG . 19223 1 85 85 SER . 19223 1 86 86 TYR . 19223 1 87 87 ILE . 19223 1 88 88 LEU . 19223 1 89 89 THR . 19223 1 90 90 GLN . 19223 1 91 91 GLY . 19223 1 92 92 PRO . 19223 1 93 93 LEU . 19223 1 94 94 PRO . 19223 1 95 95 ASN . 19223 1 96 96 THR . 19223 1 97 97 CYS . 19223 1 98 98 GLY . 19223 1 99 99 HIS . 19223 1 100 100 PHE . 19223 1 101 101 TRP . 19223 1 102 102 GLU . 19223 1 103 103 MET . 19223 1 104 104 VAL . 19223 1 105 105 TRP . 19223 1 106 106 GLU . 19223 1 107 107 GLN . 19223 1 108 108 LYS . 19223 1 109 109 SER . 19223 1 110 110 ARG . 19223 1 111 111 GLY . 19223 1 112 112 VAL . 19223 1 113 113 VAL . 19223 1 114 114 MET . 19223 1 115 115 LEU . 19223 1 116 116 ASN . 19223 1 117 117 ARG . 19223 1 118 118 VAL . 19223 1 119 119 MET . 19223 1 120 120 GLU . 19223 1 121 121 LYS . 19223 1 122 122 GLY . 19223 1 123 123 SER . 19223 1 124 124 LEU . 19223 1 125 125 LYS . 19223 1 126 126 CYS . 19223 1 127 127 ALA . 19223 1 128 128 GLN . 19223 1 129 129 TYR . 19223 1 130 130 TRP . 19223 1 131 131 PRO . 19223 1 132 132 GLN . 19223 1 133 133 LYS . 19223 1 134 134 GLU . 19223 1 135 135 GLU . 19223 1 136 136 LYS . 19223 1 137 137 GLU . 19223 1 138 138 MET . 19223 1 139 139 ILE . 19223 1 140 140 PHE . 19223 1 141 141 GLU . 19223 1 142 142 ASP . 19223 1 143 143 THR . 19223 1 144 144 ASN . 19223 1 145 145 LEU . 19223 1 146 146 LYS . 19223 1 147 147 LEU . 19223 1 148 148 THR . 19223 1 149 149 LEU . 19223 1 150 150 ILE . 19223 1 151 151 SER . 19223 1 152 152 GLU . 19223 1 153 153 ASP . 19223 1 154 154 ILE . 19223 1 155 155 LYS . 19223 1 156 156 SER . 19223 1 157 157 TYR . 19223 1 158 158 TYR . 19223 1 159 159 THR . 19223 1 160 160 VAL . 19223 1 161 161 ARG . 19223 1 162 162 GLN . 19223 1 163 163 LEU . 19223 1 164 164 GLU . 19223 1 165 165 LEU . 19223 1 166 166 GLU . 19223 1 167 167 ASN . 19223 1 168 168 LEU . 19223 1 169 169 THR . 19223 1 170 170 THR . 19223 1 171 171 GLN . 19223 1 172 172 GLU . 19223 1 173 173 THR . 19223 1 174 174 ARG . 19223 1 175 175 GLU . 19223 1 176 176 ILE . 19223 1 177 177 LEU . 19223 1 178 178 HIS . 19223 1 179 179 PHE . 19223 1 180 180 HIS . 19223 1 181 181 TYR . 19223 1 182 182 THR . 19223 1 183 183 THR . 19223 1 184 184 TRP . 19223 1 185 185 PRO . 19223 1 186 186 ASP . 19223 1 187 187 PHE . 19223 1 188 188 GLY . 19223 1 189 189 VAL . 19223 1 190 190 PRO . 19223 1 191 191 GLU . 19223 1 192 192 SER . 19223 1 193 193 PRO . 19223 1 194 194 ALA . 19223 1 195 195 SER . 19223 1 196 196 PHE . 19223 1 197 197 LEU . 19223 1 198 198 ASN . 19223 1 199 199 PHE . 19223 1 200 200 LEU . 19223 1 201 201 PHE . 19223 1 202 202 LYS . 19223 1 203 203 VAL . 19223 1 204 204 ARG . 19223 1 205 205 GLU . 19223 1 206 206 SER . 19223 1 207 207 GLY . 19223 1 208 208 SER . 19223 1 209 209 LEU . 19223 1 210 210 SER . 19223 1 211 211 PRO . 19223 1 212 212 GLU . 19223 1 213 213 HIS . 19223 1 214 214 GLY . 19223 1 215 215 PRO . 19223 1 216 216 VAL . 19223 1 217 217 VAL . 19223 1 218 218 VAL . 19223 1 219 219 HIS . 19223 1 220 220 CYS . 19223 1 221 221 SER . 19223 1 222 222 ALA . 19223 1 223 223 GLY . 19223 1 224 224 ILE . 19223 1 225 225 GLY . 19223 1 226 226 ARG . 19223 1 227 227 SER . 19223 1 228 228 GLY . 19223 1 229 229 THR . 19223 1 230 230 PHE . 19223 1 231 231 CYS . 19223 1 232 232 LEU . 19223 1 233 233 ALA . 19223 1 234 234 ASP . 19223 1 235 235 THR . 19223 1 236 236 CYS . 19223 1 237 237 LEU . 19223 1 238 238 LEU . 19223 1 239 239 LEU . 19223 1 240 240 MET . 19223 1 241 241 ASP . 19223 1 242 242 LYS . 19223 1 243 243 ARG . 19223 1 244 244 LYS . 19223 1 245 245 ASP . 19223 1 246 246 PRO . 19223 1 247 247 SER . 19223 1 248 248 SER . 19223 1 249 249 VAL . 19223 1 250 250 ASP . 19223 1 251 251 ILE . 19223 1 252 252 LYS . 19223 1 253 253 LYS . 19223 1 254 254 VAL . 19223 1 255 255 LEU . 19223 1 256 256 LEU . 19223 1 257 257 GLU . 19223 1 258 258 MET . 19223 1 259 259 ARG . 19223 1 260 260 LYS . 19223 1 261 261 PHE . 19223 1 262 262 ARG . 19223 1 263 263 MET . 19223 1 264 264 GLY . 19223 1 265 265 LEU . 19223 1 266 266 ILE . 19223 1 267 267 GLN . 19223 1 268 268 THR . 19223 1 269 269 ALA . 19223 1 270 270 ASP . 19223 1 271 271 GLN . 19223 1 272 272 LEU . 19223 1 273 273 ARG . 19223 1 274 274 PHE . 19223 1 275 275 SER . 19223 1 276 276 TYR . 19223 1 277 277 LEU . 19223 1 278 278 ALA . 19223 1 279 279 VAL . 19223 1 280 280 ILE . 19223 1 281 281 GLU . 19223 1 282 282 GLY . 19223 1 283 283 ALA . 19223 1 284 284 LYS . 19223 1 285 285 PHE . 19223 1 286 286 ILE . 19223 1 287 287 MET . 19223 1 288 288 GLY . 19223 1 289 289 ASP . 19223 1 290 290 SER . 19223 1 291 291 SER . 19223 1 292 292 VAL . 19223 1 293 293 GLN . 19223 1 294 294 ASP . 19223 1 295 295 GLN . 19223 1 296 296 TRP . 19223 1 297 297 LYS . 19223 1 298 298 GLU . 19223 1 299 299 LEU . 19223 1 300 300 SER . 19223 1 301 301 HIS . 19223 1 302 302 GLU . 19223 1 303 303 ASP . 19223 1 304 304 LEU . 19223 1 305 305 GLU . 19223 1 306 306 PRO . 19223 1 307 307 HIS . 19223 1 308 308 ASN . 19223 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 19223 1 . HIS 2 2 19223 1 . MET 3 3 19223 1 . ALA 4 4 19223 1 . SER 5 5 19223 1 . MET 6 6 19223 1 . GLU 7 7 19223 1 . MET 8 8 19223 1 . GLU 9 9 19223 1 . LYS 10 10 19223 1 . GLU 11 11 19223 1 . PHE 12 12 19223 1 . GLU 13 13 19223 1 . GLN 14 14 19223 1 . ILE 15 15 19223 1 . ASP 16 16 19223 1 . LYS 17 17 19223 1 . SER 18 18 19223 1 . GLY 19 19 19223 1 . SER 20 20 19223 1 . TRP 21 21 19223 1 . ALA 22 22 19223 1 . ALA 23 23 19223 1 . ILE 24 24 19223 1 . TYR 25 25 19223 1 . GLN 26 26 19223 1 . ASP 27 27 19223 1 . ILE 28 28 19223 1 . ARG 29 29 19223 1 . HIS 30 30 19223 1 . GLU 31 31 19223 1 . ALA 32 32 19223 1 . SER 33 33 19223 1 . ASP 34 34 19223 1 . PHE 35 35 19223 1 . PRO 36 36 19223 1 . CYS 37 37 19223 1 . ARG 38 38 19223 1 . VAL 39 39 19223 1 . ALA 40 40 19223 1 . LYS 41 41 19223 1 . LEU 42 42 19223 1 . PRO 43 43 19223 1 . LYS 44 44 19223 1 . ASN 45 45 19223 1 . LYS 46 46 19223 1 . ASN 47 47 19223 1 . ARG 48 48 19223 1 . ASN 49 49 19223 1 . ARG 50 50 19223 1 . TYR 51 51 19223 1 . ARG 52 52 19223 1 . ASP 53 53 19223 1 . VAL 54 54 19223 1 . SER 55 55 19223 1 . PRO 56 56 19223 1 . PHE 57 57 19223 1 . ASP 58 58 19223 1 . HIS 59 59 19223 1 . SER 60 60 19223 1 . ARG 61 61 19223 1 . ILE 62 62 19223 1 . LYS 63 63 19223 1 . LEU 64 64 19223 1 . HIS 65 65 19223 1 . GLN 66 66 19223 1 . GLU 67 67 19223 1 . ASP 68 68 19223 1 . ASN 69 69 19223 1 . ASP 70 70 19223 1 . TYR 71 71 19223 1 . ILE 72 72 19223 1 . ASN 73 73 19223 1 . ALA 74 74 19223 1 . SER 75 75 19223 1 . LEU 76 76 19223 1 . ILE 77 77 19223 1 . LYS 78 78 19223 1 . MET 79 79 19223 1 . GLU 80 80 19223 1 . GLU 81 81 19223 1 . ALA 82 82 19223 1 . GLN 83 83 19223 1 . ARG 84 84 19223 1 . SER 85 85 19223 1 . TYR 86 86 19223 1 . ILE 87 87 19223 1 . LEU 88 88 19223 1 . THR 89 89 19223 1 . GLN 90 90 19223 1 . GLY 91 91 19223 1 . PRO 92 92 19223 1 . LEU 93 93 19223 1 . PRO 94 94 19223 1 . ASN 95 95 19223 1 . THR 96 96 19223 1 . CYS 97 97 19223 1 . GLY 98 98 19223 1 . HIS 99 99 19223 1 . PHE 100 100 19223 1 . TRP 101 101 19223 1 . GLU 102 102 19223 1 . MET 103 103 19223 1 . VAL 104 104 19223 1 . TRP 105 105 19223 1 . GLU 106 106 19223 1 . GLN 107 107 19223 1 . LYS 108 108 19223 1 . SER 109 109 19223 1 . ARG 110 110 19223 1 . GLY 111 111 19223 1 . VAL 112 112 19223 1 . VAL 113 113 19223 1 . MET 114 114 19223 1 . LEU 115 115 19223 1 . ASN 116 116 19223 1 . ARG 117 117 19223 1 . VAL 118 118 19223 1 . MET 119 119 19223 1 . GLU 120 120 19223 1 . LYS 121 121 19223 1 . GLY 122 122 19223 1 . SER 123 123 19223 1 . LEU 124 124 19223 1 . LYS 125 125 19223 1 . CYS 126 126 19223 1 . ALA 127 127 19223 1 . GLN 128 128 19223 1 . TYR 129 129 19223 1 . TRP 130 130 19223 1 . PRO 131 131 19223 1 . GLN 132 132 19223 1 . LYS 133 133 19223 1 . GLU 134 134 19223 1 . GLU 135 135 19223 1 . LYS 136 136 19223 1 . GLU 137 137 19223 1 . MET 138 138 19223 1 . ILE 139 139 19223 1 . PHE 140 140 19223 1 . GLU 141 141 19223 1 . ASP 142 142 19223 1 . THR 143 143 19223 1 . ASN 144 144 19223 1 . LEU 145 145 19223 1 . LYS 146 146 19223 1 . LEU 147 147 19223 1 . THR 148 148 19223 1 . LEU 149 149 19223 1 . ILE 150 150 19223 1 . SER 151 151 19223 1 . GLU 152 152 19223 1 . ASP 153 153 19223 1 . ILE 154 154 19223 1 . LYS 155 155 19223 1 . SER 156 156 19223 1 . TYR 157 157 19223 1 . TYR 158 158 19223 1 . THR 159 159 19223 1 . VAL 160 160 19223 1 . ARG 161 161 19223 1 . GLN 162 162 19223 1 . LEU 163 163 19223 1 . GLU 164 164 19223 1 . LEU 165 165 19223 1 . GLU 166 166 19223 1 . ASN 167 167 19223 1 . LEU 168 168 19223 1 . THR 169 169 19223 1 . THR 170 170 19223 1 . GLN 171 171 19223 1 . GLU 172 172 19223 1 . THR 173 173 19223 1 . ARG 174 174 19223 1 . GLU 175 175 19223 1 . ILE 176 176 19223 1 . LEU 177 177 19223 1 . HIS 178 178 19223 1 . PHE 179 179 19223 1 . HIS 180 180 19223 1 . TYR 181 181 19223 1 . THR 182 182 19223 1 . THR 183 183 19223 1 . TRP 184 184 19223 1 . PRO 185 185 19223 1 . ASP 186 186 19223 1 . PHE 187 187 19223 1 . GLY 188 188 19223 1 . VAL 189 189 19223 1 . PRO 190 190 19223 1 . GLU 191 191 19223 1 . SER 192 192 19223 1 . PRO 193 193 19223 1 . ALA 194 194 19223 1 . SER 195 195 19223 1 . PHE 196 196 19223 1 . LEU 197 197 19223 1 . ASN 198 198 19223 1 . PHE 199 199 19223 1 . LEU 200 200 19223 1 . PHE 201 201 19223 1 . LYS 202 202 19223 1 . VAL 203 203 19223 1 . ARG 204 204 19223 1 . GLU 205 205 19223 1 . SER 206 206 19223 1 . GLY 207 207 19223 1 . SER 208 208 19223 1 . LEU 209 209 19223 1 . SER 210 210 19223 1 . PRO 211 211 19223 1 . GLU 212 212 19223 1 . HIS 213 213 19223 1 . GLY 214 214 19223 1 . PRO 215 215 19223 1 . VAL 216 216 19223 1 . VAL 217 217 19223 1 . VAL 218 218 19223 1 . HIS 219 219 19223 1 . CYS 220 220 19223 1 . SER 221 221 19223 1 . ALA 222 222 19223 1 . GLY 223 223 19223 1 . ILE 224 224 19223 1 . GLY 225 225 19223 1 . ARG 226 226 19223 1 . SER 227 227 19223 1 . GLY 228 228 19223 1 . THR 229 229 19223 1 . PHE 230 230 19223 1 . CYS 231 231 19223 1 . LEU 232 232 19223 1 . ALA 233 233 19223 1 . ASP 234 234 19223 1 . THR 235 235 19223 1 . CYS 236 236 19223 1 . LEU 237 237 19223 1 . LEU 238 238 19223 1 . LEU 239 239 19223 1 . MET 240 240 19223 1 . ASP 241 241 19223 1 . LYS 242 242 19223 1 . ARG 243 243 19223 1 . LYS 244 244 19223 1 . ASP 245 245 19223 1 . PRO 246 246 19223 1 . SER 247 247 19223 1 . SER 248 248 19223 1 . VAL 249 249 19223 1 . ASP 250 250 19223 1 . ILE 251 251 19223 1 . LYS 252 252 19223 1 . LYS 253 253 19223 1 . VAL 254 254 19223 1 . LEU 255 255 19223 1 . LEU 256 256 19223 1 . GLU 257 257 19223 1 . MET 258 258 19223 1 . ARG 259 259 19223 1 . LYS 260 260 19223 1 . PHE 261 261 19223 1 . ARG 262 262 19223 1 . MET 263 263 19223 1 . GLY 264 264 19223 1 . LEU 265 265 19223 1 . ILE 266 266 19223 1 . GLN 267 267 19223 1 . THR 268 268 19223 1 . ALA 269 269 19223 1 . ASP 270 270 19223 1 . GLN 271 271 19223 1 . LEU 272 272 19223 1 . ARG 273 273 19223 1 . PHE 274 274 19223 1 . SER 275 275 19223 1 . TYR 276 276 19223 1 . LEU 277 277 19223 1 . ALA 278 278 19223 1 . VAL 279 279 19223 1 . ILE 280 280 19223 1 . GLU 281 281 19223 1 . GLY 282 282 19223 1 . ALA 283 283 19223 1 . LYS 284 284 19223 1 . PHE 285 285 19223 1 . ILE 286 286 19223 1 . MET 287 287 19223 1 . GLY 288 288 19223 1 . ASP 289 289 19223 1 . SER 290 290 19223 1 . SER 291 291 19223 1 . VAL 292 292 19223 1 . GLN 293 293 19223 1 . ASP 294 294 19223 1 . GLN 295 295 19223 1 . TRP 296 296 19223 1 . LYS 297 297 19223 1 . GLU 298 298 19223 1 . LEU 299 299 19223 1 . SER 300 300 19223 1 . HIS 301 301 19223 1 . GLU 302 302 19223 1 . ASP 303 303 19223 1 . LEU 304 304 19223 1 . GLU 305 305 19223 1 . PRO 306 306 19223 1 . HIS 307 307 19223 1 . ASN 308 308 19223 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19223 _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 $PTP1B . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19223 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 19223 _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 $PTP1B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pRP1B . . . . . . 19223 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19223 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTP1B '[U-99% 2H; U-99%15N]' . . 1 $PTP1B . . 1 . . mM . . . . 19223 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19223 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19223 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 19223 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19223 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19223 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19223 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTP1B '[U-99% 2H; U-99%15N; U-99% 13C]' . . 1 $PTP1B . . 1 . . mM . . . . 19223 2 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19223 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19223 2 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 19223 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19223 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19223 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19223 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTP1B [U-15N]-Leu . . 1 $PTP1B . . 0.42 . . mM . . . . 19223 3 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19223 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19223 3 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 19223 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19223 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19223 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19223 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTP1B [U-15N]-Tyr . . 1 $PTP1B . . 1.0 . . mM . . . . 19223 4 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19223 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19223 4 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 19223 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19223 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19223 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19223 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTP1B [U-15N]-Phe . . 1 $PTP1B . . 1.0 . . mM . . . . 19223 5 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19223 5 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19223 5 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 19223 5 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19223 5 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19223 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19223 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTP1B [U-15N]-Val . . 1 $PTP1B . . 0.6 . . mM . . . . 19223 6 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19223 6 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19223 6 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 19223 6 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19223 6 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19223 6 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 19223 _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' 0.2 . M 19223 1 pH 6.8 . pH 19223 1 pressure 1 . atm 19223 1 temperature 298 . K 19223 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19223 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19223 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19223 1 processing 19223 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19223 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19223 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19223 2 'peak picking' 19223 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 19223 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19223 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 19223 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19223 1 2 spectrometer_2 Bruker Avance . 500 . . . 19223 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 19223 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19223 1 2 '2D 1H-15N TROSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19223 1 3 '2D 1H-15N TROSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19223 1 4 '2D 1H-15N TROSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19223 1 5 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19223 1 6 '3D TROSY HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19223 1 7 '3D TROSY HNCOCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19223 1 8 '3D TROSY HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19223 1 9 '3D TROSY HNCOCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19223 1 10 '3D 1H-15N TROSY NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19223 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 19223 _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 na indirect 0.251449530 . . . . . . . . . 19223 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19223 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19223 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 19223 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 19223 1 2 '2D 1H-15N TROSY' . . . 19223 1 3 '2D 1H-15N TROSY' . . . 19223 1 4 '2D 1H-15N TROSY' . . . 19223 1 5 '2D 1H-15N TROSY' . . . 19223 1 6 '3D TROSY HNCA' . . . 19223 1 7 '3D TROSY HNCOCA' . . . 19223 1 8 '3D TROSY HNCACB' . . . 19223 1 9 '3D TROSY HNCOCACB' . . . 19223 1 10 '3D 1H-15N TROSY NOESY' . . . 19223 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 5 5 SER CA C 13 60.461 0.100 . 1 . . . . 5 SER CA . 19223 1 2 . 1 1 6 6 MET H H 1 8.659 0.010 . 1 . . . . 6 MET H . 19223 1 3 . 1 1 6 6 MET CA C 13 59.994 0.100 . 1 . . . . 6 MET CA . 19223 1 4 . 1 1 6 6 MET CB C 13 33.577 0.100 . 1 . . . . 6 MET CB . 19223 1 5 . 1 1 6 6 MET N N 15 119.416 0.050 . 1 . . . . 6 MET N . 19223 1 6 . 1 1 7 7 GLU H H 1 7.904 0.010 . 1 . . . . 7 GLU H . 19223 1 7 . 1 1 7 7 GLU CA C 13 60.315 0.100 . 1 . . . . 7 GLU CA . 19223 1 8 . 1 1 7 7 GLU CB C 13 30.111 0.100 . 1 . . . . 7 GLU CB . 19223 1 9 . 1 1 7 7 GLU N N 15 119.741 0.050 . 1 . . . . 7 GLU N . 19223 1 10 . 1 1 8 8 MET H H 1 7.683 0.010 . 1 . . . . 8 MET H . 19223 1 11 . 1 1 8 8 MET CA C 13 59.789 0.100 . 1 . . . . 8 MET CA . 19223 1 12 . 1 1 8 8 MET CB C 13 31.986 0.100 . 1 . . . . 8 MET CB . 19223 1 13 . 1 1 8 8 MET N N 15 120.983 0.050 . 1 . . . . 8 MET N . 19223 1 14 . 1 1 9 9 GLU CA C 13 59.409 0.100 . 1 . . . . 9 GLU CA . 19223 1 15 . 1 1 10 10 LYS H H 1 8.363 0.010 . 1 . . . . 10 LYS H . 19223 1 16 . 1 1 10 10 LYS CA C 13 59.760 0.100 . 1 . . . . 10 LYS CA . 19223 1 17 . 1 1 10 10 LYS CB C 13 29.636 0.100 . 1 . . . . 10 LYS CB . 19223 1 18 . 1 1 10 10 LYS N N 15 120.105 0.050 . 1 . . . . 10 LYS N . 19223 1 19 . 1 1 11 11 GLU H H 1 8.198 0.010 . 1 . . . . 11 GLU H . 19223 1 20 . 1 1 11 11 GLU CA C 13 60.023 0.100 . 1 . . . . 11 GLU CA . 19223 1 21 . 1 1 11 11 GLU CB C 13 29.880 0.100 . 1 . . . . 11 GLU CB . 19223 1 22 . 1 1 11 11 GLU N N 15 121.829 0.050 . 1 . . . . 11 GLU N . 19223 1 23 . 1 1 12 12 PHE H H 1 8.498 0.010 . 1 . . . . 12 PHE H . 19223 1 24 . 1 1 12 12 PHE CA C 13 62.828 0.100 . 1 . . . . 12 PHE CA . 19223 1 25 . 1 1 12 12 PHE CB C 13 40.372 0.100 . 1 . . . . 12 PHE CB . 19223 1 26 . 1 1 12 12 PHE N N 15 119.839 0.050 . 1 . . . . 12 PHE N . 19223 1 27 . 1 1 13 13 GLU H H 1 8.208 0.010 . 1 . . . . 13 GLU H . 19223 1 28 . 1 1 13 13 GLU CA C 13 59.965 0.100 . 1 . . . . 13 GLU CA . 19223 1 29 . 1 1 13 13 GLU CB C 13 29.636 0.100 . 1 . . . . 13 GLU CB . 19223 1 30 . 1 1 13 13 GLU N N 15 117.957 0.050 . 1 . . . . 13 GLU N . 19223 1 31 . 1 1 14 14 GLN H H 1 7.751 0.010 . 1 . . . . 14 GLN H . 19223 1 32 . 1 1 14 14 GLN CA C 13 59.322 0.100 . 1 . . . . 14 GLN CA . 19223 1 33 . 1 1 14 14 GLN CB C 13 28.272 0.100 . 1 . . . . 14 GLN CB . 19223 1 34 . 1 1 14 14 GLN N N 15 119.229 0.050 . 1 . . . . 14 GLN N . 19223 1 35 . 1 1 15 15 ILE H H 1 8.144 0.010 . 1 . . . . 15 ILE H . 19223 1 36 . 1 1 15 15 ILE CA C 13 65.410 0.100 . 1 . . . . 15 ILE CA . 19223 1 37 . 1 1 15 15 ILE CB C 13 37.917 0.100 . 1 . . . . 15 ILE CB . 19223 1 38 . 1 1 15 15 ILE N N 15 123.314 0.050 . 1 . . . . 15 ILE N . 19223 1 39 . 1 1 16 16 ASP H H 1 8.401 0.010 . 1 . . . . 16 ASP H . 19223 1 40 . 1 1 16 16 ASP CA C 13 58.351 0.100 . 1 . . . . 16 ASP CA . 19223 1 41 . 1 1 16 16 ASP CB C 13 41.687 0.100 . 1 . . . . 16 ASP CB . 19223 1 42 . 1 1 16 16 ASP N N 15 119.839 0.050 . 1 . . . . 16 ASP N . 19223 1 43 . 1 1 17 17 LYS H H 1 8.337 0.010 . 1 . . . . 17 LYS H . 19223 1 44 . 1 1 17 17 LYS CA C 13 59.421 0.100 . 1 . . . . 17 LYS CA . 19223 1 45 . 1 1 17 17 LYS CB C 13 32.213 0.100 . 1 . . . . 17 LYS CB . 19223 1 46 . 1 1 17 17 LYS N N 15 118.363 0.050 . 1 . . . . 17 LYS N . 19223 1 47 . 1 1 18 18 SER H H 1 7.519 0.010 . 1 . . . . 18 SER H . 19223 1 48 . 1 1 18 18 SER CA C 13 59.059 0.100 . 1 . . . . 18 SER CA . 19223 1 49 . 1 1 18 18 SER CB C 13 64.698 0.100 . 1 . . . . 18 SER CB . 19223 1 50 . 1 1 18 18 SER N N 15 111.723 0.050 . 1 . . . . 18 SER N . 19223 1 51 . 1 1 19 19 GLY H H 1 7.801 0.010 . 1 . . . . 19 GLY H . 19223 1 52 . 1 1 19 19 GLY CA C 13 47.432 0.100 . 1 . . . . 19 GLY CA . 19223 1 53 . 1 1 19 19 GLY N N 15 113.394 0.050 . 1 . . . . 19 GLY N . 19223 1 54 . 1 1 20 20 SER H H 1 7.777 0.010 . 1 . . . . 20 SER H . 19223 1 55 . 1 1 20 20 SER CA C 13 59.176 0.100 . 1 . . . . 20 SER CA . 19223 1 56 . 1 1 20 20 SER CB C 13 63.743 0.100 . 1 . . . . 20 SER CB . 19223 1 57 . 1 1 20 20 SER N N 15 111.868 0.050 . 1 . . . . 20 SER N . 19223 1 58 . 1 1 21 21 TRP H H 1 7.109 0.010 . 1 . . . . 21 TRP H . 19223 1 59 . 1 1 21 21 TRP CA C 13 61.016 0.100 . 1 . . . . 21 TRP CA . 19223 1 60 . 1 1 21 21 TRP CB C 13 29.235 0.100 . 1 . . . . 21 TRP CB . 19223 1 61 . 1 1 21 21 TRP N N 15 122.153 0.050 . 1 . . . . 21 TRP N . 19223 1 62 . 1 1 22 22 ALA H H 1 8.664 0.010 . 1 . . . . 22 ALA H . 19223 1 63 . 1 1 22 22 ALA CA C 13 56.021 0.100 . 1 . . . . 22 ALA CA . 19223 1 64 . 1 1 22 22 ALA CB C 13 17.812 0.100 . 1 . . . . 22 ALA CB . 19223 1 65 . 1 1 22 22 ALA N N 15 119.712 0.050 . 1 . . . . 22 ALA N . 19223 1 66 . 1 1 23 23 ALA H H 1 7.617 0.010 . 1 . . . . 23 ALA H . 19223 1 67 . 1 1 23 23 ALA CA C 13 55.553 0.100 . 1 . . . . 23 ALA CA . 19223 1 68 . 1 1 23 23 ALA CB C 13 18.061 0.100 . 1 . . . . 23 ALA CB . 19223 1 69 . 1 1 23 23 ALA N N 15 123.018 0.050 . 1 . . . . 23 ALA N . 19223 1 70 . 1 1 24 24 ILE H H 1 7.896 0.010 . 1 . . . . 24 ILE H . 19223 1 71 . 1 1 24 24 ILE CA C 13 63.821 0.100 . 1 . . . . 24 ILE CA . 19223 1 72 . 1 1 24 24 ILE CB C 13 37.064 0.100 . 1 . . . . 24 ILE CB . 19223 1 73 . 1 1 24 24 ILE N N 15 119.532 0.050 . 1 . . . . 24 ILE N . 19223 1 74 . 1 1 25 25 TYR H H 1 8.516 0.010 . 1 . . . . 25 TYR H . 19223 1 75 . 1 1 25 25 TYR CA C 13 62.740 0.100 . 1 . . . . 25 TYR CA . 19223 1 76 . 1 1 25 25 TYR CB C 13 38.807 0.100 . 1 . . . . 25 TYR CB . 19223 1 77 . 1 1 25 25 TYR N N 15 120.489 0.050 . 1 . . . . 25 TYR N . 19223 1 78 . 1 1 26 26 GLN H H 1 8.125 0.010 . 1 . . . . 26 GLN H . 19223 1 79 . 1 1 26 26 GLN CA C 13 59.127 0.100 . 1 . . . . 26 GLN CA . 19223 1 80 . 1 1 26 26 GLN CB C 13 27.871 0.100 . 1 . . . . 26 GLN CB . 19223 1 81 . 1 1 26 26 GLN N N 15 118.413 0.050 . 1 . . . . 26 GLN N . 19223 1 82 . 1 1 27 27 ASP H H 1 7.772 0.010 . 1 . . . . 27 ASP H . 19223 1 83 . 1 1 27 27 ASP CA C 13 58.241 0.100 . 1 . . . . 27 ASP CA . 19223 1 84 . 1 1 27 27 ASP CB C 13 40.323 0.100 . 1 . . . . 27 ASP CB . 19223 1 85 . 1 1 27 27 ASP N N 15 121.091 0.050 . 1 . . . . 27 ASP N . 19223 1 86 . 1 1 28 28 ILE H H 1 7.617 0.010 . 1 . . . . 28 ILE H . 19223 1 87 . 1 1 28 28 ILE CA C 13 65.457 0.100 . 1 . . . . 28 ILE CA . 19223 1 88 . 1 1 28 28 ILE CB C 13 37.215 0.100 . 1 . . . . 28 ILE CB . 19223 1 89 . 1 1 28 28 ILE N N 15 120.665 0.050 . 1 . . . . 28 ILE N . 19223 1 90 . 1 1 29 29 ARG H H 1 7.657 0.010 . 1 . . . . 29 ARG H . 19223 1 91 . 1 1 29 29 ARG CA C 13 60.315 0.100 . 1 . . . . 29 ARG CA . 19223 1 92 . 1 1 29 29 ARG CB C 13 29.788 0.100 . 1 . . . . 29 ARG CB . 19223 1 93 . 1 1 29 29 ARG N N 15 117.975 0.050 . 1 . . . . 29 ARG N . 19223 1 94 . 1 1 30 30 HIS H H 1 8.099 0.010 . 1 . . . . 30 HIS H . 19223 1 95 . 1 1 30 30 HIS CA C 13 58.535 0.100 . 1 . . . . 30 HIS CA . 19223 1 96 . 1 1 30 30 HIS CB C 13 29.863 0.100 . 1 . . . . 30 HIS CB . 19223 1 97 . 1 1 30 30 HIS N N 15 116.927 0.050 . 1 . . . . 30 HIS N . 19223 1 98 . 1 1 31 31 GLU H H 1 7.745 0.010 . 1 . . . . 31 GLU H . 19223 1 99 . 1 1 31 31 GLU CA C 13 56.868 0.100 . 1 . . . . 31 GLU CA . 19223 1 100 . 1 1 31 31 GLU CB C 13 30.900 0.100 . 1 . . . . 31 GLU CB . 19223 1 101 . 1 1 31 31 GLU N N 15 118.039 0.050 . 1 . . . . 31 GLU N . 19223 1 102 . 1 1 32 32 ALA H H 1 7.363 0.010 . 1 . . . . 32 ALA H . 19223 1 103 . 1 1 32 32 ALA CA C 13 53.362 0.100 . 1 . . . . 32 ALA CA . 19223 1 104 . 1 1 32 32 ALA CB C 13 19.345 0.100 . 1 . . . . 32 ALA CB . 19223 1 105 . 1 1 32 32 ALA N N 15 123.680 0.050 . 1 . . . . 32 ALA N . 19223 1 106 . 1 1 33 33 SER H H 1 7.938 0.010 . 1 . . . . 33 SER H . 19223 1 107 . 1 1 33 33 SER CA C 13 59.789 0.100 . 1 . . . . 33 SER CA . 19223 1 108 . 1 1 33 33 SER CB C 13 65.107 0.100 . 1 . . . . 33 SER CB . 19223 1 109 . 1 1 33 33 SER N N 15 117.557 0.050 . 1 . . . . 33 SER N . 19223 1 110 . 1 1 34 34 ASP H H 1 8.045 0.010 . 1 . . . . 34 ASP H . 19223 1 111 . 1 1 34 34 ASP CA C 13 54.268 0.100 . 1 . . . . 34 ASP CA . 19223 1 112 . 1 1 34 34 ASP CB C 13 43.730 0.100 . 1 . . . . 34 ASP CB . 19223 1 113 . 1 1 34 34 ASP N N 15 122.763 0.050 . 1 . . . . 34 ASP N . 19223 1 114 . 1 1 35 35 PHE H H 1 6.723 0.010 . 1 . . . . 35 PHE H . 19223 1 115 . 1 1 35 35 PHE CA C 13 55.728 0.100 . 1 . . . . 35 PHE CA . 19223 1 116 . 1 1 35 35 PHE CB C 13 41.012 0.100 . 1 . . . . 35 PHE CB . 19223 1 117 . 1 1 35 35 PHE N N 15 119.800 0.050 . 1 . . . . 35 PHE N . 19223 1 118 . 1 1 36 36 PRO CA C 13 64.902 0.100 . 1 . . . . 36 PRO CA . 19223 1 119 . 1 1 36 36 PRO CB C 13 32.895 0.100 . 1 . . . . 36 PRO CB . 19223 1 120 . 1 1 37 37 CYS H H 1 9.111 0.010 . 1 . . . . 37 CYS H . 19223 1 121 . 1 1 37 37 CYS CA C 13 56.926 0.100 . 1 . . . . 37 CYS CA . 19223 1 122 . 1 1 37 37 CYS CB C 13 28.802 0.100 . 1 . . . . 37 CYS CB . 19223 1 123 . 1 1 37 37 CYS N N 15 126.602 0.050 . 1 . . . . 37 CYS N . 19223 1 124 . 1 1 38 38 ARG H H 1 9.461 0.010 . 1 . . . . 38 ARG H . 19223 1 125 . 1 1 38 38 ARG CA C 13 60.344 0.100 . 1 . . . . 38 ARG CA . 19223 1 126 . 1 1 38 38 ARG CB C 13 30.546 0.100 . 1 . . . . 38 ARG CB . 19223 1 127 . 1 1 38 38 ARG N N 15 122.145 0.050 . 1 . . . . 38 ARG N . 19223 1 128 . 1 1 39 39 VAL H H 1 9.484 0.010 . 1 . . . . 39 VAL H . 19223 1 129 . 1 1 39 39 VAL CA C 13 67.473 0.100 . 1 . . . . 39 VAL CA . 19223 1 130 . 1 1 39 39 VAL CB C 13 30.621 0.100 . 1 . . . . 39 VAL CB . 19223 1 131 . 1 1 39 39 VAL N N 15 121.718 0.050 . 1 . . . . 39 VAL N . 19223 1 132 . 1 1 40 40 ALA H H 1 8.492 0.010 . 1 . . . . 40 ALA H . 19223 1 133 . 1 1 40 40 ALA CA C 13 55.173 0.100 . 1 . . . . 40 ALA CA . 19223 1 134 . 1 1 40 40 ALA CB C 13 21.147 0.100 . 1 . . . . 40 ALA CB . 19223 1 135 . 1 1 40 40 ALA N N 15 121.902 0.050 . 1 . . . . 40 ALA N . 19223 1 136 . 1 1 41 41 LYS H H 1 6.752 0.010 . 1 . . . . 41 LYS H . 19223 1 137 . 1 1 41 41 LYS CA C 13 55.845 0.100 . 1 . . . . 41 LYS CA . 19223 1 138 . 1 1 41 41 LYS CB C 13 32.744 0.100 . 1 . . . . 41 LYS CB . 19223 1 139 . 1 1 41 41 LYS N N 15 111.437 0.050 . 1 . . . . 41 LYS N . 19223 1 140 . 1 1 42 42 LEU H H 1 7.438 0.010 . 1 . . . . 42 LEU H . 19223 1 141 . 1 1 42 42 LEU CA C 13 54.589 0.100 . 1 . . . . 42 LEU CA . 19223 1 142 . 1 1 42 42 LEU CB C 13 41.081 0.100 . 1 . . . . 42 LEU CB . 19223 1 143 . 1 1 42 42 LEU N N 15 123.792 0.050 . 1 . . . . 42 LEU N . 19223 1 144 . 1 1 43 43 PRO CA C 13 66.596 0.100 . 1 . . . . 43 PRO CA . 19223 1 145 . 1 1 43 43 PRO CB C 13 31.356 0.100 . 1 . . . . 43 PRO CB . 19223 1 146 . 1 1 44 44 LYS H H 1 8.080 0.010 . 1 . . . . 44 LYS H . 19223 1 147 . 1 1 44 44 LYS CA C 13 58.533 0.100 . 1 . . . . 44 LYS CA . 19223 1 148 . 1 1 44 44 LYS CB C 13 31.304 0.100 . 1 . . . . 44 LYS CB . 19223 1 149 . 1 1 44 44 LYS N N 15 114.427 0.050 . 1 . . . . 44 LYS N . 19223 1 150 . 1 1 45 45 ASN H H 1 7.697 0.010 . 1 . . . . 45 ASN H . 19223 1 151 . 1 1 45 45 ASN CA C 13 53.508 0.100 . 1 . . . . 45 ASN CA . 19223 1 152 . 1 1 45 45 ASN CB C 13 39.717 0.100 . 1 . . . . 45 ASN CB . 19223 1 153 . 1 1 45 45 ASN N N 15 117.163 0.050 . 1 . . . . 45 ASN N . 19223 1 154 . 1 1 46 46 LYS H H 1 7.362 0.010 . 1 . . . . 46 LYS H . 19223 1 155 . 1 1 46 46 LYS CA C 13 61.279 0.100 . 1 . . . . 46 LYS CA . 19223 1 156 . 1 1 46 46 LYS CB C 13 32.481 0.100 . 1 . . . . 46 LYS CB . 19223 1 157 . 1 1 46 46 LYS N N 15 123.743 0.050 . 1 . . . . 46 LYS N . 19223 1 158 . 1 1 47 47 ASN H H 1 8.349 0.010 . 1 . . . . 47 ASN H . 19223 1 159 . 1 1 47 47 ASN CA C 13 53.567 0.100 . 1 . . . . 47 ASN CA . 19223 1 160 . 1 1 47 47 ASN CB C 13 37.291 0.100 . 1 . . . . 47 ASN CB . 19223 1 161 . 1 1 47 47 ASN N N 15 113.975 0.050 . 1 . . . . 47 ASN N . 19223 1 162 . 1 1 48 48 ARG H H 1 7.840 0.010 . 1 . . . . 48 ARG H . 19223 1 163 . 1 1 48 48 ARG CA C 13 56.693 0.100 . 1 . . . . 48 ARG CA . 19223 1 164 . 1 1 48 48 ARG CB C 13 31.455 0.100 . 1 . . . . 48 ARG CB . 19223 1 165 . 1 1 48 48 ARG N N 15 115.406 0.050 . 1 . . . . 48 ARG N . 19223 1 166 . 1 1 49 49 ASN H H 1 7.446 0.010 . 1 . . . . 49 ASN H . 19223 1 167 . 1 1 49 49 ASN CA C 13 53.041 0.100 . 1 . . . . 49 ASN CA . 19223 1 168 . 1 1 49 49 ASN CB C 13 41.692 0.100 . 1 . . . . 49 ASN CB . 19223 1 169 . 1 1 49 49 ASN N N 15 120.143 0.050 . 1 . . . . 49 ASN N . 19223 1 170 . 1 1 50 50 ARG H H 1 9.150 0.010 . 1 . . . . 50 ARG H . 19223 1 171 . 1 1 50 50 ARG CA C 13 59.639 0.100 . 1 . . . . 50 ARG CA . 19223 1 172 . 1 1 50 50 ARG CB C 13 31.109 0.100 . 1 . . . . 50 ARG CB . 19223 1 173 . 1 1 50 50 ARG N N 15 126.360 0.050 . 1 . . . . 50 ARG N . 19223 1 174 . 1 1 51 51 TYR H H 1 9.390 0.010 . 1 . . . . 51 TYR H . 19223 1 175 . 1 1 51 51 TYR CA C 13 56.693 0.100 . 1 . . . . 51 TYR CA . 19223 1 176 . 1 1 51 51 TYR CB C 13 40.323 0.100 . 1 . . . . 51 TYR CB . 19223 1 177 . 1 1 51 51 TYR N N 15 117.616 0.050 . 1 . . . . 51 TYR N . 19223 1 178 . 1 1 52 52 ARG CA C 13 58.738 0.100 . 1 . . . . 52 ARG CA . 19223 1 179 . 1 1 52 52 ARG CB C 13 30.091 0.100 . 1 . . . . 52 ARG CB . 19223 1 180 . 1 1 53 53 ASP H H 1 8.557 0.010 . 1 . . . . 53 ASP H . 19223 1 181 . 1 1 53 53 ASP CA C 13 53.859 0.100 . 1 . . . . 53 ASP CA . 19223 1 182 . 1 1 53 53 ASP CB C 13 40.626 0.100 . 1 . . . . 53 ASP CB . 19223 1 183 . 1 1 53 53 ASP N N 15 113.370 0.050 . 1 . . . . 53 ASP N . 19223 1 184 . 1 1 54 54 VAL H H 1 6.962 0.010 . 1 . . . . 54 VAL H . 19223 1 185 . 1 1 54 54 VAL CA C 13 63.266 0.100 . 1 . . . . 54 VAL CA . 19223 1 186 . 1 1 54 54 VAL CB C 13 32.632 0.100 . 1 . . . . 54 VAL CB . 19223 1 187 . 1 1 54 54 VAL N N 15 119.747 0.050 . 1 . . . . 54 VAL N . 19223 1 188 . 1 1 55 55 SER H H 1 7.892 0.010 . 1 . . . . 55 SER H . 19223 1 189 . 1 1 55 55 SER CA C 13 56.167 0.100 . 1 . . . . 55 SER CA . 19223 1 190 . 1 1 55 55 SER CB C 13 65.259 0.100 . 1 . . . . 55 SER CB . 19223 1 191 . 1 1 55 55 SER N N 15 123.903 0.050 . 1 . . . . 55 SER N . 19223 1 192 . 1 1 56 56 PRO CA C 13 62.565 0.100 . 1 . . . . 56 PRO CA . 19223 1 193 . 1 1 56 56 PRO CB C 13 32.255 0.100 . 1 . . . . 56 PRO CB . 19223 1 194 . 1 1 57 57 PHE H H 1 7.194 0.010 . 1 . . . . 57 PHE H . 19223 1 195 . 1 1 57 57 PHE CA C 13 56.167 0.100 . 1 . . . . 57 PHE CA . 19223 1 196 . 1 1 57 57 PHE CB C 13 39.578 0.100 . 1 . . . . 57 PHE CB . 19223 1 197 . 1 1 57 57 PHE N N 15 124.706 0.050 . 1 . . . . 57 PHE N . 19223 1 198 . 1 1 58 58 ASP H H 1 9.240 0.010 . 1 . . . . 58 ASP H . 19223 1 199 . 1 1 58 58 ASP CA C 13 59.497 0.100 . 1 . . . . 58 ASP CA . 19223 1 200 . 1 1 58 58 ASP CB C 13 41.005 0.100 . 1 . . . . 58 ASP CB . 19223 1 201 . 1 1 58 58 ASP N N 15 124.866 0.050 . 1 . . . . 58 ASP N . 19223 1 202 . 1 1 59 59 HIS H H 1 8.983 0.010 . 1 . . . . 59 HIS H . 19223 1 203 . 1 1 59 59 HIS CA C 13 59.789 0.100 . 1 . . . . 59 HIS CA . 19223 1 204 . 1 1 59 59 HIS CB C 13 30.518 0.100 . 1 . . . . 59 HIS CB . 19223 1 205 . 1 1 59 59 HIS N N 15 115.726 0.050 . 1 . . . . 59 HIS N . 19223 1 206 . 1 1 60 60 SER H H 1 6.324 0.010 . 1 . . . . 60 SER H . 19223 1 207 . 1 1 60 60 SER CA C 13 56.108 0.100 . 1 . . . . 60 SER CA . 19223 1 208 . 1 1 60 60 SER CB C 13 64.187 0.100 . 1 . . . . 60 SER CB . 19223 1 209 . 1 1 60 60 SER N N 15 108.673 0.050 . 1 . . . . 60 SER N . 19223 1 210 . 1 1 61 61 ARG H H 1 7.262 0.010 . 1 . . . . 61 ARG H . 19223 1 211 . 1 1 61 61 ARG CA C 13 56.167 0.100 . 1 . . . . 61 ARG CA . 19223 1 212 . 1 1 61 61 ARG CB C 13 28.764 0.100 . 1 . . . . 61 ARG CB . 19223 1 213 . 1 1 61 61 ARG N N 15 123.380 0.050 . 1 . . . . 61 ARG N . 19223 1 214 . 1 1 62 62 ILE H H 1 7.084 0.010 . 1 . . . . 62 ILE H . 19223 1 215 . 1 1 62 62 ILE CA C 13 57.890 0.100 . 1 . . . . 62 ILE CA . 19223 1 216 . 1 1 62 62 ILE CB C 13 36.180 0.100 . 1 . . . . 62 ILE CB . 19223 1 217 . 1 1 62 62 ILE N N 15 122.373 0.050 . 1 . . . . 62 ILE N . 19223 1 218 . 1 1 63 63 LYS H H 1 8.487 0.010 . 1 . . . . 63 LYS H . 19223 1 219 . 1 1 63 63 LYS CA C 13 55.699 0.100 . 1 . . . . 63 LYS CA . 19223 1 220 . 1 1 63 63 LYS CB C 13 32.971 0.100 . 1 . . . . 63 LYS CB . 19223 1 221 . 1 1 63 63 LYS N N 15 127.914 0.050 . 1 . . . . 63 LYS N . 19223 1 222 . 1 1 64 64 LEU H H 1 9.188 0.010 . 1 . . . . 64 LEU H . 19223 1 223 . 1 1 64 64 LEU CA C 13 54.589 0.100 . 1 . . . . 64 LEU CA . 19223 1 224 . 1 1 64 64 LEU CB C 13 42.293 0.100 . 1 . . . . 64 LEU CB . 19223 1 225 . 1 1 64 64 LEU N N 15 125.697 0.050 . 1 . . . . 64 LEU N . 19223 1 226 . 1 1 65 65 HIS H H 1 9.528 0.010 . 1 . . . . 65 HIS H . 19223 1 227 . 1 1 65 65 HIS CA C 13 54.677 0.100 . 1 . . . . 65 HIS CA . 19223 1 228 . 1 1 65 65 HIS CB C 13 27.286 0.100 . 1 . . . . 65 HIS CB . 19223 1 229 . 1 1 65 65 HIS N N 15 124.273 0.050 . 1 . . . . 65 HIS N . 19223 1 230 . 1 1 66 66 GLN H H 1 7.405 0.010 . 1 . . . . 66 GLN H . 19223 1 231 . 1 1 66 66 GLN CA C 13 55.144 0.100 . 1 . . . . 66 GLN CA . 19223 1 232 . 1 1 66 66 GLN CB C 13 31.651 0.100 . 1 . . . . 66 GLN CB . 19223 1 233 . 1 1 66 66 GLN N N 15 119.981 0.050 . 1 . . . . 66 GLN N . 19223 1 234 . 1 1 67 67 GLU H H 1 8.422 0.010 . 1 . . . . 67 GLU H . 19223 1 235 . 1 1 67 67 GLU CA C 13 58.460 0.100 . 1 . . . . 67 GLU CA . 19223 1 236 . 1 1 67 67 GLU CB C 13 30.552 0.100 . 1 . . . . 67 GLU CB . 19223 1 237 . 1 1 67 67 GLU N N 15 121.442 0.050 . 1 . . . . 67 GLU N . 19223 1 238 . 1 1 68 68 ASP H H 1 8.278 0.010 . 1 . . . . 68 ASP H . 19223 1 239 . 1 1 68 68 ASP CA C 13 57.160 0.100 . 1 . . . . 68 ASP CA . 19223 1 240 . 1 1 68 68 ASP CB C 13 41.460 0.100 . 1 . . . . 68 ASP CB . 19223 1 241 . 1 1 68 68 ASP N N 15 118.885 0.050 . 1 . . . . 68 ASP N . 19223 1 242 . 1 1 69 69 ASN H H 1 7.423 0.010 . 1 . . . . 69 ASN H . 19223 1 243 . 1 1 69 69 ASN CA C 13 54.005 0.100 . 1 . . . . 69 ASN CA . 19223 1 244 . 1 1 69 69 ASN CB C 13 38.276 0.100 . 1 . . . . 69 ASN CB . 19223 1 245 . 1 1 69 69 ASN N N 15 114.438 0.050 . 1 . . . . 69 ASN N . 19223 1 246 . 1 1 70 70 ASP H H 1 8.095 0.010 . 1 . . . . 70 ASP H . 19223 1 247 . 1 1 70 70 ASP CA C 13 53.830 0.100 . 1 . . . . 70 ASP CA . 19223 1 248 . 1 1 70 70 ASP CB C 13 42.142 0.100 . 1 . . . . 70 ASP CB . 19223 1 249 . 1 1 70 70 ASP N N 15 126.376 0.050 . 1 . . . . 70 ASP N . 19223 1 250 . 1 1 71 71 TYR H H 1 7.966 0.010 . 1 . . . . 71 TYR H . 19223 1 251 . 1 1 71 71 TYR CA C 13 61.454 0.100 . 1 . . . . 71 TYR CA . 19223 1 252 . 1 1 71 71 TYR CB C 13 39.280 0.100 . 1 . . . . 71 TYR CB . 19223 1 253 . 1 1 71 71 TYR N N 15 118.935 0.050 . 1 . . . . 71 TYR N . 19223 1 254 . 1 1 72 72 ILE H H 1 7.670 0.010 . 1 . . . . 72 ILE H . 19223 1 255 . 1 1 72 72 ILE CA C 13 59.409 0.100 . 1 . . . . 72 ILE CA . 19223 1 256 . 1 1 72 72 ILE CB C 13 42.218 0.100 . 1 . . . . 72 ILE CB . 19223 1 257 . 1 1 72 72 ILE N N 15 125.537 0.050 . 1 . . . . 72 ILE N . 19223 1 258 . 1 1 73 73 ASN H H 1 8.139 0.010 . 1 . . . . 73 ASN H . 19223 1 259 . 1 1 73 73 ASN CA C 13 53.099 0.100 . 1 . . . . 73 ASN CA . 19223 1 260 . 1 1 73 73 ASN CB C 13 36.230 0.100 . 1 . . . . 73 ASN CB . 19223 1 261 . 1 1 73 73 ASN N N 15 125.837 0.050 . 1 . . . . 73 ASN N . 19223 1 262 . 1 1 74 74 ALA H H 1 7.728 0.010 . 1 . . . . 74 ALA H . 19223 1 263 . 1 1 74 74 ALA CA C 13 52.310 0.100 . 1 . . . . 74 ALA CA . 19223 1 264 . 1 1 74 74 ALA CB C 13 23.269 0.100 . 1 . . . . 74 ALA CB . 19223 1 265 . 1 1 74 74 ALA N N 15 129.350 0.050 . 1 . . . . 74 ALA N . 19223 1 266 . 1 1 75 75 SER H H 1 8.915 0.010 . 1 . . . . 75 SER H . 19223 1 267 . 1 1 75 75 SER CA C 13 58.066 0.100 . 1 . . . . 75 SER CA . 19223 1 268 . 1 1 75 75 SER CB C 13 67.608 0.100 . 1 . . . . 75 SER CB . 19223 1 269 . 1 1 75 75 SER N N 15 117.074 0.050 . 1 . . . . 75 SER N . 19223 1 270 . 1 1 76 76 LEU H H 1 8.873 0.010 . 1 . . . . 76 LEU H . 19223 1 271 . 1 1 76 76 LEU CA C 13 54.794 0.100 . 1 . . . . 76 LEU CA . 19223 1 272 . 1 1 76 76 LEU CB C 13 42.369 0.100 . 1 . . . . 76 LEU CB . 19223 1 273 . 1 1 76 76 LEU N N 15 127.305 0.050 . 1 . . . . 76 LEU N . 19223 1 274 . 1 1 77 77 ILE H H 1 9.444 0.010 . 1 . . . . 77 ILE H . 19223 1 275 . 1 1 77 77 ILE CA C 13 60.929 0.100 . 1 . . . . 77 ILE CA . 19223 1 276 . 1 1 77 77 ILE CB C 13 37.766 0.100 . 1 . . . . 77 ILE CB . 19223 1 277 . 1 1 77 77 ILE N N 15 128.348 0.050 . 1 . . . . 77 ILE N . 19223 1 278 . 1 1 78 78 LYS CA C 13 55.553 0.100 . 1 . . . . 78 LYS CA . 19223 1 279 . 1 1 78 78 LYS CB C 13 33.577 0.100 . 1 . . . . 78 LYS CB . 19223 1 280 . 1 1 79 79 MET H H 1 8.222 0.010 . 1 . . . . 79 MET H . 19223 1 281 . 1 1 79 79 MET CA C 13 52.573 0.100 . 1 . . . . 79 MET CA . 19223 1 282 . 1 1 79 79 MET CB C 13 30.015 0.100 . 1 . . . . 79 MET CB . 19223 1 283 . 1 1 79 79 MET N N 15 124.202 0.050 . 1 . . . . 79 MET N . 19223 1 284 . 1 1 80 80 GLU H H 1 8.390 0.010 . 1 . . . . 80 GLU H . 19223 1 285 . 1 1 80 80 GLU CA C 13 60.783 0.100 . 1 . . . . 80 GLU CA . 19223 1 286 . 1 1 80 80 GLU CB C 13 29.506 0.100 . 1 . . . . 80 GLU CB . 19223 1 287 . 1 1 80 80 GLU N N 15 126.423 0.050 . 1 . . . . 80 GLU N . 19223 1 288 . 1 1 81 81 GLU H H 1 8.877 0.010 . 1 . . . . 81 GLU H . 19223 1 289 . 1 1 81 81 GLU CA C 13 59.672 0.100 . 1 . . . . 81 GLU CA . 19223 1 290 . 1 1 81 81 GLU CB C 13 29.008 0.100 . 1 . . . . 81 GLU CB . 19223 1 291 . 1 1 81 81 GLU N N 15 121.705 0.050 . 1 . . . . 81 GLU N . 19223 1 292 . 1 1 82 82 ALA H H 1 7.364 0.010 . 1 . . . . 82 ALA H . 19223 1 293 . 1 1 82 82 ALA CA C 13 52.953 0.100 . 1 . . . . 82 ALA CA . 19223 1 294 . 1 1 82 82 ALA CB C 13 19.118 0.100 . 1 . . . . 82 ALA CB . 19223 1 295 . 1 1 82 82 ALA N N 15 117.481 0.050 . 1 . . . . 82 ALA N . 19223 1 296 . 1 1 83 83 GLN H H 1 7.668 0.010 . 1 . . . . 83 GLN H . 19223 1 297 . 1 1 83 83 GLN CA C 13 56.722 0.100 . 1 . . . . 83 GLN CA . 19223 1 298 . 1 1 83 83 GLN CB C 13 26.453 0.100 . 1 . . . . 83 GLN CB . 19223 1 299 . 1 1 83 83 GLN N N 15 112.512 0.050 . 1 . . . . 83 GLN N . 19223 1 300 . 1 1 84 84 ARG H H 1 7.181 0.010 . 1 . . . . 84 ARG H . 19223 1 301 . 1 1 84 84 ARG CA C 13 54.677 0.100 . 1 . . . . 84 ARG CA . 19223 1 302 . 1 1 84 84 ARG CB C 13 35.878 0.100 . 1 . . . . 84 ARG CB . 19223 1 303 . 1 1 84 84 ARG N N 15 118.112 0.050 . 1 . . . . 84 ARG N . 19223 1 304 . 1 1 85 85 SER H H 1 7.710 0.010 . 1 . . . . 85 SER H . 19223 1 305 . 1 1 85 85 SER CA C 13 57.218 0.100 . 1 . . . . 85 SER CA . 19223 1 306 . 1 1 85 85 SER CB C 13 66.547 0.100 . 1 . . . . 85 SER CB . 19223 1 307 . 1 1 85 85 SER N N 15 118.974 0.050 . 1 . . . . 85 SER N . 19223 1 308 . 1 1 86 86 TYR H H 1 8.542 0.010 . 1 . . . . 86 TYR H . 19223 1 309 . 1 1 86 86 TYR CA C 13 55.641 0.100 . 1 . . . . 86 TYR CA . 19223 1 310 . 1 1 86 86 TYR CB C 13 43.734 0.100 . 1 . . . . 86 TYR CB . 19223 1 311 . 1 1 86 86 TYR N N 15 117.104 0.050 . 1 . . . . 86 TYR N . 19223 1 312 . 1 1 87 87 ILE H H 1 9.406 0.010 . 1 . . . . 87 ILE H . 19223 1 313 . 1 1 87 87 ILE CA C 13 61.045 0.100 . 1 . . . . 87 ILE CA . 19223 1 314 . 1 1 87 87 ILE CB C 13 39.125 0.100 . 1 . . . . 87 ILE CB . 19223 1 315 . 1 1 87 87 ILE N N 15 123.155 0.050 . 1 . . . . 87 ILE N . 19223 1 316 . 1 1 88 88 LEU H H 1 8.543 0.010 . 1 . . . . 88 LEU H . 19223 1 317 . 1 1 88 88 LEU CA C 13 54.209 0.100 . 1 . . . . 88 LEU CA . 19223 1 318 . 1 1 88 88 LEU CB C 13 44.037 0.100 . 1 . . . . 88 LEU CB . 19223 1 319 . 1 1 88 88 LEU N N 15 128.945 0.050 . 1 . . . . 88 LEU N . 19223 1 320 . 1 1 89 89 THR H H 1 8.387 0.010 . 1 . . . . 89 THR H . 19223 1 321 . 1 1 89 89 THR CA C 13 58.358 0.100 . 1 . . . . 89 THR CA . 19223 1 322 . 1 1 89 89 THR CB C 13 72.232 0.100 . 1 . . . . 89 THR CB . 19223 1 323 . 1 1 89 89 THR N N 15 115.982 0.050 . 1 . . . . 89 THR N . 19223 1 324 . 1 1 90 90 GLN H H 1 6.424 0.010 . 1 . . . . 90 GLN H . 19223 1 325 . 1 1 90 90 GLN CA C 13 53.158 0.100 . 1 . . . . 90 GLN CA . 19223 1 326 . 1 1 90 90 GLN CB C 13 28.555 0.100 . 1 . . . . 90 GLN CB . 19223 1 327 . 1 1 90 90 GLN N N 15 117.015 0.050 . 1 . . . . 90 GLN N . 19223 1 328 . 1 1 91 91 GLY H H 1 8.802 0.010 . 1 . . . . 91 GLY H . 19223 1 329 . 1 1 91 91 GLY CA C 13 45.504 0.100 . 1 . . . . 91 GLY CA . 19223 1 330 . 1 1 91 91 GLY N N 15 112.916 0.050 . 1 . . . . 91 GLY N . 19223 1 331 . 1 1 92 92 PRO CA C 13 64.405 0.100 . 1 . . . . 92 PRO CA . 19223 1 332 . 1 1 92 92 PRO CB C 13 32.289 0.100 . 1 . . . . 92 PRO CB . 19223 1 333 . 1 1 93 93 LEU H H 1 7.956 0.010 . 1 . . . . 93 LEU H . 19223 1 334 . 1 1 93 93 LEU CA C 13 53.946 0.100 . 1 . . . . 93 LEU CA . 19223 1 335 . 1 1 93 93 LEU CB C 13 42.218 0.100 . 1 . . . . 93 LEU CB . 19223 1 336 . 1 1 93 93 LEU N N 15 124.157 0.050 . 1 . . . . 93 LEU N . 19223 1 337 . 1 1 94 94 PRO CA C 13 66.771 0.100 . 1 . . . . 94 PRO CA . 19223 1 338 . 1 1 94 94 PRO CB C 13 31.422 0.100 . 1 . . . . 94 PRO CB . 19223 1 339 . 1 1 95 95 ASN H H 1 8.573 0.010 . 1 . . . . 95 ASN H . 19223 1 340 . 1 1 95 95 ASN CA C 13 54.443 0.100 . 1 . . . . 95 ASN CA . 19223 1 341 . 1 1 95 95 ASN CB C 13 37.508 0.100 . 1 . . . . 95 ASN CB . 19223 1 342 . 1 1 95 95 ASN N N 15 107.160 0.050 . 1 . . . . 95 ASN N . 19223 1 343 . 1 1 96 96 THR H H 1 8.067 0.010 . 1 . . . . 96 THR H . 19223 1 344 . 1 1 96 96 THR CA C 13 61.250 0.100 . 1 . . . . 96 THR CA . 19223 1 345 . 1 1 96 96 THR CB C 13 69.883 0.100 . 1 . . . . 96 THR CB . 19223 1 346 . 1 1 96 96 THR N N 15 111.949 0.050 . 1 . . . . 96 THR N . 19223 1 347 . 1 1 97 97 CYS H H 1 7.558 0.010 . 1 . . . . 97 CYS H . 19223 1 348 . 1 1 97 97 CYS CA C 13 64.697 0.100 . 1 . . . . 97 CYS CA . 19223 1 349 . 1 1 97 97 CYS CB C 13 28.555 0.100 . 1 . . . . 97 CYS CB . 19223 1 350 . 1 1 97 97 CYS N N 15 121.741 0.050 . 1 . . . . 97 CYS N . 19223 1 351 . 1 1 98 98 GLY H H 1 8.277 0.010 . 1 . . . . 98 GLY H . 19223 1 352 . 1 1 98 98 GLY CA C 13 48.133 0.100 . 1 . . . . 98 GLY CA . 19223 1 353 . 1 1 98 98 GLY N N 15 109.049 0.050 . 1 . . . . 98 GLY N . 19223 1 354 . 1 1 99 99 HIS H H 1 7.413 0.010 . 1 . . . . 99 HIS H . 19223 1 355 . 1 1 99 99 HIS CA C 13 57.540 0.100 . 1 . . . . 99 HIS CA . 19223 1 356 . 1 1 99 99 HIS CB C 13 32.744 0.100 . 1 . . . . 99 HIS CB . 19223 1 357 . 1 1 99 99 HIS N N 15 124.050 0.050 . 1 . . . . 99 HIS N . 19223 1 358 . 1 1 100 100 PHE H H 1 8.183 0.010 . 1 . . . . 100 PHE H . 19223 1 359 . 1 1 100 100 PHE CA C 13 62.535 0.100 . 1 . . . . 100 PHE CA . 19223 1 360 . 1 1 100 100 PHE CB C 13 38.428 0.100 . 1 . . . . 100 PHE CB . 19223 1 361 . 1 1 100 100 PHE N N 15 119.712 0.050 . 1 . . . . 100 PHE N . 19223 1 362 . 1 1 103 103 MET CA C 13 60.198 0.100 . 1 . . . . 103 MET CA . 19223 1 363 . 1 1 104 104 VAL H H 1 7.725 0.010 . 1 . . . . 104 VAL H . 19223 1 364 . 1 1 104 104 VAL CA C 13 63.850 0.100 . 1 . . . . 104 VAL CA . 19223 1 365 . 1 1 104 104 VAL CB C 13 32.219 0.100 . 1 . . . . 104 VAL CB . 19223 1 366 . 1 1 104 104 VAL N N 15 121.580 0.050 . 1 . . . . 104 VAL N . 19223 1 367 . 1 1 105 105 TRP H H 1 8.374 0.010 . 1 . . . . 105 TRP H . 19223 1 368 . 1 1 105 105 TRP CA C 13 55.787 0.100 . 1 . . . . 105 TRP CA . 19223 1 369 . 1 1 105 105 TRP CB C 13 30.034 0.100 . 1 . . . . 105 TRP CB . 19223 1 370 . 1 1 105 105 TRP N N 15 119.682 0.050 . 1 . . . . 105 TRP N . 19223 1 371 . 1 1 109 109 SER CA C 13 61.863 0.100 . 1 . . . . 109 SER CA . 19223 1 372 . 1 1 109 109 SER CB C 13 63.317 0.100 . 1 . . . . 109 SER CB . 19223 1 373 . 1 1 110 110 ARG H H 1 9.216 0.010 . 1 . . . . 110 ARG H . 19223 1 374 . 1 1 110 110 ARG CA C 13 55.582 0.100 . 1 . . . . 110 ARG CA . 19223 1 375 . 1 1 110 110 ARG CB C 13 32.213 0.100 . 1 . . . . 110 ARG CB . 19223 1 376 . 1 1 110 110 ARG N N 15 124.033 0.050 . 1 . . . . 110 ARG N . 19223 1 377 . 1 1 111 111 GLY H H 1 7.246 0.010 . 1 . . . . 111 GLY H . 19223 1 378 . 1 1 111 111 GLY CA C 13 44.352 0.100 . 1 . . . . 111 GLY CA . 19223 1 379 . 1 1 111 111 GLY N N 15 102.530 0.050 . 1 . . . . 111 GLY N . 19223 1 380 . 1 1 112 112 VAL H H 1 8.804 0.010 . 1 . . . . 112 VAL H . 19223 1 381 . 1 1 112 112 VAL CA C 13 61.033 0.100 . 1 . . . . 112 VAL CA . 19223 1 382 . 1 1 112 112 VAL CB C 13 35.721 0.100 . 1 . . . . 112 VAL CB . 19223 1 383 . 1 1 112 112 VAL N N 15 121.046 0.050 . 1 . . . . 112 VAL N . 19223 1 384 . 1 1 114 114 MET CA C 13 54.677 0.100 . 1 . . . . 114 MET CA . 19223 1 385 . 1 1 114 114 MET CB C 13 34.315 0.100 . 1 . . . . 114 MET CB . 19223 1 386 . 1 1 115 115 LEU H H 1 7.863 0.010 . 1 . . . . 115 LEU H . 19223 1 387 . 1 1 115 115 LEU CA C 13 54.648 0.100 . 1 . . . . 115 LEU CA . 19223 1 388 . 1 1 115 115 LEU CB C 13 43.051 0.100 . 1 . . . . 115 LEU CB . 19223 1 389 . 1 1 115 115 LEU N N 15 124.967 0.050 . 1 . . . . 115 LEU N . 19223 1 390 . 1 1 116 116 ASN H H 1 7.439 0.010 . 1 . . . . 116 ASN H . 19223 1 391 . 1 1 116 116 ASN CA C 13 52.340 0.100 . 1 . . . . 116 ASN CA . 19223 1 392 . 1 1 116 116 ASN CB C 13 42.046 0.100 . 1 . . . . 116 ASN CB . 19223 1 393 . 1 1 116 116 ASN N N 15 114.913 0.050 . 1 . . . . 116 ASN N . 19223 1 394 . 1 1 117 117 ARG H H 1 9.243 0.010 . 1 . . . . 117 ARG H . 19223 1 395 . 1 1 117 117 ARG CA C 13 56.483 0.100 . 1 . . . . 117 ARG CA . 19223 1 396 . 1 1 117 117 ARG CB C 13 31.906 0.100 . 1 . . . . 117 ARG CB . 19223 1 397 . 1 1 117 117 ARG N N 15 120.071 0.050 . 1 . . . . 117 ARG N . 19223 1 398 . 1 1 118 118 VAL H H 1 8.883 0.010 . 1 . . . . 118 VAL H . 19223 1 399 . 1 1 118 118 VAL CA C 13 67.385 0.100 . 1 . . . . 118 VAL CA . 19223 1 400 . 1 1 118 118 VAL CB C 13 32.028 0.100 . 1 . . . . 118 VAL CB . 19223 1 401 . 1 1 118 118 VAL N N 15 121.691 0.050 . 1 . . . . 118 VAL N . 19223 1 402 . 1 1 121 121 LYS CA C 13 57.158 0.100 . 1 . . . . 121 LYS CA . 19223 1 403 . 1 1 121 121 LYS CB C 13 30.982 0.100 . 1 . . . . 121 LYS CB . 19223 1 404 . 1 1 122 122 GLY H H 1 8.542 0.010 . 1 . . . . 122 GLY H . 19223 1 405 . 1 1 122 122 GLY CA C 13 46.292 0.100 . 1 . . . . 122 GLY CA . 19223 1 406 . 1 1 122 122 GLY N N 15 106.127 0.050 . 1 . . . . 122 GLY N . 19223 1 407 . 1 1 123 123 SER H H 1 7.892 0.010 . 1 . . . . 123 SER H . 19223 1 408 . 1 1 123 123 SER CA C 13 57.832 0.100 . 1 . . . . 123 SER CA . 19223 1 409 . 1 1 123 123 SER CB C 13 65.334 0.100 . 1 . . . . 123 SER CB . 19223 1 410 . 1 1 123 123 SER N N 15 116.504 0.050 . 1 . . . . 123 SER N . 19223 1 411 . 1 1 124 124 LEU H H 1 8.516 0.010 . 1 . . . . 124 LEU H . 19223 1 412 . 1 1 124 124 LEU CA C 13 56.137 0.100 . 1 . . . . 124 LEU CA . 19223 1 413 . 1 1 124 124 LEU CB C 13 41.914 0.100 . 1 . . . . 124 LEU CB . 19223 1 414 . 1 1 124 124 LEU N N 15 126.376 0.050 . 1 . . . . 124 LEU N . 19223 1 415 . 1 1 126 126 CYS CA C 13 58.884 0.100 . 1 . . . . 126 CYS CA . 19223 1 416 . 1 1 126 126 CYS CB C 13 29.560 0.100 . 1 . . . . 126 CYS CB . 19223 1 417 . 1 1 127 127 ALA H H 1 7.765 0.010 . 1 . . . . 127 ALA H . 19223 1 418 . 1 1 127 127 ALA CA C 13 52.164 0.100 . 1 . . . . 127 ALA CA . 19223 1 419 . 1 1 127 127 ALA CB C 13 19.101 0.100 . 1 . . . . 127 ALA CB . 19223 1 420 . 1 1 127 127 ALA N N 15 124.780 0.050 . 1 . . . . 127 ALA N . 19223 1 421 . 1 1 128 128 GLN H H 1 8.470 0.010 . 1 . . . . 128 GLN H . 19223 1 422 . 1 1 128 128 GLN CA C 13 56.021 0.100 . 1 . . . . 128 GLN CA . 19223 1 423 . 1 1 128 128 GLN CB C 13 26.529 0.100 . 1 . . . . 128 GLN CB . 19223 1 424 . 1 1 128 128 GLN N N 15 121.201 0.050 . 1 . . . . 128 GLN N . 19223 1 425 . 1 1 129 129 TYR H H 1 6.610 0.010 . 1 . . . . 129 TYR H . 19223 1 426 . 1 1 129 129 TYR CA C 13 57.014 0.100 . 1 . . . . 129 TYR CA . 19223 1 427 . 1 1 129 129 TYR CB C 13 38.219 0.100 . 1 . . . . 129 TYR CB . 19223 1 428 . 1 1 129 129 TYR N N 15 123.010 0.050 . 1 . . . . 129 TYR N . 19223 1 429 . 1 1 130 130 TRP H H 1 6.594 0.010 . 1 . . . . 130 TRP H . 19223 1 430 . 1 1 130 130 TRP CA C 13 55.962 0.100 . 1 . . . . 130 TRP CA . 19223 1 431 . 1 1 130 130 TRP CB C 13 30.896 0.100 . 1 . . . . 130 TRP CB . 19223 1 432 . 1 1 130 130 TRP N N 15 121.331 0.050 . 1 . . . . 130 TRP N . 19223 1 433 . 1 1 137 137 GLU CA C 13 54.764 0.100 . 1 . . . . 137 GLU CA . 19223 1 434 . 1 1 137 137 GLU CB C 13 33.463 0.100 . 1 . . . . 137 GLU CB . 19223 1 435 . 1 1 138 138 MET H H 1 8.853 0.010 . 1 . . . . 138 MET H . 19223 1 436 . 1 1 138 138 MET CA C 13 55.728 0.100 . 1 . . . . 138 MET CA . 19223 1 437 . 1 1 138 138 MET CB C 13 38.580 0.100 . 1 . . . . 138 MET CB . 19223 1 438 . 1 1 138 138 MET N N 15 121.576 0.050 . 1 . . . . 138 MET N . 19223 1 439 . 1 1 139 139 ILE H H 1 8.142 0.010 . 1 . . . . 139 ILE H . 19223 1 440 . 1 1 139 139 ILE CA C 13 60.490 0.100 . 1 . . . . 139 ILE CA . 19223 1 441 . 1 1 139 139 ILE CB C 13 40.106 0.100 . 1 . . . . 139 ILE CB . 19223 1 442 . 1 1 139 139 ILE N N 15 122.430 0.050 . 1 . . . . 139 ILE N . 19223 1 443 . 1 1 140 140 PHE H H 1 8.894 0.010 . 1 . . . . 140 PHE H . 19223 1 444 . 1 1 140 140 PHE CA C 13 57.072 0.100 . 1 . . . . 140 PHE CA . 19223 1 445 . 1 1 140 140 PHE CB C 13 37.973 0.100 . 1 . . . . 140 PHE CB . 19223 1 446 . 1 1 140 140 PHE N N 15 128.195 0.050 . 1 . . . . 140 PHE N . 19223 1 447 . 1 1 141 141 GLU H H 1 8.964 0.010 . 1 . . . . 141 GLU H . 19223 1 448 . 1 1 141 141 GLU CA C 13 59.585 0.100 . 1 . . . . 141 GLU CA . 19223 1 449 . 1 1 141 141 GLU CB C 13 29.939 0.100 . 1 . . . . 141 GLU CB . 19223 1 450 . 1 1 141 141 GLU N N 15 124.526 0.050 . 1 . . . . 141 GLU N . 19223 1 451 . 1 1 142 142 ASP H H 1 9.068 0.010 . 1 . . . . 142 ASP H . 19223 1 452 . 1 1 142 142 ASP CA C 13 56.313 0.100 . 1 . . . . 142 ASP CA . 19223 1 453 . 1 1 142 142 ASP CB C 13 38.883 0.100 . 1 . . . . 142 ASP CB . 19223 1 454 . 1 1 142 142 ASP N N 15 116.750 0.050 . 1 . . . . 142 ASP N . 19223 1 455 . 1 1 143 143 THR H H 1 7.454 0.010 . 1 . . . . 143 THR H . 19223 1 456 . 1 1 143 143 THR CA C 13 60.987 0.100 . 1 . . . . 143 THR CA . 19223 1 457 . 1 1 143 143 THR CB C 13 69.226 0.100 . 1 . . . . 143 THR CB . 19223 1 458 . 1 1 143 143 THR N N 15 108.441 0.050 . 1 . . . . 143 THR N . 19223 1 459 . 1 1 144 144 ASN H H 1 7.952 0.010 . 1 . . . . 144 ASN H . 19223 1 460 . 1 1 144 144 ASN CA C 13 54.355 0.100 . 1 . . . . 144 ASN CA . 19223 1 461 . 1 1 144 144 ASN CB C 13 38.201 0.100 . 1 . . . . 144 ASN CB . 19223 1 462 . 1 1 144 144 ASN N N 15 121.213 0.050 . 1 . . . . 144 ASN N . 19223 1 463 . 1 1 145 145 LEU H H 1 7.421 0.010 . 1 . . . . 145 LEU H . 19223 1 464 . 1 1 145 145 LEU CA C 13 54.122 0.100 . 1 . . . . 145 LEU CA . 19223 1 465 . 1 1 145 145 LEU CB C 13 46.448 0.100 . 1 . . . . 145 LEU CB . 19223 1 466 . 1 1 145 145 LEU N N 15 117.435 0.050 . 1 . . . . 145 LEU N . 19223 1 467 . 1 1 146 146 LYS CA C 13 54.798 0.100 . 1 . . . . 146 LYS CA . 19223 1 468 . 1 1 146 146 LYS CB C 13 36.875 0.100 . 1 . . . . 146 LYS CB . 19223 1 469 . 1 1 147 147 LEU H H 1 9.133 0.010 . 1 . . . . 147 LEU H . 19223 1 470 . 1 1 147 147 LEU CA C 13 53.132 0.100 . 1 . . . . 147 LEU CA . 19223 1 471 . 1 1 147 147 LEU CB C 13 48.340 0.100 . 1 . . . . 147 LEU CB . 19223 1 472 . 1 1 147 147 LEU N N 15 129.972 0.050 . 1 . . . . 147 LEU N . 19223 1 473 . 1 1 148 148 THR CA C 13 61.951 0.100 . 1 . . . . 148 THR CA . 19223 1 474 . 1 1 148 148 THR CB C 13 71.701 0.100 . 1 . . . . 148 THR CB . 19223 1 475 . 1 1 149 149 LEU H H 1 8.958 0.010 . 1 . . . . 149 LEU H . 19223 1 476 . 1 1 149 149 LEU CA C 13 55.845 0.100 . 1 . . . . 149 LEU CA . 19223 1 477 . 1 1 149 149 LEU CB C 13 42.824 0.100 . 1 . . . . 149 LEU CB . 19223 1 478 . 1 1 149 149 LEU N N 15 128.307 0.050 . 1 . . . . 149 LEU N . 19223 1 479 . 1 1 150 150 ILE H H 1 8.852 0.010 . 1 . . . . 150 ILE H . 19223 1 480 . 1 1 150 150 ILE CA C 13 61.746 0.100 . 1 . . . . 150 ILE CA . 19223 1 481 . 1 1 150 150 ILE CB C 13 36.994 0.100 . 1 . . . . 150 ILE CB . 19223 1 482 . 1 1 150 150 ILE N N 15 130.063 0.050 . 1 . . . . 150 ILE N . 19223 1 483 . 1 1 151 151 SER H H 1 7.785 0.010 . 1 . . . . 151 SER H . 19223 1 484 . 1 1 151 151 SER CA C 13 58.270 0.100 . 1 . . . . 151 SER CA . 19223 1 485 . 1 1 151 151 SER CB C 13 65.789 0.100 . 1 . . . . 151 SER CB . 19223 1 486 . 1 1 151 151 SER N N 15 111.437 0.050 . 1 . . . . 151 SER N . 19223 1 487 . 1 1 152 152 GLU H H 1 8.611 0.010 . 1 . . . . 152 GLU H . 19223 1 488 . 1 1 152 152 GLU CA C 13 56.488 0.100 . 1 . . . . 152 GLU CA . 19223 1 489 . 1 1 152 152 GLU CB C 13 34.411 0.100 . 1 . . . . 152 GLU CB . 19223 1 490 . 1 1 152 152 GLU N N 15 120.880 0.050 . 1 . . . . 152 GLU N . 19223 1 491 . 1 1 153 153 ASP H H 1 8.826 0.010 . 1 . . . . 153 ASP H . 19223 1 492 . 1 1 153 153 ASP CA C 13 53.654 0.100 . 1 . . . . 153 ASP CA . 19223 1 493 . 1 1 153 153 ASP CB C 13 42.366 0.100 . 1 . . . . 153 ASP CB . 19223 1 494 . 1 1 153 153 ASP N N 15 127.266 0.050 . 1 . . . . 153 ASP N . 19223 1 495 . 1 1 154 154 ILE H H 1 8.501 0.010 . 1 . . . . 154 ILE H . 19223 1 496 . 1 1 154 154 ILE CA C 13 62.769 0.100 . 1 . . . . 154 ILE CA . 19223 1 497 . 1 1 154 154 ILE CB C 13 38.655 0.100 . 1 . . . . 154 ILE CB . 19223 1 498 . 1 1 154 154 ILE N N 15 127.319 0.050 . 1 . . . . 154 ILE N . 19223 1 499 . 1 1 155 155 LYS H H 1 8.139 0.010 . 1 . . . . 155 LYS H . 19223 1 500 . 1 1 155 155 LYS CA C 13 54.414 0.100 . 1 . . . . 155 LYS CA . 19223 1 501 . 1 1 155 155 LYS CB C 13 33.123 0.100 . 1 . . . . 155 LYS CB . 19223 1 502 . 1 1 155 155 LYS N N 15 129.117 0.050 . 1 . . . . 155 LYS N . 19223 1 503 . 1 1 157 157 TYR H H 1 7.097 0.010 . 1 . . . . 157 TYR H . 19223 1 504 . 1 1 157 157 TYR CA C 13 56.120 0.100 . 1 . . . . 157 TYR CA . 19223 1 505 . 1 1 157 157 TYR CB C 13 39.110 0.100 . 1 . . . . 157 TYR CB . 19223 1 506 . 1 1 157 157 TYR N N 15 113.002 0.050 . 1 . . . . 157 TYR N . 19223 1 507 . 1 1 158 158 TYR H H 1 6.568 0.010 . 1 . . . . 158 TYR H . 19223 1 508 . 1 1 158 158 TYR CA C 13 56.488 0.100 . 1 . . . . 158 TYR CA . 19223 1 509 . 1 1 158 158 TYR CB C 13 41.157 0.100 . 1 . . . . 158 TYR CB . 19223 1 510 . 1 1 158 158 TYR N N 15 114.120 0.050 . 1 . . . . 158 TYR N . 19223 1 511 . 1 1 159 159 THR H H 1 9.405 0.010 . 1 . . . . 159 THR H . 19223 1 512 . 1 1 159 159 THR CA C 13 61.601 0.100 . 1 . . . . 159 THR CA . 19223 1 513 . 1 1 159 159 THR CB C 13 73.838 0.100 . 1 . . . . 159 THR CB . 19223 1 514 . 1 1 159 159 THR N N 15 117.789 0.050 . 1 . . . . 159 THR N . 19223 1 515 . 1 1 160 160 VAL H H 1 8.710 0.010 . 1 . . . . 160 VAL H . 19223 1 516 . 1 1 160 160 VAL CA C 13 60.490 0.100 . 1 . . . . 160 VAL CA . 19223 1 517 . 1 1 160 160 VAL CB C 13 34.335 0.100 . 1 . . . . 160 VAL CB . 19223 1 518 . 1 1 160 160 VAL N N 15 126.509 0.050 . 1 . . . . 160 VAL N . 19223 1 519 . 1 1 166 166 GLU CA C 13 53.985 0.100 . 1 . . . . 166 GLU CA . 19223 1 520 . 1 1 166 166 GLU CB C 13 33.426 0.100 . 1 . . . . 166 GLU CB . 19223 1 521 . 1 1 167 167 ASN H H 1 8.196 0.010 . 1 . . . . 167 ASN H . 19223 1 522 . 1 1 167 167 ASN CA C 13 52.475 0.100 . 1 . . . . 167 ASN CA . 19223 1 523 . 1 1 167 167 ASN CB C 13 38.201 0.100 . 1 . . . . 167 ASN CB . 19223 1 524 . 1 1 167 167 ASN N N 15 124.705 0.050 . 1 . . . . 167 ASN N . 19223 1 525 . 1 1 168 168 LEU H H 1 8.263 0.010 . 1 . . . . 168 LEU H . 19223 1 526 . 1 1 168 168 LEU CA C 13 57.423 0.100 . 1 . . . . 168 LEU CA . 19223 1 527 . 1 1 168 168 LEU CB C 13 40.929 0.100 . 1 . . . . 168 LEU CB . 19223 1 528 . 1 1 168 168 LEU N N 15 126.177 0.050 . 1 . . . . 168 LEU N . 19223 1 529 . 1 1 169 169 THR H H 1 8.220 0.010 . 1 . . . . 169 THR H . 19223 1 530 . 1 1 169 169 THR CA C 13 65.807 0.100 . 1 . . . . 169 THR CA . 19223 1 531 . 1 1 169 169 THR CB C 13 68.972 0.100 . 1 . . . . 169 THR CB . 19223 1 532 . 1 1 169 169 THR N N 15 115.269 0.050 . 1 . . . . 169 THR N . 19223 1 533 . 1 1 170 170 THR H H 1 7.032 0.010 . 1 . . . . 170 THR H . 19223 1 534 . 1 1 170 170 THR CA C 13 62.272 0.100 . 1 . . . . 170 THR CA . 19223 1 535 . 1 1 170 170 THR CB C 13 70.687 0.100 . 1 . . . . 170 THR CB . 19223 1 536 . 1 1 170 170 THR N N 15 109.635 0.050 . 1 . . . . 170 THR N . 19223 1 537 . 1 1 171 171 GLN H H 1 8.366 0.010 . 1 . . . . 171 GLN H . 19223 1 538 . 1 1 171 171 GLN CA C 13 58.504 0.100 . 1 . . . . 171 GLN CA . 19223 1 539 . 1 1 171 171 GLN CB C 13 26.301 0.100 . 1 . . . . 171 GLN CB . 19223 1 540 . 1 1 171 171 GLN N N 15 116.917 0.050 . 1 . . . . 171 GLN N . 19223 1 541 . 1 1 172 172 GLU H H 1 7.441 0.010 . 1 . . . . 172 GLU H . 19223 1 542 . 1 1 172 172 GLU CA C 13 56.780 0.100 . 1 . . . . 172 GLU CA . 19223 1 543 . 1 1 172 172 GLU CB C 13 33.463 0.100 . 1 . . . . 172 GLU CB . 19223 1 544 . 1 1 172 172 GLU N N 15 119.817 0.050 . 1 . . . . 172 GLU N . 19223 1 545 . 1 1 173 173 THR H H 1 8.436 0.010 . 1 . . . . 173 THR H . 19223 1 546 . 1 1 173 173 THR CA C 13 60.753 0.100 . 1 . . . . 173 THR CA . 19223 1 547 . 1 1 173 173 THR CB C 13 72.459 0.100 . 1 . . . . 173 THR CB . 19223 1 548 . 1 1 173 173 THR N N 15 113.762 0.050 . 1 . . . . 173 THR N . 19223 1 549 . 1 1 175 175 GLU CA C 13 57.335 0.100 . 1 . . . . 175 GLU CA . 19223 1 550 . 1 1 176 176 ILE H H 1 8.579 0.010 . 1 . . . . 176 ILE H . 19223 1 551 . 1 1 176 176 ILE CA C 13 62.126 0.100 . 1 . . . . 176 ILE CA . 19223 1 552 . 1 1 176 176 ILE CB C 13 39.970 0.100 . 1 . . . . 176 ILE CB . 19223 1 553 . 1 1 176 176 ILE N N 15 114.849 0.050 . 1 . . . . 176 ILE N . 19223 1 554 . 1 1 177 177 LEU H H 1 8.623 0.010 . 1 . . . . 177 LEU H . 19223 1 555 . 1 1 177 177 LEU CA C 13 57.461 0.100 . 1 . . . . 177 LEU CA . 19223 1 556 . 1 1 177 177 LEU CB C 13 41.675 0.100 . 1 . . . . 177 LEU CB . 19223 1 557 . 1 1 177 177 LEU N N 15 119.734 0.050 . 1 . . . . 177 LEU N . 19223 1 558 . 1 1 178 178 HIS H H 1 8.117 0.010 . 1 . . . . 178 HIS H . 19223 1 559 . 1 1 178 178 HIS CA C 13 57.847 0.100 . 1 . . . . 178 HIS CA . 19223 1 560 . 1 1 178 178 HIS CB C 13 38.883 0.100 . 1 . . . . 178 HIS CB . 19223 1 561 . 1 1 178 178 HIS N N 15 117.803 0.050 . 1 . . . . 178 HIS N . 19223 1 562 . 1 1 181 181 TYR CA C 13 56.021 0.100 . 1 . . . . 181 TYR CA . 19223 1 563 . 1 1 181 181 TYR CB C 13 42.266 0.100 . 1 . . . . 181 TYR CB . 19223 1 564 . 1 1 182 182 THR H H 1 8.105 0.010 . 1 . . . . 182 THR H . 19223 1 565 . 1 1 182 182 THR CA C 13 58.971 0.100 . 1 . . . . 182 THR CA . 19223 1 566 . 1 1 182 182 THR CB C 13 64.219 0.100 . 1 . . . . 182 THR CB . 19223 1 567 . 1 1 182 182 THR N N 15 116.120 0.050 . 1 . . . . 182 THR N . 19223 1 568 . 1 1 183 183 THR H H 1 8.314 0.010 . 1 . . . . 183 THR H . 19223 1 569 . 1 1 183 183 THR CA C 13 59.283 0.100 . 1 . . . . 183 THR CA . 19223 1 570 . 1 1 183 183 THR CB C 13 63.807 0.100 . 1 . . . . 183 THR CB . 19223 1 571 . 1 1 183 183 THR N N 15 118.423 0.050 . 1 . . . . 183 THR N . 19223 1 572 . 1 1 184 184 TRP H H 1 7.008 0.010 . 1 . . . . 184 TRP H . 19223 1 573 . 1 1 184 184 TRP CA C 13 60.899 0.100 . 1 . . . . 184 TRP CA . 19223 1 574 . 1 1 184 184 TRP CB C 13 29.386 0.100 . 1 . . . . 184 TRP CB . 19223 1 575 . 1 1 184 184 TRP N N 15 121.813 0.050 . 1 . . . . 184 TRP N . 19223 1 576 . 1 1 185 185 PRO CA C 13 56.926 0.100 . 1 . . . . 185 PRO CA . 19223 1 577 . 1 1 185 185 PRO CB C 13 29.863 0.100 . 1 . . . . 185 PRO CB . 19223 1 578 . 1 1 186 186 ASP H H 1 8.287 0.010 . 1 . . . . 186 ASP H . 19223 1 579 . 1 1 186 186 ASP CA C 13 57.511 0.100 . 1 . . . . 186 ASP CA . 19223 1 580 . 1 1 186 186 ASP CB C 13 41.460 0.100 . 1 . . . . 186 ASP CB . 19223 1 581 . 1 1 186 186 ASP N N 15 121.736 0.050 . 1 . . . . 186 ASP N . 19223 1 582 . 1 1 187 187 PHE H H 1 7.584 0.010 . 1 . . . . 187 PHE H . 19223 1 583 . 1 1 187 187 PHE CA C 13 57.126 0.100 . 1 . . . . 187 PHE CA . 19223 1 584 . 1 1 187 187 PHE CB C 13 41.370 0.100 . 1 . . . . 187 PHE CB . 19223 1 585 . 1 1 187 187 PHE N N 15 114.960 0.050 . 1 . . . . 187 PHE N . 19223 1 586 . 1 1 188 188 GLY H H 1 8.319 0.010 . 1 . . . . 188 GLY H . 19223 1 587 . 1 1 188 188 GLY CA C 13 45.562 0.100 . 1 . . . . 188 GLY CA . 19223 1 588 . 1 1 188 188 GLY N N 15 110.244 0.050 . 1 . . . . 188 GLY N . 19223 1 589 . 1 1 189 189 VAL H H 1 8.019 0.010 . 1 . . . . 189 VAL H . 19223 1 590 . 1 1 189 189 VAL CA C 13 58.124 0.100 . 1 . . . . 189 VAL CA . 19223 1 591 . 1 1 189 189 VAL CB C 13 31.152 0.100 . 1 . . . . 189 VAL CB . 19223 1 592 . 1 1 189 189 VAL N N 15 114.280 0.050 . 1 . . . . 189 VAL N . 19223 1 593 . 1 1 193 193 PRO CA C 13 56.305 0.100 . 1 . . . . 193 PRO CA . 19223 1 594 . 1 1 193 193 PRO CB C 13 33.047 0.100 . 1 . . . . 193 PRO CB . 19223 1 595 . 1 1 194 194 ALA H H 1 8.514 0.010 . 1 . . . . 194 ALA H . 19223 1 596 . 1 1 194 194 ALA CA C 13 53.567 0.100 . 1 . . . . 194 ALA CA . 19223 1 597 . 1 1 194 194 ALA CB C 13 19.404 0.100 . 1 . . . . 194 ALA CB . 19223 1 598 . 1 1 194 194 ALA N N 15 125.767 0.050 . 1 . . . . 194 ALA N . 19223 1 599 . 1 1 195 195 SER H H 1 8.166 0.010 . 1 . . . . 195 SER H . 19223 1 600 . 1 1 195 195 SER CA C 13 59.208 0.100 . 1 . . . . 195 SER CA . 19223 1 601 . 1 1 195 195 SER CB C 13 64.198 0.100 . 1 . . . . 195 SER CB . 19223 1 602 . 1 1 195 195 SER N N 15 114.467 0.050 . 1 . . . . 195 SER N . 19223 1 603 . 1 1 196 196 PHE H H 1 8.464 0.010 . 1 . . . . 196 PHE H . 19223 1 604 . 1 1 196 196 PHE CA C 13 57.218 0.100 . 1 . . . . 196 PHE CA . 19223 1 605 . 1 1 196 196 PHE CB C 13 33.931 0.100 . 1 . . . . 196 PHE CB . 19223 1 606 . 1 1 196 196 PHE N N 15 122.982 0.050 . 1 . . . . 196 PHE N . 19223 1 607 . 1 1 199 199 PHE CA C 13 55.115 0.100 . 1 . . . . 199 PHE CA . 19223 1 608 . 1 1 199 199 PHE CB C 13 41.524 0.100 . 1 . . . . 199 PHE CB . 19223 1 609 . 1 1 200 200 LEU H H 1 8.036 0.010 . 1 . . . . 200 LEU H . 19223 1 610 . 1 1 200 200 LEU CA C 13 55.495 0.100 . 1 . . . . 200 LEU CA . 19223 1 611 . 1 1 200 200 LEU CB C 13 42.296 0.100 . 1 . . . . 200 LEU CB . 19223 1 612 . 1 1 200 200 LEU N N 15 122.569 0.050 . 1 . . . . 200 LEU N . 19223 1 613 . 1 1 201 201 PHE H H 1 8.122 0.010 . 1 . . . . 201 PHE H . 19223 1 614 . 1 1 201 201 PHE CA C 13 54.764 0.100 . 1 . . . . 201 PHE CA . 19223 1 615 . 1 1 201 201 PHE CB C 13 30.065 0.100 . 1 . . . . 201 PHE CB . 19223 1 616 . 1 1 201 201 PHE N N 15 122.920 0.050 . 1 . . . . 201 PHE N . 19223 1 617 . 1 1 203 203 VAL CA C 13 66.771 0.100 . 1 . . . . 203 VAL CA . 19223 1 618 . 1 1 204 204 ARG H H 1 8.393 0.010 . 1 . . . . 204 ARG H . 19223 1 619 . 1 1 204 204 ARG CA C 13 60.549 0.100 . 1 . . . . 204 ARG CA . 19223 1 620 . 1 1 204 204 ARG CB C 13 30.853 0.100 . 1 . . . . 204 ARG CB . 19223 1 621 . 1 1 204 204 ARG N N 15 120.995 0.050 . 1 . . . . 204 ARG N . 19223 1 622 . 1 1 205 205 GLU H H 1 8.453 0.010 . 1 . . . . 205 GLU H . 19223 1 623 . 1 1 205 205 GLU CA C 13 59.147 0.100 . 1 . . . . 205 GLU CA . 19223 1 624 . 1 1 205 205 GLU CB C 13 30.091 0.100 . 1 . . . . 205 GLU CB . 19223 1 625 . 1 1 205 205 GLU N N 15 121.064 0.050 . 1 . . . . 205 GLU N . 19223 1 626 . 1 1 206 206 SER H H 1 7.386 0.010 . 1 . . . . 206 SER H . 19223 1 627 . 1 1 206 206 SER CA C 13 60.761 0.100 . 1 . . . . 206 SER CA . 19223 1 628 . 1 1 206 206 SER CB C 13 66.484 0.100 . 1 . . . . 206 SER CB . 19223 1 629 . 1 1 206 206 SER N N 15 112.571 0.050 . 1 . . . . 206 SER N . 19223 1 630 . 1 1 207 207 GLY H H 1 7.649 0.010 . 1 . . . . 207 GLY H . 19223 1 631 . 1 1 207 207 GLY CA C 13 46.555 0.100 . 1 . . . . 207 GLY CA . 19223 1 632 . 1 1 207 207 GLY N N 15 110.474 0.050 . 1 . . . . 207 GLY N . 19223 1 633 . 1 1 208 208 SER H H 1 7.828 0.010 . 1 . . . . 208 SER H . 19223 1 634 . 1 1 208 208 SER CA C 13 63.587 0.100 . 1 . . . . 208 SER CA . 19223 1 635 . 1 1 208 208 SER CB C 13 64.425 0.100 . 1 . . . . 208 SER CB . 19223 1 636 . 1 1 208 208 SER N N 15 114.375 0.050 . 1 . . . . 208 SER N . 19223 1 637 . 1 1 209 209 LEU H H 1 8.232 0.010 . 1 . . . . 209 LEU H . 19223 1 638 . 1 1 209 209 LEU CA C 13 54.589 0.100 . 1 . . . . 209 LEU CA . 19223 1 639 . 1 1 209 209 LEU CB C 13 40.550 0.100 . 1 . . . . 209 LEU CB . 19223 1 640 . 1 1 209 209 LEU N N 15 116.588 0.050 . 1 . . . . 209 LEU N . 19223 1 641 . 1 1 210 210 SER H H 1 7.344 0.010 . 1 . . . . 210 SER H . 19223 1 642 . 1 1 210 210 SER CA C 13 57.452 0.100 . 1 . . . . 210 SER CA . 19223 1 643 . 1 1 210 210 SER CB C 13 64.038 0.100 . 1 . . . . 210 SER CB . 19223 1 644 . 1 1 210 210 SER N N 15 116.482 0.050 . 1 . . . . 210 SER N . 19223 1 645 . 1 1 211 211 PRO CA C 13 64.960 0.100 . 1 . . . . 211 PRO CA . 19223 1 646 . 1 1 211 211 PRO CB C 13 31.762 0.100 . 1 . . . . 211 PRO CB . 19223 1 647 . 1 1 212 212 GLU H H 1 8.138 0.010 . 1 . . . . 212 GLU H . 19223 1 648 . 1 1 212 212 GLU CA C 13 58.036 0.100 . 1 . . . . 212 GLU CA . 19223 1 649 . 1 1 212 212 GLU CB C 13 29.081 0.100 . 1 . . . . 212 GLU CB . 19223 1 650 . 1 1 212 212 GLU N N 15 118.013 0.050 . 1 . . . . 212 GLU N . 19223 1 651 . 1 1 213 213 HIS H H 1 7.457 0.010 . 1 . . . . 213 HIS H . 19223 1 652 . 1 1 213 213 HIS CA C 13 54.648 0.100 . 1 . . . . 213 HIS CA . 19223 1 653 . 1 1 213 213 HIS CB C 13 33.916 0.100 . 1 . . . . 213 HIS CB . 19223 1 654 . 1 1 213 213 HIS N N 15 119.192 0.050 . 1 . . . . 213 HIS N . 19223 1 655 . 1 1 214 214 GLY H H 1 7.270 0.010 . 1 . . . . 214 GLY H . 19223 1 656 . 1 1 214 214 GLY CA C 13 44.919 0.100 . 1 . . . . 214 GLY CA . 19223 1 657 . 1 1 214 214 GLY N N 15 104.869 0.050 . 1 . . . . 214 GLY N . 19223 1 658 . 1 1 215 215 PRO CA C 13 63.120 0.100 . 1 . . . . 215 PRO CA . 19223 1 659 . 1 1 215 215 PRO CB C 13 31.545 0.100 . 1 . . . . 215 PRO CB . 19223 1 660 . 1 1 216 216 VAL H H 1 8.980 0.010 . 1 . . . . 216 VAL H . 19223 1 661 . 1 1 216 216 VAL CA C 13 62.068 0.100 . 1 . . . . 216 VAL CA . 19223 1 662 . 1 1 216 216 VAL CB C 13 31.682 0.100 . 1 . . . . 216 VAL CB . 19223 1 663 . 1 1 216 216 VAL N N 15 126.090 0.050 . 1 . . . . 216 VAL N . 19223 1 664 . 1 1 217 217 VAL H H 1 7.679 0.010 . 1 . . . . 217 VAL H . 19223 1 665 . 1 1 217 217 VAL CA C 13 62.075 0.100 . 1 . . . . 217 VAL CA . 19223 1 666 . 1 1 217 217 VAL CB C 13 32.744 0.100 . 1 . . . . 217 VAL CB . 19223 1 667 . 1 1 217 217 VAL N N 15 126.806 0.050 . 1 . . . . 217 VAL N . 19223 1 668 . 1 1 218 218 VAL H H 1 9.594 0.010 . 1 . . . . 218 VAL H . 19223 1 669 . 1 1 218 218 VAL CA C 13 60.702 0.100 . 1 . . . . 218 VAL CA . 19223 1 670 . 1 1 218 218 VAL CB C 13 34.136 0.100 . 1 . . . . 218 VAL CB . 19223 1 671 . 1 1 218 218 VAL N N 15 129.389 0.050 . 1 . . . . 218 VAL N . 19223 1 672 . 1 1 219 219 HIS H H 1 9.167 0.010 . 1 . . . . 219 HIS H . 19223 1 673 . 1 1 219 219 HIS CA C 13 55.949 0.100 . 1 . . . . 219 HIS CA . 19223 1 674 . 1 1 219 219 HIS CB C 13 35.078 0.100 . 1 . . . . 219 HIS CB . 19223 1 675 . 1 1 219 219 HIS N N 15 122.000 0.050 . 1 . . . . 219 HIS N . 19223 1 676 . 1 1 220 220 CYS H H 1 6.027 0.010 . 1 . . . . 220 CYS H . 19223 1 677 . 1 1 220 220 CYS CA C 13 57.277 0.100 . 1 . . . . 220 CYS CA . 19223 1 678 . 1 1 220 220 CYS CB C 13 29.159 0.100 . 1 . . . . 220 CYS CB . 19223 1 679 . 1 1 220 220 CYS N N 15 120.430 0.050 . 1 . . . . 220 CYS N . 19223 1 680 . 1 1 222 222 ALA CA C 13 52.310 0.100 . 1 . . . . 222 ALA CA . 19223 1 681 . 1 1 222 222 ALA CB C 13 20.834 0.100 . 1 . . . . 222 ALA CB . 19223 1 682 . 1 1 223 223 GLY H H 1 8.774 0.010 . 1 . . . . 223 GLY H . 19223 1 683 . 1 1 223 223 GLY CA C 13 48.133 0.100 . 1 . . . . 223 GLY CA . 19223 1 684 . 1 1 223 223 GLY N N 15 112.170 0.050 . 1 . . . . 223 GLY N . 19223 1 685 . 1 1 224 224 ILE H H 1 7.256 0.010 . 1 . . . . 224 ILE H . 19223 1 686 . 1 1 224 224 ILE CA C 13 62.068 0.100 . 1 . . . . 224 ILE CA . 19223 1 687 . 1 1 224 224 ILE CB C 13 40.588 0.100 . 1 . . . . 224 ILE CB . 19223 1 688 . 1 1 224 224 ILE N N 15 108.175 0.050 . 1 . . . . 224 ILE N . 19223 1 689 . 1 1 226 226 ARG CA C 13 59.117 0.100 . 1 . . . . 226 ARG CA . 19223 1 690 . 1 1 226 226 ARG CB C 13 38.655 0.100 . 1 . . . . 226 ARG CB . 19223 1 691 . 1 1 227 227 SER H H 1 7.485 0.010 . 1 . . . . 227 SER H . 19223 1 692 . 1 1 227 227 SER CA C 13 63.624 0.100 . 1 . . . . 227 SER CA . 19223 1 693 . 1 1 227 227 SER CB C 13 69.205 0.100 . 1 . . . . 227 SER CB . 19223 1 694 . 1 1 227 227 SER N N 15 115.930 0.050 . 1 . . . . 227 SER N . 19223 1 695 . 1 1 228 228 GLY H H 1 6.361 0.010 . 1 . . . . 228 GLY H . 19223 1 696 . 1 1 228 228 GLY CA C 13 47.782 0.100 . 1 . . . . 228 GLY CA . 19223 1 697 . 1 1 228 228 GLY N N 15 106.642 0.050 . 1 . . . . 228 GLY N . 19223 1 698 . 1 1 229 229 THR H H 1 7.733 0.010 . 1 . . . . 229 THR H . 19223 1 699 . 1 1 229 229 THR CA C 13 67.531 0.100 . 1 . . . . 229 THR CA . 19223 1 700 . 1 1 229 229 THR CB C 13 68.982 0.100 . 1 . . . . 229 THR CB . 19223 1 701 . 1 1 229 229 THR N N 15 117.692 0.050 . 1 . . . . 229 THR N . 19223 1 702 . 1 1 230 230 PHE H H 1 7.542 0.010 . 1 . . . . 230 PHE H . 19223 1 703 . 1 1 230 230 PHE CA C 13 63.065 0.100 . 1 . . . . 230 PHE CA . 19223 1 704 . 1 1 230 230 PHE CB C 13 40.415 0.100 . 1 . . . . 230 PHE CB . 19223 1 705 . 1 1 230 230 PHE N N 15 120.488 0.050 . 1 . . . . 230 PHE N . 19223 1 706 . 1 1 231 231 CYS H H 1 7.390 0.010 . 1 . . . . 231 CYS H . 19223 1 707 . 1 1 231 231 CYS CA C 13 62.886 0.100 . 1 . . . . 231 CYS CA . 19223 1 708 . 1 1 231 231 CYS CB C 13 27.059 0.100 . 1 . . . . 231 CYS CB . 19223 1 709 . 1 1 231 231 CYS N N 15 115.676 0.050 . 1 . . . . 231 CYS N . 19223 1 710 . 1 1 232 232 LEU H H 1 8.513 0.010 . 1 . . . . 232 LEU H . 19223 1 711 . 1 1 232 232 LEU CA C 13 58.854 0.100 . 1 . . . . 232 LEU CA . 19223 1 712 . 1 1 232 232 LEU CB C 13 42.900 0.100 . 1 . . . . 232 LEU CB . 19223 1 713 . 1 1 232 232 LEU N N 15 121.931 0.050 . 1 . . . . 232 LEU N . 19223 1 714 . 1 1 233 233 ALA H H 1 8.077 0.010 . 1 . . . . 233 ALA H . 19223 1 715 . 1 1 233 233 ALA CA C 13 55.710 0.100 . 1 . . . . 233 ALA CA . 19223 1 716 . 1 1 233 233 ALA CB C 13 16.909 0.100 . 1 . . . . 233 ALA CB . 19223 1 717 . 1 1 233 233 ALA N N 15 119.991 0.050 . 1 . . . . 233 ALA N . 19223 1 718 . 1 1 234 234 ASP H H 1 7.506 0.010 . 1 . . . . 234 ASP H . 19223 1 719 . 1 1 234 234 ASP CA C 13 58.914 0.100 . 1 . . . . 234 ASP CA . 19223 1 720 . 1 1 234 234 ASP CB C 13 41.763 0.100 . 1 . . . . 234 ASP CB . 19223 1 721 . 1 1 234 234 ASP N N 15 114.277 0.050 . 1 . . . . 234 ASP N . 19223 1 722 . 1 1 235 235 THR H H 1 8.508 0.010 . 1 . . . . 235 THR H . 19223 1 723 . 1 1 235 235 THR CA C 13 69.518 0.100 . 1 . . . . 235 THR CA . 19223 1 724 . 1 1 235 235 THR CB C 13 68.366 0.100 . 1 . . . . 235 THR CB . 19223 1 725 . 1 1 235 235 THR N N 15 114.792 0.050 . 1 . . . . 235 THR N . 19223 1 726 . 1 1 236 236 CYS H H 1 8.344 0.010 . 1 . . . . 236 CYS H . 19223 1 727 . 1 1 236 236 CYS CA C 13 66.548 0.100 . 1 . . . . 236 CYS CA . 19223 1 728 . 1 1 236 236 CYS CB C 13 28.120 0.100 . 1 . . . . 236 CYS CB . 19223 1 729 . 1 1 236 236 CYS N N 15 118.108 0.050 . 1 . . . . 236 CYS N . 19223 1 730 . 1 1 237 237 LEU H H 1 7.884 0.010 . 1 . . . . 237 LEU H . 19223 1 731 . 1 1 237 237 LEU CA C 13 58.638 0.100 . 1 . . . . 237 LEU CA . 19223 1 732 . 1 1 237 237 LEU CB C 13 41.379 0.100 . 1 . . . . 237 LEU CB . 19223 1 733 . 1 1 237 237 LEU N N 15 117.685 0.050 . 1 . . . . 237 LEU N . 19223 1 734 . 1 1 238 238 LEU H H 1 8.176 0.010 . 1 . . . . 238 LEU H . 19223 1 735 . 1 1 238 238 LEU CA C 13 58.974 0.100 . 1 . . . . 238 LEU CA . 19223 1 736 . 1 1 238 238 LEU CB C 13 41.447 0.100 . 1 . . . . 238 LEU CB . 19223 1 737 . 1 1 238 238 LEU N N 15 119.379 0.050 . 1 . . . . 238 LEU N . 19223 1 738 . 1 1 239 239 LEU H H 1 7.853 0.010 . 1 . . . . 239 LEU H . 19223 1 739 . 1 1 239 239 LEU CA C 13 58.440 0.100 . 1 . . . . 239 LEU CA . 19223 1 740 . 1 1 239 239 LEU CB C 13 42.416 0.100 . 1 . . . . 239 LEU CB . 19223 1 741 . 1 1 239 239 LEU N N 15 122.428 0.050 . 1 . . . . 239 LEU N . 19223 1 742 . 1 1 240 240 MET H H 1 7.880 0.010 . 1 . . . . 240 MET H . 19223 1 743 . 1 1 240 240 MET CA C 13 60.140 0.100 . 1 . . . . 240 MET CA . 19223 1 744 . 1 1 240 240 MET CB C 13 33.166 0.100 . 1 . . . . 240 MET CB . 19223 1 745 . 1 1 240 240 MET N N 15 117.527 0.050 . 1 . . . . 240 MET N . 19223 1 746 . 1 1 241 241 ASP H H 1 7.161 0.010 . 1 . . . . 241 ASP H . 19223 1 747 . 1 1 241 241 ASP CA C 13 56.576 0.100 . 1 . . . . 241 ASP CA . 19223 1 748 . 1 1 241 241 ASP CB C 13 42.900 0.100 . 1 . . . . 241 ASP CB . 19223 1 749 . 1 1 241 241 ASP N N 15 117.100 0.050 . 1 . . . . 241 ASP N . 19223 1 750 . 1 1 242 242 LYS H H 1 7.977 0.010 . 1 . . . . 242 LYS H . 19223 1 751 . 1 1 242 242 LYS CA C 13 58.504 0.100 . 1 . . . . 242 LYS CA . 19223 1 752 . 1 1 242 242 LYS CB C 13 33.488 0.100 . 1 . . . . 242 LYS CB . 19223 1 753 . 1 1 242 242 LYS N N 15 118.019 0.050 . 1 . . . . 242 LYS N . 19223 1 754 . 1 1 243 243 ARG H H 1 7.968 0.010 . 1 . . . . 243 ARG H . 19223 1 755 . 1 1 243 243 ARG CA C 13 57.248 0.100 . 1 . . . . 243 ARG CA . 19223 1 756 . 1 1 243 243 ARG CB C 13 31.304 0.100 . 1 . . . . 243 ARG CB . 19223 1 757 . 1 1 243 243 ARG N N 15 117.320 0.050 . 1 . . . . 243 ARG N . 19223 1 758 . 1 1 244 244 LYS H H 1 7.974 0.010 . 1 . . . . 244 LYS H . 19223 1 759 . 1 1 244 244 LYS CA C 13 57.773 0.100 . 1 . . . . 244 LYS CA . 19223 1 760 . 1 1 244 244 LYS CB C 13 31.012 0.100 . 1 . . . . 244 LYS CB . 19223 1 761 . 1 1 244 244 LYS N N 15 118.747 0.050 . 1 . . . . 244 LYS N . 19223 1 762 . 1 1 246 246 PRO CA C 13 65.457 0.100 . 1 . . . . 246 PRO CA . 19223 1 763 . 1 1 246 246 PRO CB C 13 32.440 0.100 . 1 . . . . 246 PRO CB . 19223 1 764 . 1 1 247 247 SER H H 1 8.088 0.010 . 1 . . . . 247 SER H . 19223 1 765 . 1 1 247 247 SER CA C 13 60.870 0.100 . 1 . . . . 247 SER CA . 19223 1 766 . 1 1 247 247 SER CB C 13 63.743 0.100 . 1 . . . . 247 SER CB . 19223 1 767 . 1 1 247 247 SER N N 15 113.235 0.050 . 1 . . . . 247 SER N . 19223 1 768 . 1 1 248 248 SER H H 1 7.646 0.010 . 1 . . . . 248 SER H . 19223 1 769 . 1 1 248 248 SER CA C 13 59.672 0.100 . 1 . . . . 248 SER CA . 19223 1 770 . 1 1 248 248 SER CB C 13 64.880 0.100 . 1 . . . . 248 SER CB . 19223 1 771 . 1 1 248 248 SER N N 15 115.510 0.050 . 1 . . . . 248 SER N . 19223 1 772 . 1 1 249 249 VAL H H 1 7.190 0.010 . 1 . . . . 249 VAL H . 19223 1 773 . 1 1 249 249 VAL CA C 13 63.938 0.100 . 1 . . . . 249 VAL CA . 19223 1 774 . 1 1 249 249 VAL CB C 13 31.953 0.100 . 1 . . . . 249 VAL CB . 19223 1 775 . 1 1 249 249 VAL N N 15 123.826 0.050 . 1 . . . . 249 VAL N . 19223 1 776 . 1 1 250 250 ASP H H 1 8.405 0.010 . 1 . . . . 250 ASP H . 19223 1 777 . 1 1 250 250 ASP CA C 13 52.340 0.100 . 1 . . . . 250 ASP CA . 19223 1 778 . 1 1 250 250 ASP CB C 13 42.369 0.100 . 1 . . . . 250 ASP CB . 19223 1 779 . 1 1 250 250 ASP N N 15 129.656 0.050 . 1 . . . . 250 ASP N . 19223 1 780 . 1 1 251 251 ILE H H 1 8.424 0.010 . 1 . . . . 251 ILE H . 19223 1 781 . 1 1 251 251 ILE CA C 13 65.953 0.100 . 1 . . . . 251 ILE CA . 19223 1 782 . 1 1 251 251 ILE CB C 13 38.125 0.100 . 1 . . . . 251 ILE CB . 19223 1 783 . 1 1 251 251 ILE N N 15 126.680 0.050 . 1 . . . . 251 ILE N . 19223 1 784 . 1 1 252 252 LYS H H 1 7.831 0.010 . 1 . . . . 252 LYS H . 19223 1 785 . 1 1 252 252 LYS CA C 13 60.929 0.100 . 1 . . . . 252 LYS CA . 19223 1 786 . 1 1 252 252 LYS CB C 13 30.980 0.100 . 1 . . . . 252 LYS CB . 19223 1 787 . 1 1 252 252 LYS N N 15 118.373 0.050 . 1 . . . . 252 LYS N . 19223 1 788 . 1 1 253 253 LYS H H 1 7.126 0.010 . 1 . . . . 253 LYS H . 19223 1 789 . 1 1 253 253 LYS CA C 13 59.818 0.100 . 1 . . . . 253 LYS CA . 19223 1 790 . 1 1 253 253 LYS CB C 13 32.632 0.100 . 1 . . . . 253 LYS CB . 19223 1 791 . 1 1 253 253 LYS N N 15 117.769 0.050 . 1 . . . . 253 LYS N . 19223 1 792 . 1 1 254 254 VAL H H 1 8.058 0.010 . 1 . . . . 254 VAL H . 19223 1 793 . 1 1 254 254 VAL CA C 13 67.064 0.100 . 1 . . . . 254 VAL CA . 19223 1 794 . 1 1 254 254 VAL N N 15 121.951 0.050 . 1 . . . . 254 VAL N . 19223 1 795 . 1 1 255 255 LEU H H 1 8.371 0.010 . 1 . . . . 255 LEU H . 19223 1 796 . 1 1 255 255 LEU CA C 13 58.736 0.100 . 1 . . . . 255 LEU CA . 19223 1 797 . 1 1 255 255 LEU CB C 13 40.926 0.100 . 1 . . . . 255 LEU CB . 19223 1 798 . 1 1 255 255 LEU N N 15 121.225 0.050 . 1 . . . . 255 LEU N . 19223 1 799 . 1 1 257 257 GLU CA C 13 60.111 0.100 . 1 . . . . 257 GLU CA . 19223 1 800 . 1 1 257 257 GLU CB C 13 29.118 0.100 . 1 . . . . 257 GLU CB . 19223 1 801 . 1 1 258 258 MET H H 1 8.577 0.010 . 1 . . . . 258 MET H . 19223 1 802 . 1 1 258 258 MET CA C 13 61.513 0.100 . 1 . . . . 258 MET CA . 19223 1 803 . 1 1 258 258 MET CB C 13 33.798 0.100 . 1 . . . . 258 MET CB . 19223 1 804 . 1 1 258 258 MET N N 15 119.485 0.050 . 1 . . . . 258 MET N . 19223 1 805 . 1 1 259 259 ARG H H 1 8.542 0.010 . 1 . . . . 259 ARG H . 19223 1 806 . 1 1 259 259 ARG CA C 13 58.591 0.100 . 1 . . . . 259 ARG CA . 19223 1 807 . 1 1 259 259 ARG CB C 13 30.621 0.100 . 1 . . . . 259 ARG CB . 19223 1 808 . 1 1 259 259 ARG N N 15 118.088 0.050 . 1 . . . . 259 ARG N . 19223 1 809 . 1 1 260 260 LYS H H 1 7.617 0.010 . 1 . . . . 260 LYS H . 19223 1 810 . 1 1 260 260 LYS CA C 13 59.497 0.100 . 1 . . . . 260 LYS CA . 19223 1 811 . 1 1 260 260 LYS CB C 13 31.834 0.100 . 1 . . . . 260 LYS CB . 19223 1 812 . 1 1 260 260 LYS N N 15 119.382 0.050 . 1 . . . . 260 LYS N . 19223 1 813 . 1 1 261 261 PHE H H 1 8.149 0.010 . 1 . . . . 261 PHE H . 19223 1 814 . 1 1 261 261 PHE CA C 13 59.935 0.100 . 1 . . . . 261 PHE CA . 19223 1 815 . 1 1 261 261 PHE CB C 13 41.692 0.100 . 1 . . . . 261 PHE CB . 19223 1 816 . 1 1 261 261 PHE N N 15 113.010 0.050 . 1 . . . . 261 PHE N . 19223 1 817 . 1 1 262 262 ARG H H 1 7.458 0.010 . 1 . . . . 262 ARG H . 19223 1 818 . 1 1 262 262 ARG CA C 13 57.218 0.100 . 1 . . . . 262 ARG CA . 19223 1 819 . 1 1 262 262 ARG CB C 13 32.557 0.100 . 1 . . . . 262 ARG CB . 19223 1 820 . 1 1 262 262 ARG N N 15 121.037 0.050 . 1 . . . . 262 ARG N . 19223 1 821 . 1 1 263 263 MET H H 1 8.362 0.010 . 1 . . . . 263 MET H . 19223 1 822 . 1 1 263 263 MET CA C 13 55.816 0.100 . 1 . . . . 263 MET CA . 19223 1 823 . 1 1 263 263 MET CB C 13 32.592 0.100 . 1 . . . . 263 MET CB . 19223 1 824 . 1 1 263 263 MET N N 15 122.733 0.050 . 1 . . . . 263 MET N . 19223 1 825 . 1 1 264 264 GLY H H 1 8.778 0.010 . 1 . . . . 264 GLY H . 19223 1 826 . 1 1 264 264 GLY CA C 13 46.954 0.100 . 1 . . . . 264 GLY CA . 19223 1 827 . 1 1 264 264 GLY N N 15 102.142 0.050 . 1 . . . . 264 GLY N . 19223 1 828 . 1 1 265 265 LEU H H 1 6.358 0.010 . 1 . . . . 265 LEU H . 19223 1 829 . 1 1 265 265 LEU CA C 13 56.275 0.100 . 1 . . . . 265 LEU CA . 19223 1 830 . 1 1 265 265 LEU CB C 13 41.675 0.100 . 1 . . . . 265 LEU CB . 19223 1 831 . 1 1 265 265 LEU N N 15 115.378 0.050 . 1 . . . . 265 LEU N . 19223 1 832 . 1 1 266 266 ILE H H 1 8.332 0.010 . 1 . . . . 266 ILE H . 19223 1 833 . 1 1 266 266 ILE CA C 13 65.200 0.100 . 1 . . . . 266 ILE CA . 19223 1 834 . 1 1 266 266 ILE CB C 13 32.074 0.100 . 1 . . . . 266 ILE CB . 19223 1 835 . 1 1 266 266 ILE N N 15 115.953 0.050 . 1 . . . . 266 ILE N . 19223 1 836 . 1 1 267 267 GLN H H 1 8.731 0.010 . 1 . . . . 267 GLN H . 19223 1 837 . 1 1 267 267 GLN CA C 13 58.036 0.100 . 1 . . . . 267 GLN CA . 19223 1 838 . 1 1 267 267 GLN CB C 13 33.183 0.100 . 1 . . . . 267 GLN CB . 19223 1 839 . 1 1 267 267 GLN N N 15 126.391 0.050 . 1 . . . . 267 GLN N . 19223 1 840 . 1 1 268 268 THR H H 1 6.661 0.010 . 1 . . . . 268 THR H . 19223 1 841 . 1 1 268 268 THR CA C 13 58.416 0.100 . 1 . . . . 268 THR CA . 19223 1 842 . 1 1 268 268 THR CB C 13 73.754 0.100 . 1 . . . . 268 THR CB . 19223 1 843 . 1 1 268 268 THR N N 15 105.483 0.050 . 1 . . . . 268 THR N . 19223 1 844 . 1 1 269 269 ALA H H 1 8.599 0.010 . 1 . . . . 269 ALA H . 19223 1 845 . 1 1 269 269 ALA CA C 13 54.998 0.100 . 1 . . . . 269 ALA CA . 19223 1 846 . 1 1 269 269 ALA CB C 13 17.737 0.100 . 1 . . . . 269 ALA CB . 19223 1 847 . 1 1 269 269 ALA N N 15 123.837 0.050 . 1 . . . . 269 ALA N . 19223 1 848 . 1 1 270 270 ASP H H 1 7.833 0.010 . 1 . . . . 270 ASP H . 19223 1 849 . 1 1 270 270 ASP CA C 13 57.364 0.100 . 1 . . . . 270 ASP CA . 19223 1 850 . 1 1 270 270 ASP CB C 13 40.247 0.100 . 1 . . . . 270 ASP CB . 19223 1 851 . 1 1 270 270 ASP N N 15 116.564 0.050 . 1 . . . . 270 ASP N . 19223 1 852 . 1 1 271 271 GLN H H 1 7.792 0.010 . 1 . . . . 271 GLN H . 19223 1 853 . 1 1 271 271 GLN CA C 13 59.585 0.100 . 1 . . . . 271 GLN CA . 19223 1 854 . 1 1 271 271 GLN CB C 13 28.651 0.100 . 1 . . . . 271 GLN CB . 19223 1 855 . 1 1 271 271 GLN N N 15 120.174 0.050 . 1 . . . . 271 GLN N . 19223 1 856 . 1 1 272 272 LEU H H 1 7.536 0.010 . 1 . . . . 272 LEU H . 19223 1 857 . 1 1 272 272 LEU CA C 13 58.971 0.100 . 1 . . . . 272 LEU CA . 19223 1 858 . 1 1 272 272 LEU CB C 13 41.384 0.100 . 1 . . . . 272 LEU CB . 19223 1 859 . 1 1 272 272 LEU N N 15 124.415 0.050 . 1 . . . . 272 LEU N . 19223 1 860 . 1 1 273 273 ARG H H 1 7.879 0.010 . 1 . . . . 273 ARG H . 19223 1 861 . 1 1 273 273 ARG CA C 13 60.227 0.100 . 1 . . . . 273 ARG CA . 19223 1 862 . 1 1 273 273 ARG CB C 13 29.030 0.100 . 1 . . . . 273 ARG CB . 19223 1 863 . 1 1 273 273 ARG N N 15 121.626 0.050 . 1 . . . . 273 ARG N . 19223 1 864 . 1 1 274 274 PHE H H 1 8.188 0.010 . 1 . . . . 274 PHE H . 19223 1 865 . 1 1 274 274 PHE CA C 13 62.272 0.100 . 1 . . . . 274 PHE CA . 19223 1 866 . 1 1 274 274 PHE CB C 13 39.868 0.100 . 1 . . . . 274 PHE CB . 19223 1 867 . 1 1 274 274 PHE N N 15 117.977 0.050 . 1 . . . . 274 PHE N . 19223 1 868 . 1 1 275 275 SER H H 1 7.940 0.010 . 1 . . . . 275 SER H . 19223 1 869 . 1 1 275 275 SER CA C 13 64.463 0.100 . 1 . . . . 275 SER CA . 19223 1 870 . 1 1 275 275 SER CB C 13 63.440 0.100 . 1 . . . . 275 SER CB . 19223 1 871 . 1 1 275 275 SER N N 15 115.885 0.050 . 1 . . . . 275 SER N . 19223 1 872 . 1 1 276 276 TYR CA C 13 58.351 0.100 . 1 . . . . 276 TYR CA . 19223 1 873 . 1 1 276 276 TYR CB C 13 41.778 0.100 . 1 . . . . 276 TYR CB . 19223 1 874 . 1 1 277 277 LEU H H 1 8.382 0.010 . 1 . . . . 277 LEU H . 19223 1 875 . 1 1 277 277 LEU CA C 13 58.409 0.100 . 1 . . . . 277 LEU CA . 19223 1 876 . 1 1 277 277 LEU CB C 13 42.183 0.100 . 1 . . . . 277 LEU CB . 19223 1 877 . 1 1 277 277 LEU N N 15 119.178 0.050 . 1 . . . . 277 LEU N . 19223 1 878 . 1 1 278 278 ALA H H 1 8.493 0.010 . 1 . . . . 278 ALA H . 19223 1 879 . 1 1 278 278 ALA CA C 13 55.232 0.100 . 1 . . . . 278 ALA CA . 19223 1 880 . 1 1 278 278 ALA CB C 13 16.827 0.100 . 1 . . . . 278 ALA CB . 19223 1 881 . 1 1 278 278 ALA N N 15 119.839 0.050 . 1 . . . . 278 ALA N . 19223 1 882 . 1 1 279 279 VAL H H 1 7.769 0.010 . 1 . . . . 279 VAL H . 19223 1 883 . 1 1 279 279 VAL CA C 13 67.473 0.100 . 1 . . . . 279 VAL CA . 19223 1 884 . 1 1 279 279 VAL CB C 13 31.223 0.100 . 1 . . . . 279 VAL CB . 19223 1 885 . 1 1 279 279 VAL N N 15 118.708 0.050 . 1 . . . . 279 VAL N . 19223 1 886 . 1 1 280 280 ILE H H 1 8.443 0.010 . 1 . . . . 280 ILE H . 19223 1 887 . 1 1 280 280 ILE CA C 13 66.645 0.100 . 1 . . . . 280 ILE CA . 19223 1 888 . 1 1 280 280 ILE CB C 13 38.553 0.100 . 1 . . . . 280 ILE CB . 19223 1 889 . 1 1 280 280 ILE N N 15 120.243 0.050 . 1 . . . . 280 ILE N . 19223 1 890 . 1 1 281 281 GLU CA C 13 59.380 0.100 . 1 . . . . 281 GLU CA . 19223 1 891 . 1 1 281 281 GLU CB C 13 28.722 0.100 . 1 . . . . 281 GLU CB . 19223 1 892 . 1 1 282 282 GLY H H 1 8.677 0.010 . 1 . . . . 282 GLY H . 19223 1 893 . 1 1 282 282 GLY CA C 13 48.308 0.100 . 1 . . . . 282 GLY CA . 19223 1 894 . 1 1 282 282 GLY N N 15 109.948 0.050 . 1 . . . . 282 GLY N . 19223 1 895 . 1 1 283 283 ALA H H 1 8.543 0.010 . 1 . . . . 283 ALA H . 19223 1 896 . 1 1 283 283 ALA CA C 13 55.407 0.100 . 1 . . . . 283 ALA CA . 19223 1 897 . 1 1 283 283 ALA CB C 13 18.722 0.100 . 1 . . . . 283 ALA CB . 19223 1 898 . 1 1 283 283 ALA N N 15 125.420 0.050 . 1 . . . . 283 ALA N . 19223 1 899 . 1 1 284 284 LYS H H 1 7.484 0.010 . 1 . . . . 284 LYS H . 19223 1 900 . 1 1 284 284 LYS CA C 13 59.818 0.100 . 1 . . . . 284 LYS CA . 19223 1 901 . 1 1 284 284 LYS CB C 13 32.406 0.100 . 1 . . . . 284 LYS CB . 19223 1 902 . 1 1 284 284 LYS N N 15 116.521 0.050 . 1 . . . . 284 LYS N . 19223 1 903 . 1 1 285 285 PHE H H 1 7.607 0.010 . 1 . . . . 285 PHE H . 19223 1 904 . 1 1 285 285 PHE CA C 13 60.549 0.100 . 1 . . . . 285 PHE CA . 19223 1 905 . 1 1 285 285 PHE CB C 13 39.489 0.100 . 1 . . . . 285 PHE CB . 19223 1 906 . 1 1 285 285 PHE N N 15 118.373 0.050 . 1 . . . . 285 PHE N . 19223 1 907 . 1 1 286 286 ILE H H 1 7.896 0.010 . 1 . . . . 286 ILE H . 19223 1 908 . 1 1 286 286 ILE CA C 13 63.587 0.100 . 1 . . . . 286 ILE CA . 19223 1 909 . 1 1 286 286 ILE CB C 13 38.322 0.100 . 1 . . . . 286 ILE CB . 19223 1 910 . 1 1 286 286 ILE N N 15 118.688 0.050 . 1 . . . . 286 ILE N . 19223 1 911 . 1 1 287 287 MET H H 1 8.071 0.010 . 1 . . . . 287 MET H . 19223 1 912 . 1 1 287 287 MET CA C 13 56.371 0.100 . 1 . . . . 287 MET CA . 19223 1 913 . 1 1 287 287 MET CB C 13 32.440 0.100 . 1 . . . . 287 MET CB . 19223 1 914 . 1 1 287 287 MET N N 15 118.609 0.050 . 1 . . . . 287 MET N . 19223 1 915 . 1 1 288 288 GLY H H 1 7.579 0.010 . 1 . . . . 288 GLY H . 19223 1 916 . 1 1 288 288 GLY CA C 13 46.000 0.100 . 1 . . . . 288 GLY CA . 19223 1 917 . 1 1 288 288 GLY N N 15 108.309 0.050 . 1 . . . . 288 GLY N . 19223 1 918 . 1 1 289 289 ASP H H 1 8.036 0.010 . 1 . . . . 289 ASP H . 19223 1 919 . 1 1 289 289 ASP CA C 13 54.618 0.100 . 1 . . . . 289 ASP CA . 19223 1 920 . 1 1 289 289 ASP CB C 13 41.763 0.100 . 1 . . . . 289 ASP CB . 19223 1 921 . 1 1 289 289 ASP N N 15 121.052 0.050 . 1 . . . . 289 ASP N . 19223 1 922 . 1 1 290 290 SER H H 1 8.301 0.010 . 1 . . . . 290 SER H . 19223 1 923 . 1 1 290 290 SER CA C 13 60.052 0.100 . 1 . . . . 290 SER CA . 19223 1 924 . 1 1 290 290 SER CB C 13 63.847 0.100 . 1 . . . . 290 SER CB . 19223 1 925 . 1 1 290 290 SER N N 15 118.629 0.050 . 1 . . . . 290 SER N . 19223 1 926 . 1 1 291 291 SER H H 1 8.388 0.010 . 1 . . . . 291 SER H . 19223 1 927 . 1 1 291 291 SER CA C 13 60.198 0.100 . 1 . . . . 291 SER CA . 19223 1 928 . 1 1 291 291 SER CB C 13 63.959 0.100 . 1 . . . . 291 SER CB . 19223 1 929 . 1 1 291 291 SER N N 15 118.796 0.050 . 1 . . . . 291 SER N . 19223 1 930 . 1 1 292 292 VAL H H 1 7.756 0.010 . 1 . . . . 292 VAL H . 19223 1 931 . 1 1 292 292 VAL CA C 13 66.804 0.100 . 1 . . . . 292 VAL CA . 19223 1 932 . 1 1 292 292 VAL CB C 13 30.408 0.100 . 1 . . . . 292 VAL CB . 19223 1 933 . 1 1 292 292 VAL N N 15 121.603 0.050 . 1 . . . . 292 VAL N . 19223 1 934 . 1 1 295 295 GLN CA C 13 59.804 0.100 . 1 . . . . 295 GLN CA . 19223 1 935 . 1 1 296 296 TRP H H 1 8.026 0.010 . 1 . . . . 296 TRP H . 19223 1 936 . 1 1 296 296 TRP CA C 13 58.321 0.100 . 1 . . . . 296 TRP CA . 19223 1 937 . 1 1 296 296 TRP CB C 13 29.158 0.100 . 1 . . . . 296 TRP CB . 19223 1 938 . 1 1 296 296 TRP N N 15 121.202 0.050 . 1 . . . . 296 TRP N . 19223 1 939 . 1 1 297 297 LYS H H 1 7.703 0.010 . 1 . . . . 297 LYS H . 19223 1 940 . 1 1 297 297 LYS CA C 13 57.817 0.100 . 1 . . . . 297 LYS CA . 19223 1 941 . 1 1 297 297 LYS CB C 13 32.895 0.100 . 1 . . . . 297 LYS CB . 19223 1 942 . 1 1 297 297 LYS N N 15 122.246 0.050 . 1 . . . . 297 LYS N . 19223 1 943 . 1 1 298 298 GLU H H 1 8.033 0.010 . 1 . . . . 298 GLU H . 19223 1 944 . 1 1 298 298 GLU CA C 13 57.773 0.100 . 1 . . . . 298 GLU CA . 19223 1 945 . 1 1 298 298 GLU CB C 13 29.712 0.100 . 1 . . . . 298 GLU CB . 19223 1 946 . 1 1 298 298 GLU N N 15 121.201 0.050 . 1 . . . . 298 GLU N . 19223 1 947 . 1 1 299 299 LEU H H 1 8.063 0.010 . 1 . . . . 299 LEU H . 19223 1 948 . 1 1 299 299 LEU CA C 13 55.957 0.100 . 1 . . . . 299 LEU CA . 19223 1 949 . 1 1 299 299 LEU N N 15 122.384 0.050 . 1 . . . . 299 LEU N . 19223 1 950 . 1 1 300 300 SER CA C 13 61.316 0.100 . 1 . . . . 300 SER CA . 19223 1 951 . 1 1 301 301 HIS H H 1 7.959 0.010 . 1 . . . . 301 HIS H . 19223 1 952 . 1 1 301 301 HIS CA C 13 58.499 0.100 . 1 . . . . 301 HIS CA . 19223 1 953 . 1 1 301 301 HIS CB C 13 30.482 0.100 . 1 . . . . 301 HIS CB . 19223 1 954 . 1 1 301 301 HIS N N 15 123.415 0.050 . 1 . . . . 301 HIS N . 19223 1 955 . 1 1 302 302 GLU H H 1 7.939 0.010 . 1 . . . . 302 GLU H . 19223 1 956 . 1 1 302 302 GLU CA C 13 57.452 0.100 . 1 . . . . 302 GLU CA . 19223 1 957 . 1 1 302 302 GLU CB C 13 30.334 0.100 . 1 . . . . 302 GLU CB . 19223 1 958 . 1 1 302 302 GLU N N 15 118.491 0.050 . 1 . . . . 302 GLU N . 19223 1 959 . 1 1 303 303 ASP H H 1 8.306 0.010 . 1 . . . . 303 ASP H . 19223 1 960 . 1 1 303 303 ASP CA C 13 55.057 0.100 . 1 . . . . 303 ASP CA . 19223 1 961 . 1 1 303 303 ASP CB C 13 41.384 0.100 . 1 . . . . 303 ASP CB . 19223 1 962 . 1 1 303 303 ASP N N 15 121.270 0.050 . 1 . . . . 303 ASP N . 19223 1 963 . 1 1 304 304 LEU H H 1 7.956 0.010 . 1 . . . . 304 LEU H . 19223 1 964 . 1 1 304 304 LEU CA C 13 55.524 0.100 . 1 . . . . 304 LEU CA . 19223 1 965 . 1 1 304 304 LEU CB C 13 42.521 0.100 . 1 . . . . 304 LEU CB . 19223 1 966 . 1 1 304 304 LEU N N 15 122.860 0.050 . 1 . . . . 304 LEU N . 19223 1 967 . 1 1 305 305 GLU H H 1 7.939 0.010 . 1 . . . . 305 GLU H . 19223 1 968 . 1 1 305 305 GLU CA C 13 54.443 0.100 . 1 . . . . 305 GLU CA . 19223 1 969 . 1 1 305 305 GLU CB C 13 30.697 0.100 . 1 . . . . 305 GLU CB . 19223 1 970 . 1 1 305 305 GLU N N 15 120.819 0.050 . 1 . . . . 305 GLU N . 19223 1 971 . 1 1 307 307 HIS CA C 13 55.203 0.100 . 1 . . . . 307 HIS CA . 19223 1 972 . 1 1 307 307 HIS CB C 13 33.292 0.100 . 1 . . . . 307 HIS CB . 19223 1 973 . 1 1 308 308 ASN H H 1 8.736 0.010 . 1 . . . . 308 ASN H . 19223 1 974 . 1 1 308 308 ASN CA C 13 54.531 0.100 . 1 . . . . 308 ASN CA . 19223 1 975 . 1 1 308 308 ASN CB C 13 40.635 0.100 . 1 . . . . 308 ASN CB . 19223 1 976 . 1 1 308 308 ASN N N 15 123.452 0.050 . 1 . . . . 308 ASN N . 19223 1 stop_ save_