data_5474 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5474 _Entry.Title ; Backbone resonance assignment of the 298 amino acid catalytic domain of protein tyrosine phosphatase 1B (PTP1B) ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-07-24 _Entry.Accession_date 2002-07-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sebastian Meier . . . 5474 2 Yu-Chin Li . . . 5474 3 James Koehn . . . 5474 4 Isidoros Vlattas . . . 5474 5 James Wareing . . . 5474 6 Wolfgang Jahnke . . . 5474 7 Lawrence Wennogle . P. . 5474 8 Stephan Grzesiek . . . 5474 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5474 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 218 5474 '13C chemical shifts' 697 5474 '15N chemical shifts' 218 5474 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 . . 2003-02-03 . update author 'update 11 nitrogen chemical shifts' 5474 2 . . 2003-01-06 . update author 'update the experimental source' 5474 3 . . 2002-11-05 . original author 'original release' 5474 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5474 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone resonance assignment of the 298 amino acid catalytic domain of protein tyrosine phosphatase 1B (PTP1B) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 165 _Citation.Page_last 166 _Citation.Year 2002 _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 Sebastian Meier . . . 5474 1 2 Yu-Chin Li . . . 5474 1 3 James Koehn . . . 5474 1 4 Isidoros Vlattas . . . 5474 1 5 James Wareing . . . 5474 1 6 Wolfgang Jahnke . . . 5474 1 7 Lawrence Wennogle . P. . 5474 1 8 Stephan Grzesiek . . . 5474 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID obesity 5474 1 diabetes 5474 1 'heteronuclear NMR' 5474 1 stop_ save_ save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 5474 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8128219 _Citation.Full_citation ; Barford, D., Flint, A.J., Tonks,N.K. (1994) Science, 263, 1397-1404. ; _Citation.Title 'Crystal structure of human protein tyrosine phosphatase 1B.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 263 _Citation.Journal_issue 5152 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0036-8075 _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 1397 _Citation.Page_last 1404 _Citation.Year 1994 _Citation.Details ; Protein tyrosine phosphatases (PTPs) constitute a family of receptor-like and cytoplasmic signal transducing enzymes that catalyze the dephosphorylation of phosphotyrosine residues and are characterized by homologous catalytic domains. The crystal structure of a representative member of this family, the 37-kilodalton form (residues 1 to 321) of PTP1B, has been determined at 2.8 A resolution. The enzyme consists of a single domain with the catalytic site located at the base of a shallow cleft. The phosphate recognition site is created from a loop that is located at the amino-terminus of an alpha helix. This site is formed from an 11-residue sequence motif that is diagnostic of PTPs and the dual specificity phosphatases, and that contains the catalytically essential cysteine and arginine residues. The position of the invariant cysteine residue within the phosphate binding site is consistent with its role as a nucleophile in the catalytic reaction. The structure of PTP1B should serve as a model for other members of the PTP family and as a framework for understanding the mechanism of tyrosine dephosphorylation. ; 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 D. Barford D. . . 5474 2 2 A.J. Flint A. J. . 5474 2 3 N.K. Tonks N. K. . 5474 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ptp1b _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ptp1b _Assembly.Entry_ID 5474 _Assembly.ID 1 _Assembly.Name 'protein tyrosine phosphatase 1B' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.1.3.48 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5474 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'protein tyrosine phosphatase 1B' 1 $ptp1b . . . native . . . . . 5474 1 2 'DADEXLIP-amide,(X=phenylalanine-p-difluoromethyl phosphonate)' 2 $DADEXLIP . . . native . . . . . 5474 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 2 . 2 ASP 1 1 . . 1 . 1 CYS 215 215 SG . . . . . . . . . . 5474 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 PDB 2HNP . . . . . ; crystal structure of 321 residues, here assignment of 298 residue catalytic domain, here no active site mutant C215S ; 5474 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'protein tyrosine phosphatase 1B' system 5474 1 ptp1b abbreviation 5474 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'protein tyrosine phosphatase' 5474 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ptp1b _Entity.Sf_category entity _Entity.Sf_framecode ptp1b _Entity.Entry_ID 5474 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'protein tyrosine phosphatase 1B' _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 ; MEMEKEFEQIDKSGSWAAIY QDIRHEASDFPCRVAKLPKN KNRNRYRDVSPFDHSRIKLH QEDNDYINASLIKMEEAQRS YILTQGPLPNTCGHFWEMVW EQKSRGVVMLNRVMEKGSLK CAQYWPQKEEKEMIFEDTNL KLTLISEDIKSYYTVRQLEL ENLTTQETREILHFHYTTWP DFGVPESPASFLNFLFKVRE SGSLSPEHGPVVVHCSAGIG RSGTFCLADTCLLLMDKRKD PSSVDIKKVLLEMRKFRMGL IQTADQLRFSYLAVIEGAKF IMGDSSVQDQWKELSHED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 298 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 34672 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT P18031 . 'Tyrosine-protein phosphatase non-receptor type 1 (Protein-tyrosine phosphatase 1B) (PTP-1B)' . . . . . 100.00 435 100.00 100.00 2.52e-177 . . . . 5474 1 . . REF XP_001096412 . 'PREDICTED: protein tyrosine phosphatase, non-receptor type 1 isoform 4 [Macaca mulatta]' . . . . . 100.00 432 100.00 100.00 2.30e-177 . . . . 5474 1 . . REF XP_001096290 . 'PREDICTED: protein tyrosine phosphatase, non-receptor type 1 isoform 3 [Macaca mulatta]' . . . . . 100.00 435 100.00 100.00 1.52e-177 . . . . 5474 1 . . REF XP_001096168 . 'PREDICTED: protein tyrosine phosphatase, non-receptor type 1 isoform 2 [Macaca mulatta]' . . . . . 100.00 432 100.00 100.00 2.30e-177 . . . . 5474 1 . . REF XP_001096053 . 'PREDICTED: protein tyrosine phosphatase, non-receptor type 1 isoform 1 [Macaca mulatta]' . . . . . 100.00 432 100.00 100.00 2.30e-177 . . . . 5474 1 . . REF NP_002818 . 'protein tyrosine phosphatase, non-receptor type 1 [Homo sapiens]' . . . . . 100.00 435 100.00 100.00 2.52e-177 . . . . 5474 1 . . GenBank AAP35398 . 'protein tyrosine phosphatase, non-receptor type 1 [Homo sapiens]' . . . . . 100.00 435 100.00 100.00 2.52e-177 . . . . 5474 1 . . GenBank AAH18164 . 'Protein tyrosine phosphatase, non-receptor type 1 [Homo sapiens]' . . . . . 100.00 435 100.00 100.00 2.52e-177 . . . . 5474 1 . . GenBank AAH15660 . 'Protein tyrosine phosphatase, non-receptor type 1 [Homo sapiens]' . . . . . 100.00 435 100.00 100.00 2.52e-177 . . . . 5474 1 . . GenBank AAA60223 . 'phosphotyrosyl-protein phosphatase (EC 3.1.3.48)' . . . . . 100.00 435 100.00 100.00 2.52e-177 . . . . 5474 1 . . GenBank AAA60157 . 'non-receptor tyrosine phosphatase 1' . . . . . 100.00 435 100.00 100.00 2.52e-177 . . . . 5474 1 . . EMBL CAI23215 . 'protein tyrosine phosphatase, non-receptor type 1 [Homo sapiens]' . . . . . 100.00 435 100.00 100.00 2.52e-177 . . . . 5474 1 . . EMBL CAH90487 . 'hypothetical protein [Pongo abelii]' . . . . . 100.00 435 99.33 99.66 1.81e-176 . . . . 5474 1 . . EMBL CAC00618 . 'protein tyrosine phosphatase, non-receptor type 1 [Homo sapiens]' . . . . . 100.00 435 100.00 100.00 2.52e-177 . . . . 5474 1 . . DBJ BAG61697 . 'unnamed protein product [Homo sapiens]' . . . . . 75.50 362 100.00 100.00 2.67e-131 . . . . 5474 1 . . DBJ BAG38152 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 435 100.00 100.00 2.52e-177 . . . . 5474 1 . . DBJ BAG11007 . 'protein tyrosine phosphatase, non-receptor type 1 [synthetic construct]' . . . . . 100.00 435 100.00 100.00 2.52e-177 . . . . 5474 1 . . DBJ BAF83327 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 435 100.00 100.00 2.52e-177 . . . . 5474 1 . . PDB 3CWE . 'Ptp1b In Complex With A Phosphonic Acid Inhibitor' . . . . . 94.97 290 100.00 100.00 9.54e-169 . . . . 5474 1 . . PDB 2VEY . 'Crystal Strucutre Of Protein Tyrosine Phosphatase 1b In Complex With An Isothiazolidinone-Containing Inhibitor' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2VEX . 'Crystal Strucutre Of Protein Tyrosine Phosphatase 1b In Complex With An Isothiazolidinone-Containing Inhibitor' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2VEW . 'Crystal Strucutre Of Protein Tyrosine Phosphatase 1b In Complex With An Isothiazolidinone-Containing Inhibitor' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2VEV . 'Crystal Strucutre Of Protein Tyrosine Phosphatase 1b In Complex With An Isothiazolidinone-Containing Inhibitor' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2VEU . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b In Complex With An Isothiazolidinone-Containing Inhibitor' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2QBS . 'Crystal Structure Of Ptp1b-Inhibitor Complex' . . . . . 100.00 299 100.00 100.00 9.35e-178 . . . . 5474 1 . . PDB 2QBR . 'Crystal Structure Of Ptp1b-Inhibitor Complex' . . . . . 100.00 299 100.00 100.00 9.35e-178 . . . . 5474 1 . . PDB 2QBQ . 'Crystal Structure Of Ptp1b-Inhibitor Complex' . . . . . 100.00 299 100.00 100.00 9.35e-178 . . . . 5474 1 . . PDB 2QBP . 'Crystal Structure Of Ptp1b-Inhibitor Complex' . . . . . 100.00 299 100.00 100.00 9.35e-178 . . . . 5474 1 . . PDB 2NTA . 'Crystal Structure Of Ptp1b-Inhibitor Complex' . . . . . 100.00 299 99.66 100.00 2.08e-177 . . . . 5474 1 . . PDB 2NT7 . 'Crystal Structure Of Ptp1b-Inhibitor Complex' . . . . . 100.00 299 99.66 100.00 2.08e-177 . . . . 5474 1 . . PDB 2HNQ . 'Crystal Structure Of Human Protein Tyrosine Phosphatase 1b' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2HNP . 'Crystal Structure Of Human Protein Tyrosine Phosphatase 1b' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2HB1 . 'Crystal Structure Of Ptp1b With Monocyclic Thiophene Inhibitor' . . . . . 100.00 299 100.00 100.00 9.35e-178 . . . . 5474 1 . . PDB 2H4K . 'Crystal Structure Of Ptp1b With A Monocyclic Thiophene Inhibitor' . . . . . 100.00 299 100.00 100.00 9.35e-178 . . . . 5474 1 . . PDB 2H4G . 'Crystal Structure Of Ptp1b With Monocyclic Thiophene Inhibitor' . . . . . 100.00 299 100.00 100.00 9.35e-178 . . . . 5474 1 . . PDB 2FJN . 'The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 2' . . . . . 100.00 310 100.00 100.00 7.34e-178 . . . . 5474 1 . . PDB 2FJM . 'The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 2' . . . . . 100.00 310 99.66 100.00 1.53e-177 . . . . 5474 1 . . PDB 2F71 . 'Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 2F70 . 'Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 2F6Z . 'Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 2F6Y . 'Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 2F6W . 'Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 2F6V . 'Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 2F6T . 'Protein Tyrosine Phosphatase 1b With Sulfamic Acid Inhibitors' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 2F6F . 'The Structure Of The S295f Mutant Of Human Ptp1b' . . . . . 100.00 302 99.66 99.66 4.42e-177 . . . . 5474 1 . . PDB 2CNI . 'Structural Insights Into The Design Of Nonpeptidic Isothiazolidinone-Containing Inhibitors Of Protein Tyrosine Phosphatase 1b' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2CNH . 'Structural Insights Into The Design Of Nonpeptidic Isothiazolidinone-Containing Inhibitors Of Protein Tyrosine Phosphatase 1b' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2CNG . 'Structural Insights Into The Design Of Nonpeptidic Isothiazolidinone-Containing Inhibitors Of Protein Tyrosine Phosphatase 1b' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2CNF . 'Structural Insights Into The Design Of Nonpeptidic Isothiazolidinone-Containing Inhibitors Of Protein Tyrosine Phosphatase 1b' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2CNE . 'Structural Insights Into The Design Of Nonpeptidic Isothiazolidinone-Containing Inhibitors Of Protein Tyrosine Phosphatase 1b' . . . . . 99.66 304 100.00 100.00 5.22e-177 . . . . 5474 1 . . PDB 2CMC . 'Structural Basis For Inhibition Of Protein Tyrosine Phosphatase 1b By Isothiazolidinone Heterocyclic Phosphonate Mimetics' . . . . . 99.66 304 100.00 100.00 5.22e-177 . . . . 5474 1 . . PDB 2CMB . 'Structural Basis For Inhibition Of Protein Tyrosine Phosphatase 1b By Isothiazolidinone Heterocyclic Phosphonate Mimetics' . . . . . 99.66 304 100.00 100.00 5.22e-177 . . . . 5474 1 . . PDB 2CMA . 'Structural Basis For Inhibition Of Protein Tyrosine Phosphatase 1b By Isothiazolidinone Heterocyclic Phosphonate Mimetics' . . . . . 99.66 327 100.00 100.00 1.98e-176 . . . . 5474 1 . . PDB 2CM8 . 'Structural Basis For Inhibition Of Protein Tyrosine Phosphatase 1b By Isothiazolidinone Heterocyclic Phosphonate Mimetics' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2CM7 . 'Structural Basis For Inhibition Of Protein Tyrosine Phosphatase 1b By Isothiazolidinone Heterocyclic Phosphonate Mimetics' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2CM3 . 'Structure Of Protein Tyrosine Phosphatase 1b (C2)' . . . . . 99.66 304 100.00 100.00 5.22e-177 . . . . 5474 1 . . PDB 2CM2 . 'Structure Of Protein Tyrosine Phosphatase 1b (P212121)' . . . . . 99.66 304 100.00 100.00 5.22e-177 . . . . 5474 1 . . PDB 2BGE . 'Structure-Based Design Of Protein Tyrosine Phosphatase-1b Inhibitors' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2BGD . 'Structure-Based Design Of Protein Tyrosine Phosphatase-1b Inhibitors' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 2B4S . 'Crystal Structure Of A Complex Between Ptp1b And The Insulin Receptor Tyrosine Kinase' . . . . . 100.00 298 99.66 99.66 4.76e-177 . . . . 5474 1 . . PDB 2B07 . 'Crystal Structure Of Ptp1b With Tricyclic Thiophene Inhibitor.' . . . . . 100.00 299 100.00 100.00 9.35e-178 . . . . 5474 1 . . PDB 2AZR . 'Crystal Structure Of Ptp1b With Bicyclic Thiophene Inhibitor' . . . . . 100.00 299 100.00 100.00 9.35e-178 . . . . 5474 1 . . PDB 1XBO . 'Ptp1b Complexed With Isoxazole Carboxylic Acid' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1WAX . 'Protein Tyrosine Phosphatase 1b With Active Site Inhibitor' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1T4J . 'Allosteric Inhibition Of Protein Tyrosine Phosphatase 1b' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 1T49 . 'Allosteric Inhibition Of Protein Tyrosine Phosphatase 1b' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 1T48 . 'Allosteric Inhibition Of Protein Tyrosine Phosphatase 1b' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 1SUG . '1.95 A Structure Of Apo Protein Tyrosine Phosphatase 1b' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1QXK . 'Monoacid-Based, Cell Permeable, Selective Inhibitors Of Protein Tyrosine Phosphatase 1b' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1Q6T . 'The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 11' . . . . . 100.00 310 100.00 100.00 7.34e-178 . . . . 5474 1 . . PDB 1Q6S . 'The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 9' . . . . . 100.00 310 100.00 100.00 7.34e-178 . . . . 5474 1 . . PDB 1Q6P . 'The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 6' . . . . . 100.00 310 100.00 100.00 7.34e-178 . . . . 5474 1 . . PDB 1Q6N . 'The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 4' . . . . . 100.00 310 100.00 100.00 7.34e-178 . . . . 5474 1 . . PDB 1Q6M . 'The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 3' . . . . . 100.00 310 100.00 100.00 7.34e-178 . . . . 5474 1 . . PDB 1Q6J . 'The Structure Of Phosphotyrosine Phosphatase 1b In Complex With Compound 2' . . . . . 100.00 310 100.00 100.00 7.34e-178 . . . . 5474 1 . . PDB 1Q1M . 'A Highly Efficient Approach To A Selective And Cell Active Ptp1b Inhibitors' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1PYN . 'Dual-Site Potent, Selective Protein Tyrosine Phosphatase 1b Inhibitor Using A Linked Fragment Strategy And A Malonate Head On The First Site' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1PXH . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b With Potent And Selective Bidentate Inhibitor Compound 2' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1PTY . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Two Phosphotyrosine Molecules' . . . . . 100.00 321 99.66 99.66 2.23e-176 . . . . 5474 1 . . PDB 1PTV . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Phosphotyrosine' . . . . . 100.00 321 98.99 99.66 1.11e-175 . . . . 5474 1 . . PDB 1PTU . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Phosphotyrosine-Containing Hexa-Peptide (Dadepyl-Nh2)' . . . . . 100.00 321 99.33 99.66 3.93e-176 . . . . 5474 1 . . PDB 1PTT . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Phosphotyrosine-Containing Tetra-Peptide (Ac-Depyl-Nh2)' . . . . . 100.00 321 99.33 99.66 3.93e-176 . . . . 5474 1 . . PDB 1PH0 . 'Non-Carboxylic Acid-Containing Inhibitor Of Ptp1b Targeting The Second Phosphotyrosine Site' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1PA1 . 'Crystal Structure Of The C215d Mutant Of Protein Tyrosine Phosphatase 1b' . . . . . 100.00 310 99.66 99.66 1.79e-176 . . . . 5474 1 . . PDB 1ONZ . 'Oxalyl-Aryl-Amino Benzoic Acid Inhibitors Of Ptp1b, Compound 8b' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1ONY . 'Oxalyl-Aryl-Amino Benzoic Acid Inhibitors Of Ptp1b, Compound 17' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1OEV . 'Oxidation State Of Protein Tyrosine Phosphatase 1b' . . . . . 100.00 321 99.66 99.66 3.71e-176 . . . . 5474 1 . . PDB 1OEU . 'Oxidation State Of Protein Tyrosine Phosphatase 1b' . . . . . 100.00 321 99.66 99.66 3.71e-176 . . . . 5474 1 . . PDB 1OET . 'Oxidation State Of Protein Tyrosine Phosphatase 1b' . . . . . 100.00 321 99.66 99.66 3.71e-176 . . . . 5474 1 . . PDB 1OES . 'Oxidation State Of Protein Tyrosine Phosphatase 1b' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1OEO . 'Ptp1b With The Catalytic Cysteine Oxidized To Sulfonic Acid' . . . . . 100.00 321 99.66 99.66 3.71e-176 . . . . 5474 1 . . PDB 1OEM . 'Ptp1b With The Catalytic Cysteine Oxidized To A Sulfenyl- Amide Bond' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1NZ7 . 'Potent, Selective Inhibitors Of Protein Tyrosine Phosphatase 1b Using A Second Phosphotyrosine Binding Site, Complexed With Compound 19.' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1NWL . 'Crystal Structure Of The Ptp1b Complexed With Sp7343-Sp7964, A Ptyr Mimetic' . . . . . 100.00 298 98.99 98.99 8.33e-175 . . . . 5474 1 . . PDB 1NWE . 'Ptp1b R47c Modified At C47 With N-[4-(2-{2-[3-(2-Bromo- Acetylamino)-Propionylamino]-3-Hydroxy-Propionylamino}- Ethyl)-Phenyl]-Oxalamic Acid' . . . . . 100.00 298 98.99 98.99 8.33e-175 . . . . 5474 1 . . PDB 1NO6 . 'Potent, Selective Protein Tyrosine Phosphatase 1b Inhibitor Compound 5 Using A Linked-Fragment Strategy' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1NNY . 'Potent, Selective Protein Tyrosine Phosphatase 1b Inhibitor Compound 23 Using A Linked-Fragment Strategy' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1NL9 . 'Potent, Selective Protein Tyrosine Phosphatase 1b Inhibitor Compound 12 Using A Linked-Fragment Strategy' . . . . . 100.00 321 100.00 100.00 2.25e-177 . . . . 5474 1 . . PDB 1LQF . 'Structure Of Ptp1b In Complex With A Peptidic Bisphosphonate Inhibitor' . . . . . 94.97 295 100.00 100.00 1.27e-168 . . . . 5474 1 . . 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-Thieno[2,3-C]pyran-3-Carboxylic Acid' . . . . . 100.00 321 99.33 100.00 1.64e-176 . . . . 5474 1 . . PDB 1KAV . 'Human Tyrosine Phosphatase 1b Complexed With An Inhibitor' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 1KAK . 'Human Tyrosine Phosphatase 1b Complexed With An Inhibitor' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 1JF7 . 'Human Ptp1b Catalytic Domain Complexed With Pnu177836' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 1I57 . 'Crystal Structure Of Apo Human Ptp1b (C215s) Mutant' . . . . . 100.00 310 99.66 99.66 9.44e-177 . . . . 5474 1 . . PDB 1G7G . 'Human Ptp1b Catalytic Domain Complexes With Pnu179326' . . . . . 100.00 298 100.00 100.00 8.25e-178 . . . . 5474 1 . . PDB 1G7F . 'Human Ptp1b Catalytic Domain Complexed With Pnu177496' . . . . . 100.00 298 99.66 100.00 2.65e-177 . . . . 5474 1 . . PDB 1G1H . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With A Bis-Phosphorylated Peptide (Etd(Ptr)(Ptr) Rkggkgll) From The Insulin Receptor Kinase' . . . . . 100.00 298 99.66 99.66 4.76e-177 . . . . 5474 1 . . PDB 1G1G . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With A Mono-Phosphorylated Peptide (Etdy(Ptr) Rkggkgll) From The Insulin Receptor Kinase' . . . . . 100.00 298 99.66 99.66 4.76e-177 . . . . 5474 1 . . PDB 1G1F . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With A Tri-Phosphorylated Peptide (Rdi(Ptr) Etd(Ptr)(Ptr)rk) From The Insulin Receptor Kinase' . . . . . 100.00 298 99.66 99.66 4.76e-177 . . . . 5474 1 . . PDB 1EEO . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Acetyl-E-L-E-F-Ptyr-M-D-Y-E-Nh2' . . . . . 100.00 321 99.66 99.66 2.23e-176 . . . . 5474 1 . . PDB 1EEN . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Acetyl-D-A-D-Bpa-Ptyr-L-I-P-Q-Q-G' . . . . . 100.00 321 99.66 99.66 2.23e-176 . . . . 5474 1 . . PDB 1ECV . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With 5-Iodo-2-(Oxalyl-Amino)-Benzoic Acid' . . . . . 100.00 298 99.33 100.00 6.48e-177 . . . . 5474 1 . . PDB 1C88 . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With 2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro- Thieno[2,3-C]pyridine-3-Carboxylic Acid' . . . . . 100.00 298 99.33 100.00 6.48e-177 . . . . 5474 1 . . PDB 1C87 . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With 2-(Oxalyl-Amino-4,7-Dihydro-5h-Thieno[2,3- C]pyran-3-Carboxylic Acid' . . . . . 100.00 298 99.33 100.00 6.48e-177 . . . . 5474 1 . . PDB 1C86 . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b (R47v, D48n) Complexed With 2-(Oxalyl-Amino-4,7-Dihydro-5h- Thieno[2,3-C]pyran-3-Carboxylic Acid' . . . . . 100.00 298 98.66 99.66 5.92e-176 . . . . 5474 1 . . PDB 1C85 . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With 2-(Oxalyl-Amino)-Benzoic Acid' . . . . . 100.00 298 99.33 100.00 6.48e-177 . . . . 5474 1 . . PDB 1C84 . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With 3-(Oxalyl-Amino)-Naphthalene-2-Carboxlic Acid' . . . . . 100.00 298 99.33 100.00 6.48e-177 . . . . 5474 1 . . PDB 1C83 . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With 6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid' . . . . . 100.00 298 99.33 100.00 6.48e-177 . . . . 5474 1 . . PDB 1BZJ . 'Human Ptp1b Complexed With Tpicooh' . . . . . 99.33 297 100.00 100.00 1.22e-176 . . . . 5474 1 . . PDB 1BZH . 'Cyclic Peptide Inhibitor Of Human Ptp1b' . . . . . 100.00 298 99.33 100.00 7.11e-177 . . . . 5474 1 . . PDB 1BZC . 'Human Ptp1b Catalytic Domain Complexed With Tpi' . . . . . 100.00 321 99.33 100.00 1.92e-176 . . . . 5474 1 . . PDB 1AAX . 'Crystal Structure Of Protein Tyrosine Phosphatase 1b Complexed With Two Bis(Para-Phosphophenyl)methane (Bppm) Molecules' . . . . . 100.00 321 99.66 99.66 2.59e-176 . . . . 5474 1 . . PDB 1A5Y . 'Protein Tyrosine Phosphatase 1b Cysteinyl-Phosphate Intermediate' . . . . . 100.00 330 98.66 99.33 2.07e-174 . . . . 5474 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'protein tyrosine phosphatase 1B' common 5474 1 PTP1B abbreviation 5474 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5474 1 2 . GLU . 5474 1 3 . MET . 5474 1 4 . GLU . 5474 1 5 . LYS . 5474 1 6 . GLU . 5474 1 7 . PHE . 5474 1 8 . GLU . 5474 1 9 . GLN . 5474 1 10 . ILE . 5474 1 11 . ASP . 5474 1 12 . LYS . 5474 1 13 . SER . 5474 1 14 . GLY . 5474 1 15 . SER . 5474 1 16 . TRP . 5474 1 17 . ALA . 5474 1 18 . ALA . 5474 1 19 . ILE . 5474 1 20 . TYR . 5474 1 21 . GLN . 5474 1 22 . ASP . 5474 1 23 . ILE . 5474 1 24 . ARG . 5474 1 25 . HIS . 5474 1 26 . GLU . 5474 1 27 . ALA . 5474 1 28 . SER . 5474 1 29 . ASP . 5474 1 30 . PHE . 5474 1 31 . PRO . 5474 1 32 . CYS . 5474 1 33 . ARG . 5474 1 34 . VAL . 5474 1 35 . ALA . 5474 1 36 . LYS . 5474 1 37 . LEU . 5474 1 38 . PRO . 5474 1 39 . LYS . 5474 1 40 . ASN . 5474 1 41 . LYS . 5474 1 42 . ASN . 5474 1 43 . ARG . 5474 1 44 . ASN . 5474 1 45 . ARG . 5474 1 46 . TYR . 5474 1 47 . ARG . 5474 1 48 . ASP . 5474 1 49 . VAL . 5474 1 50 . SER . 5474 1 51 . PRO . 5474 1 52 . PHE . 5474 1 53 . ASP . 5474 1 54 . HIS . 5474 1 55 . SER . 5474 1 56 . ARG . 5474 1 57 . ILE . 5474 1 58 . LYS . 5474 1 59 . LEU . 5474 1 60 . HIS . 5474 1 61 . GLN . 5474 1 62 . GLU . 5474 1 63 . ASP . 5474 1 64 . ASN . 5474 1 65 . ASP . 5474 1 66 . TYR . 5474 1 67 . ILE . 5474 1 68 . ASN . 5474 1 69 . ALA . 5474 1 70 . SER . 5474 1 71 . LEU . 5474 1 72 . ILE . 5474 1 73 . LYS . 5474 1 74 . MET . 5474 1 75 . GLU . 5474 1 76 . GLU . 5474 1 77 . ALA . 5474 1 78 . GLN . 5474 1 79 . ARG . 5474 1 80 . SER . 5474 1 81 . TYR . 5474 1 82 . ILE . 5474 1 83 . LEU . 5474 1 84 . THR . 5474 1 85 . GLN . 5474 1 86 . GLY . 5474 1 87 . PRO . 5474 1 88 . LEU . 5474 1 89 . PRO . 5474 1 90 . ASN . 5474 1 91 . THR . 5474 1 92 . CYS . 5474 1 93 . GLY . 5474 1 94 . HIS . 5474 1 95 . PHE . 5474 1 96 . TRP . 5474 1 97 . GLU . 5474 1 98 . MET . 5474 1 99 . VAL . 5474 1 100 . TRP . 5474 1 101 . GLU . 5474 1 102 . GLN . 5474 1 103 . LYS . 5474 1 104 . SER . 5474 1 105 . ARG . 5474 1 106 . GLY . 5474 1 107 . VAL . 5474 1 108 . VAL . 5474 1 109 . MET . 5474 1 110 . LEU . 5474 1 111 . ASN . 5474 1 112 . ARG . 5474 1 113 . VAL . 5474 1 114 . MET . 5474 1 115 . GLU . 5474 1 116 . LYS . 5474 1 117 . GLY . 5474 1 118 . SER . 5474 1 119 . LEU . 5474 1 120 . LYS . 5474 1 121 . CYS . 5474 1 122 . ALA . 5474 1 123 . GLN . 5474 1 124 . TYR . 5474 1 125 . TRP . 5474 1 126 . PRO . 5474 1 127 . GLN . 5474 1 128 . LYS . 5474 1 129 . GLU . 5474 1 130 . GLU . 5474 1 131 . LYS . 5474 1 132 . GLU . 5474 1 133 . MET . 5474 1 134 . ILE . 5474 1 135 . PHE . 5474 1 136 . GLU . 5474 1 137 . ASP . 5474 1 138 . THR . 5474 1 139 . ASN . 5474 1 140 . LEU . 5474 1 141 . LYS . 5474 1 142 . LEU . 5474 1 143 . THR . 5474 1 144 . LEU . 5474 1 145 . ILE . 5474 1 146 . SER . 5474 1 147 . GLU . 5474 1 148 . ASP . 5474 1 149 . ILE . 5474 1 150 . LYS . 5474 1 151 . SER . 5474 1 152 . TYR . 5474 1 153 . TYR . 5474 1 154 . THR . 5474 1 155 . VAL . 5474 1 156 . ARG . 5474 1 157 . GLN . 5474 1 158 . LEU . 5474 1 159 . GLU . 5474 1 160 . LEU . 5474 1 161 . GLU . 5474 1 162 . ASN . 5474 1 163 . LEU . 5474 1 164 . THR . 5474 1 165 . THR . 5474 1 166 . GLN . 5474 1 167 . GLU . 5474 1 168 . THR . 5474 1 169 . ARG . 5474 1 170 . GLU . 5474 1 171 . ILE . 5474 1 172 . LEU . 5474 1 173 . HIS . 5474 1 174 . PHE . 5474 1 175 . HIS . 5474 1 176 . TYR . 5474 1 177 . THR . 5474 1 178 . THR . 5474 1 179 . TRP . 5474 1 180 . PRO . 5474 1 181 . ASP . 5474 1 182 . PHE . 5474 1 183 . GLY . 5474 1 184 . VAL . 5474 1 185 . PRO . 5474 1 186 . GLU . 5474 1 187 . SER . 5474 1 188 . PRO . 5474 1 189 . ALA . 5474 1 190 . SER . 5474 1 191 . PHE . 5474 1 192 . LEU . 5474 1 193 . ASN . 5474 1 194 . PHE . 5474 1 195 . LEU . 5474 1 196 . PHE . 5474 1 197 . LYS . 5474 1 198 . VAL . 5474 1 199 . ARG . 5474 1 200 . GLU . 5474 1 201 . SER . 5474 1 202 . GLY . 5474 1 203 . SER . 5474 1 204 . LEU . 5474 1 205 . SER . 5474 1 206 . PRO . 5474 1 207 . GLU . 5474 1 208 . HIS . 5474 1 209 . GLY . 5474 1 210 . PRO . 5474 1 211 . VAL . 5474 1 212 . VAL . 5474 1 213 . VAL . 5474 1 214 . HIS . 5474 1 215 . CYS . 5474 1 216 . SER . 5474 1 217 . ALA . 5474 1 218 . GLY . 5474 1 219 . ILE . 5474 1 220 . GLY . 5474 1 221 . ARG . 5474 1 222 . SER . 5474 1 223 . GLY . 5474 1 224 . THR . 5474 1 225 . PHE . 5474 1 226 . CYS . 5474 1 227 . LEU . 5474 1 228 . ALA . 5474 1 229 . ASP . 5474 1 230 . THR . 5474 1 231 . CYS . 5474 1 232 . LEU . 5474 1 233 . LEU . 5474 1 234 . LEU . 5474 1 235 . MET . 5474 1 236 . ASP . 5474 1 237 . LYS . 5474 1 238 . ARG . 5474 1 239 . LYS . 5474 1 240 . ASP . 5474 1 241 . PRO . 5474 1 242 . SER . 5474 1 243 . SER . 5474 1 244 . VAL . 5474 1 245 . ASP . 5474 1 246 . ILE . 5474 1 247 . LYS . 5474 1 248 . LYS . 5474 1 249 . VAL . 5474 1 250 . LEU . 5474 1 251 . LEU . 5474 1 252 . GLU . 5474 1 253 . MET . 5474 1 254 . ARG . 5474 1 255 . LYS . 5474 1 256 . PHE . 5474 1 257 . ARG . 5474 1 258 . MET . 5474 1 259 . GLY . 5474 1 260 . LEU . 5474 1 261 . ILE . 5474 1 262 . GLN . 5474 1 263 . THR . 5474 1 264 . ALA . 5474 1 265 . ASP . 5474 1 266 . GLN . 5474 1 267 . LEU . 5474 1 268 . ARG . 5474 1 269 . PHE . 5474 1 270 . SER . 5474 1 271 . TYR . 5474 1 272 . LEU . 5474 1 273 . ALA . 5474 1 274 . VAL . 5474 1 275 . ILE . 5474 1 276 . GLU . 5474 1 277 . GLY . 5474 1 278 . ALA . 5474 1 279 . LYS . 5474 1 280 . PHE . 5474 1 281 . ILE . 5474 1 282 . MET . 5474 1 283 . GLY . 5474 1 284 . ASP . 5474 1 285 . SER . 5474 1 286 . SER . 5474 1 287 . VAL . 5474 1 288 . GLN . 5474 1 289 . ASP . 5474 1 290 . GLN . 5474 1 291 . TRP . 5474 1 292 . LYS . 5474 1 293 . GLU . 5474 1 294 . LEU . 5474 1 295 . SER . 5474 1 296 . HIS . 5474 1 297 . GLU . 5474 1 298 . ASP . 5474 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5474 1 . GLU 2 2 5474 1 . MET 3 3 5474 1 . GLU 4 4 5474 1 . LYS 5 5 5474 1 . GLU 6 6 5474 1 . PHE 7 7 5474 1 . GLU 8 8 5474 1 . GLN 9 9 5474 1 . ILE 10 10 5474 1 . ASP 11 11 5474 1 . LYS 12 12 5474 1 . SER 13 13 5474 1 . GLY 14 14 5474 1 . SER 15 15 5474 1 . TRP 16 16 5474 1 . ALA 17 17 5474 1 . ALA 18 18 5474 1 . ILE 19 19 5474 1 . TYR 20 20 5474 1 . GLN 21 21 5474 1 . ASP 22 22 5474 1 . ILE 23 23 5474 1 . ARG 24 24 5474 1 . HIS 25 25 5474 1 . GLU 26 26 5474 1 . ALA 27 27 5474 1 . SER 28 28 5474 1 . ASP 29 29 5474 1 . PHE 30 30 5474 1 . PRO 31 31 5474 1 . CYS 32 32 5474 1 . ARG 33 33 5474 1 . VAL 34 34 5474 1 . ALA 35 35 5474 1 . LYS 36 36 5474 1 . LEU 37 37 5474 1 . PRO 38 38 5474 1 . LYS 39 39 5474 1 . ASN 40 40 5474 1 . LYS 41 41 5474 1 . ASN 42 42 5474 1 . ARG 43 43 5474 1 . ASN 44 44 5474 1 . ARG 45 45 5474 1 . TYR 46 46 5474 1 . ARG 47 47 5474 1 . ASP 48 48 5474 1 . VAL 49 49 5474 1 . SER 50 50 5474 1 . PRO 51 51 5474 1 . PHE 52 52 5474 1 . ASP 53 53 5474 1 . HIS 54 54 5474 1 . SER 55 55 5474 1 . ARG 56 56 5474 1 . ILE 57 57 5474 1 . LYS 58 58 5474 1 . LEU 59 59 5474 1 . HIS 60 60 5474 1 . GLN 61 61 5474 1 . GLU 62 62 5474 1 . ASP 63 63 5474 1 . ASN 64 64 5474 1 . ASP 65 65 5474 1 . TYR 66 66 5474 1 . ILE 67 67 5474 1 . ASN 68 68 5474 1 . ALA 69 69 5474 1 . SER 70 70 5474 1 . LEU 71 71 5474 1 . ILE 72 72 5474 1 . LYS 73 73 5474 1 . MET 74 74 5474 1 . GLU 75 75 5474 1 . GLU 76 76 5474 1 . ALA 77 77 5474 1 . GLN 78 78 5474 1 . ARG 79 79 5474 1 . SER 80 80 5474 1 . TYR 81 81 5474 1 . ILE 82 82 5474 1 . LEU 83 83 5474 1 . THR 84 84 5474 1 . GLN 85 85 5474 1 . GLY 86 86 5474 1 . PRO 87 87 5474 1 . LEU 88 88 5474 1 . PRO 89 89 5474 1 . ASN 90 90 5474 1 . THR 91 91 5474 1 . CYS 92 92 5474 1 . GLY 93 93 5474 1 . HIS 94 94 5474 1 . PHE 95 95 5474 1 . TRP 96 96 5474 1 . GLU 97 97 5474 1 . MET 98 98 5474 1 . VAL 99 99 5474 1 . TRP 100 100 5474 1 . GLU 101 101 5474 1 . GLN 102 102 5474 1 . LYS 103 103 5474 1 . SER 104 104 5474 1 . ARG 105 105 5474 1 . GLY 106 106 5474 1 . VAL 107 107 5474 1 . VAL 108 108 5474 1 . MET 109 109 5474 1 . LEU 110 110 5474 1 . ASN 111 111 5474 1 . ARG 112 112 5474 1 . VAL 113 113 5474 1 . MET 114 114 5474 1 . GLU 115 115 5474 1 . LYS 116 116 5474 1 . GLY 117 117 5474 1 . SER 118 118 5474 1 . LEU 119 119 5474 1 . LYS 120 120 5474 1 . CYS 121 121 5474 1 . ALA 122 122 5474 1 . GLN 123 123 5474 1 . TYR 124 124 5474 1 . TRP 125 125 5474 1 . PRO 126 126 5474 1 . GLN 127 127 5474 1 . LYS 128 128 5474 1 . GLU 129 129 5474 1 . GLU 130 130 5474 1 . LYS 131 131 5474 1 . GLU 132 132 5474 1 . MET 133 133 5474 1 . ILE 134 134 5474 1 . PHE 135 135 5474 1 . GLU 136 136 5474 1 . ASP 137 137 5474 1 . THR 138 138 5474 1 . ASN 139 139 5474 1 . LEU 140 140 5474 1 . LYS 141 141 5474 1 . LEU 142 142 5474 1 . THR 143 143 5474 1 . LEU 144 144 5474 1 . ILE 145 145 5474 1 . SER 146 146 5474 1 . GLU 147 147 5474 1 . ASP 148 148 5474 1 . ILE 149 149 5474 1 . LYS 150 150 5474 1 . SER 151 151 5474 1 . TYR 152 152 5474 1 . TYR 153 153 5474 1 . THR 154 154 5474 1 . VAL 155 155 5474 1 . ARG 156 156 5474 1 . GLN 157 157 5474 1 . LEU 158 158 5474 1 . GLU 159 159 5474 1 . LEU 160 160 5474 1 . GLU 161 161 5474 1 . ASN 162 162 5474 1 . LEU 163 163 5474 1 . THR 164 164 5474 1 . THR 165 165 5474 1 . GLN 166 166 5474 1 . GLU 167 167 5474 1 . THR 168 168 5474 1 . ARG 169 169 5474 1 . GLU 170 170 5474 1 . ILE 171 171 5474 1 . LEU 172 172 5474 1 . HIS 173 173 5474 1 . PHE 174 174 5474 1 . HIS 175 175 5474 1 . TYR 176 176 5474 1 . THR 177 177 5474 1 . THR 178 178 5474 1 . TRP 179 179 5474 1 . PRO 180 180 5474 1 . ASP 181 181 5474 1 . PHE 182 182 5474 1 . GLY 183 183 5474 1 . VAL 184 184 5474 1 . PRO 185 185 5474 1 . GLU 186 186 5474 1 . SER 187 187 5474 1 . PRO 188 188 5474 1 . ALA 189 189 5474 1 . SER 190 190 5474 1 . PHE 191 191 5474 1 . LEU 192 192 5474 1 . ASN 193 193 5474 1 . PHE 194 194 5474 1 . LEU 195 195 5474 1 . PHE 196 196 5474 1 . LYS 197 197 5474 1 . VAL 198 198 5474 1 . ARG 199 199 5474 1 . GLU 200 200 5474 1 . SER 201 201 5474 1 . GLY 202 202 5474 1 . SER 203 203 5474 1 . LEU 204 204 5474 1 . SER 205 205 5474 1 . PRO 206 206 5474 1 . GLU 207 207 5474 1 . HIS 208 208 5474 1 . GLY 209 209 5474 1 . PRO 210 210 5474 1 . VAL 211 211 5474 1 . VAL 212 212 5474 1 . VAL 213 213 5474 1 . HIS 214 214 5474 1 . CYS 215 215 5474 1 . SER 216 216 5474 1 . ALA 217 217 5474 1 . GLY 218 218 5474 1 . ILE 219 219 5474 1 . GLY 220 220 5474 1 . ARG 221 221 5474 1 . SER 222 222 5474 1 . GLY 223 223 5474 1 . THR 224 224 5474 1 . PHE 225 225 5474 1 . CYS 226 226 5474 1 . LEU 227 227 5474 1 . ALA 228 228 5474 1 . ASP 229 229 5474 1 . THR 230 230 5474 1 . CYS 231 231 5474 1 . LEU 232 232 5474 1 . LEU 233 233 5474 1 . LEU 234 234 5474 1 . MET 235 235 5474 1 . ASP 236 236 5474 1 . LYS 237 237 5474 1 . ARG 238 238 5474 1 . LYS 239 239 5474 1 . ASP 240 240 5474 1 . PRO 241 241 5474 1 . SER 242 242 5474 1 . SER 243 243 5474 1 . VAL 244 244 5474 1 . ASP 245 245 5474 1 . ILE 246 246 5474 1 . LYS 247 247 5474 1 . LYS 248 248 5474 1 . VAL 249 249 5474 1 . LEU 250 250 5474 1 . LEU 251 251 5474 1 . GLU 252 252 5474 1 . MET 253 253 5474 1 . ARG 254 254 5474 1 . LYS 255 255 5474 1 . PHE 256 256 5474 1 . ARG 257 257 5474 1 . MET 258 258 5474 1 . GLY 259 259 5474 1 . LEU 260 260 5474 1 . ILE 261 261 5474 1 . GLN 262 262 5474 1 . THR 263 263 5474 1 . ALA 264 264 5474 1 . ASP 265 265 5474 1 . GLN 266 266 5474 1 . LEU 267 267 5474 1 . ARG 268 268 5474 1 . PHE 269 269 5474 1 . SER 270 270 5474 1 . TYR 271 271 5474 1 . LEU 272 272 5474 1 . ALA 273 273 5474 1 . VAL 274 274 5474 1 . ILE 275 275 5474 1 . GLU 276 276 5474 1 . GLY 277 277 5474 1 . ALA 278 278 5474 1 . LYS 279 279 5474 1 . PHE 280 280 5474 1 . ILE 281 281 5474 1 . MET 282 282 5474 1 . GLY 283 283 5474 1 . ASP 284 284 5474 1 . SER 285 285 5474 1 . SER 286 286 5474 1 . VAL 287 287 5474 1 . GLN 288 288 5474 1 . ASP 289 289 5474 1 . GLN 290 290 5474 1 . TRP 291 291 5474 1 . LYS 292 292 5474 1 . GLU 293 293 5474 1 . LEU 294 294 5474 1 . SER 295 295 5474 1 . HIS 296 296 5474 1 . GLU 297 297 5474 1 . ASP 298 298 5474 1 stop_ save_ save_DADEXLIP _Entity.Sf_category entity _Entity.Sf_framecode DADEXLIP _Entity.Entry_ID 5474 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'DADEXLIP-amide,(X=phenylalanine-p-difluoromethyl phosphonate)' _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 DADEXLIP _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 34672 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASP . 5474 2 2 . ALA . 5474 2 3 . ASP . 5474 2 4 . GLU . 5474 2 5 . X . 5474 2 6 . LEU . 5474 2 7 . ILE . 5474 2 8 . PRO . 5474 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 5474 2 . ALA 2 2 5474 2 . ASP 3 3 5474 2 . GLU 4 4 5474 2 . X 5 5 5474 2 . LEU 6 6 5474 2 . ILE 7 7 5474 2 . PRO 8 8 5474 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5474 _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 . . . . . . . . . . . . . . . . . . . . . 5474 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 5474 _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' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . 'pET 19-b' . . . ; human hippocampal cDNA library (Clonetech). Human PTP-1B (1-298) was cloned from a human hippocampal cDNA library (Clonetech) using PCR and placed into a pET 19-b vector (Novagen) at the Nco1 restriction site. E. coli strain BL21 (DE3) was transformed, individual colonies picked, inoculated into 5 ml LB-ampicillin medium and grown at 37?C overnight. This culture was diluted 1:100 in a total volume of 50 ml and allowed to grow to an OD600 of 0.6. IPTG (0.1 mM) was added and the culture was incubated with shaking for another 4 h at 37?C. Cells were collected by centrifugation and lysis performed by re-suspending the pellet into 5 ml of ice-cold buffer containing 50 mM TRIS pH.7.6, 150 mM NaCl, 5 mM DTT, 0.1% Triton-X100, 100 ?M PMSF, 100 ?g/ml DNase 1, 2 mM MgCl2, and 100 ?g/ml lysozyme. The suspension was sonicated on ice with 4 x 10 sec bursts of a Branson sonication probe. After leaving at 4?C for 30 min, the sonicate was centrifuged at 35,000g for 20 min and the supernatant collected. The supernatant was buffer exchanged and purified on a cation exchange POROS 20SP column followed by an anion exchange Source 30Q (Pharmacia) column, using linear NaCl gradient elutions. The cation exchange buffer was 50 mM MES, 75 mM NaCl, 5 mM DTT, pH 6.5 and Anion Exchange Buffer was 50 mM TRIS, 50 mM NaCl, 5 mM DTT, pH 8.0. Enzyme was pooled, adjusted to 1 mg/ml (in a buffer of 50 mM NaCl, 50 mM TRIS, 3 mM DTT, pH 7.5) and frozen at -80 C. As judged by SDS-polyacrylamide gel electrophoresis, preparations approached 98% purity. ; . . 5474 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5474 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'protein tyrosine phosphatase 1B' '[U-100% 15N; U-100% 13C]' . . 1 $ptp1b . . 0.5 . . mM . . . . 5474 1 2 DADEXLIP . . . 2 $DADEXLIP . . 1 . . mM . . . . 5474 1 3 H2O . . . . . . . 30 . . % . . . . 5474 1 4 D2O . . . . . . . 70 . . % . . . . 5474 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5474 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.1 n/a 5474 1 temperature 293 1 K 5474 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPIPE _Software.Sf_category software _Software.Sf_framecode nmrPIPE _Software.Entry_ID 5474 _Software.ID 1 _Software.Name nmrPIPE _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 5474 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 5474 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5474 _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 NMR_spectrometer1 Bruker DRX . 600 . . . 5474 1 2 NMR_spectrometer2 Bruker DRX . 800 . . . 5474 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 5474 _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 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5474 1 2 HN(CA)CO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5474 1 3 HN(CO)CACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5474 1 4 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5474 1 5 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5474 1 6 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5474 1 7 'HN(CO)CA TROSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5474 1 8 'HN(CA)CO TROSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5474 1 9 'HN(CO)CACB TROSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5474 1 10 'HNCACB TROSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5474 1 11 'HNCA TROSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5474 1 12 'HNCO TROSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5474 1 13 '15N-edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5474 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5474 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPIPE _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Standard and TROSY versions of each experiment were performed.' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5474 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPIPE _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Standard and TROSY versions of each experiment were performed.' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5474 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPIPE _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Standard and TROSY versions of each experiment were performed.' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5474 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPIPE _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Standard and TROSY versions of each experiment were performed.' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5474 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPIPE _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Standard and TROSY versions of each experiment were performed.' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5474 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPIPE _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Standard and TROSY versions of each experiment were performed.' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5474 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'HN(CO)CA TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPIPE _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Standard and TROSY versions of each experiment were performed.' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5474 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'HN(CA)CO TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPIPE _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Standard and TROSY versions of each experiment were performed.' save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5474 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'HN(CO)CACB TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPIPE _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Standard and TROSY versions of each experiment were performed.' save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5474 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 'HNCACB TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPIPE _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Standard and TROSY versions of each experiment were performed.' save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5474 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 'HNCA TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPIPE _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Standard and TROSY versions of each experiment were performed.' save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5474 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 'HNCO TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPIPE _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Standard and TROSY versions of each experiment were performed.' save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5474 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPIPE _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Standard and TROSY versions of each experiment were performed.' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5474 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 . direct . . . . . . . . . . 5474 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5474 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5474 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 1 1 MET C C 13 178.24 . . 1 . . . . . . . . 5474 1 2 . 1 1 1 1 MET CA C 13 57.80 . . 1 . . . . . . . . 5474 1 3 . 1 1 1 1 MET CB C 13 31.46 . . 1 . . . . . . . . 5474 1 4 . 1 1 2 2 GLU N N 15 120.30 . . 1 . . . . . . . . 5474 1 5 . 1 1 2 2 GLU H H 1 7.83 . . 1 . . . . . . . . 5474 1 6 . 1 1 2 2 GLU C C 13 178.34 . . 1 . . . . . . . . 5474 1 7 . 1 1 2 2 GLU CA C 13 57.86 . . 1 . . . . . . . . 5474 1 8 . 1 1 2 2 GLU CB C 13 28.99 . . 1 . . . . . . . . 5474 1 9 . 1 1 3 3 MET N N 15 121.24 . . 1 . . . . . . . . 5474 1 10 . 1 1 3 3 MET H H 1 8.81 . . 1 . . . . . . . . 5474 1 11 . 1 1 3 3 MET C C 13 178.16 . . 1 . . . . . . . . 5474 1 12 . 1 1 3 3 MET CA C 13 59.56 . . 1 . . . . . . . . 5474 1 13 . 1 1 3 3 MET CB C 13 32.72 . . 1 . . . . . . . . 5474 1 14 . 1 1 4 4 GLU N N 15 118.07 . . 1 . . . . . . . . 5474 1 15 . 1 1 4 4 GLU H H 1 8.55 . . 1 . . . . . . . . 5474 1 16 . 1 1 4 4 GLU C C 13 178.70 . . 1 . . . . . . . . 5474 1 17 . 1 1 4 4 GLU CA C 13 59.49 . . 1 . . . . . . . . 5474 1 18 . 1 1 4 4 GLU CB C 13 29.00 . . 1 . . . . . . . . 5474 1 19 . 1 1 5 5 LYS N N 15 119.35 . . 1 . . . . . . . . 5474 1 20 . 1 1 5 5 LYS H H 1 7.27 . . 1 . . . . . . . . 5474 1 21 . 1 1 5 5 LYS C C 13 179.39 . . 1 . . . . . . . . 5474 1 22 . 1 1 5 5 LYS CA C 13 58.11 . . 1 . . . . . . . . 5474 1 23 . 1 1 5 5 LYS CB C 13 31.07 . . 1 . . . . . . . . 5474 1 24 . 1 1 6 6 GLU N N 15 121.49 . . 1 . . . . . . . . 5474 1 25 . 1 1 6 6 GLU H H 1 8.25 . . 1 . . . . . . . . 5474 1 26 . 1 1 6 6 GLU C C 13 177.84 . . 1 . . . . . . . . 5474 1 27 . 1 1 6 6 GLU CA C 13 59.20 . . 1 . . . . . . . . 5474 1 28 . 1 1 6 6 GLU CB C 13 28.98 . . 1 . . . . . . . . 5474 1 29 . 1 1 7 7 PHE N N 15 118.13 . . 1 . . . . . . . . 5474 1 30 . 1 1 7 7 PHE H H 1 8.50 . . 1 . . . . . . . . 5474 1 31 . 1 1 7 7 PHE C C 13 176.49 . . 1 . . . . . . . . 5474 1 32 . 1 1 7 7 PHE CA C 13 61.74 . . 1 . . . . . . . . 5474 1 33 . 1 1 7 7 PHE CB C 13 39.28 . . 1 . . . . . . . . 5474 1 34 . 1 1 8 8 GLU N N 15 116.92 . . 1 . . . . . . . . 5474 1 35 . 1 1 8 8 GLU H H 1 7.91 . . 1 . . . . . . . . 5474 1 36 . 1 1 8 8 GLU C C 13 176.51 . . 1 . . . . . . . . 5474 1 37 . 1 1 8 8 GLU CA C 13 58.87 . . 1 . . . . . . . . 5474 1 38 . 1 1 8 8 GLU CB C 13 28.97 . . 1 . . . . . . . . 5474 1 39 . 1 1 9 9 GLN N N 15 117.90 . . 1 . . . . . . . . 5474 1 40 . 1 1 9 9 GLN H H 1 7.70 . . 1 . . . . . . . . 5474 1 41 . 1 1 9 9 GLN C C 13 179.23 . . 1 . . . . . . . . 5474 1 42 . 1 1 9 9 GLN CA C 13 58.32 . . 1 . . . . . . . . 5474 1 43 . 1 1 9 9 GLN CB C 13 27.40 . . 1 . . . . . . . . 5474 1 44 . 1 1 10 10 ILE N N 15 121.95 . . 1 . . . . . . . . 5474 1 45 . 1 1 10 10 ILE H H 1 8.01 . . 1 . . . . . . . . 5474 1 46 . 1 1 10 10 ILE C C 13 178.34 . . 1 . . . . . . . . 5474 1 47 . 1 1 10 10 ILE CA C 13 64.27 . . 1 . . . . . . . . 5474 1 48 . 1 1 10 10 ILE CB C 13 37.02 . . 1 . . . . . . . . 5474 1 49 . 1 1 11 11 ASP N N 15 118.84 . . 1 . . . . . . . . 5474 1 50 . 1 1 11 11 ASP H H 1 8.34 . . 1 . . . . . . . . 5474 1 51 . 1 1 11 11 ASP C C 13 180.35 . . 1 . . . . . . . . 5474 1 52 . 1 1 11 11 ASP CA C 13 57.00 . . 1 . . . . . . . . 5474 1 53 . 1 1 11 11 ASP CB C 13 41.43 . . 1 . . . . . . . . 5474 1 54 . 1 1 12 12 LYS N N 15 117.11 . . 1 . . . . . . . . 5474 1 55 . 1 1 12 12 LYS H H 1 8.25 . . 1 . . . . . . . . 5474 1 56 . 1 1 12 12 LYS C C 13 178.41 . . 1 . . . . . . . . 5474 1 57 . 1 1 12 12 LYS CA C 13 58.29 . . 1 . . . . . . . . 5474 1 58 . 1 1 12 12 LYS CB C 13 31.31 . . 1 . . . . . . . . 5474 1 59 . 1 1 13 13 SER N N 15 110.64 . . 1 . . . . . . . . 5474 1 60 . 1 1 13 13 SER H H 1 7.40 . . 1 . . . . . . . . 5474 1 61 . 1 1 13 13 SER C C 13 174.05 . . 1 . . . . . . . . 5474 1 62 . 1 1 13 13 SER CA C 13 58.15 . . 1 . . . . . . . . 5474 1 63 . 1 1 13 13 SER CB C 13 63.50 . . 1 . . . . . . . . 5474 1 64 . 1 1 14 14 GLY N N 15 112.27 . . 1 . . . . . . . . 5474 1 65 . 1 1 14 14 GLY H H 1 7.73 . . 1 . . . . . . . . 5474 1 66 . 1 1 14 14 GLY C C 13 176.97 . . 1 . . . . . . . . 5474 1 67 . 1 1 14 14 GLY CA C 13 46.40 . . 1 . . . . . . . . 5474 1 68 . 1 1 15 15 SER N N 15 110.78 . . 1 . . . . . . . . 5474 1 69 . 1 1 15 15 SER H H 1 7.66 . . 1 . . . . . . . . 5474 1 70 . 1 1 15 15 SER C C 13 174.00 . . 1 . . . . . . . . 5474 1 71 . 1 1 15 15 SER CA C 13 58.18 . . 1 . . . . . . . . 5474 1 72 . 1 1 15 15 SER CB C 13 62.77 . . 1 . . . . . . . . 5474 1 73 . 1 1 16 16 TRP N N 15 120.96 . . 1 . . . . . . . . 5474 1 74 . 1 1 16 16 TRP H H 1 7.02 . . 1 . . . . . . . . 5474 1 75 . 1 1 16 16 TRP C C 13 177.68 . . 1 . . . . . . . . 5474 1 76 . 1 1 16 16 TRP CA C 13 59.94 . . 1 . . . . . . . . 5474 1 77 . 1 1 16 16 TRP CB C 13 28.33 . . 1 . . . . . . . . 5474 1 78 . 1 1 17 17 ALA N N 15 118.75 . . 1 . . . . . . . . 5474 1 79 . 1 1 17 17 ALA H H 1 8.61 . . 1 . . . . . . . . 5474 1 80 . 1 1 17 17 ALA C C 13 180.15 . . 1 . . . . . . . . 5474 1 81 . 1 1 17 17 ALA CA C 13 55.04 . . 1 . . . . . . . . 5474 1 82 . 1 1 17 17 ALA CB C 13 16.91 . . 1 . . . . . . . . 5474 1 83 . 1 1 18 18 ALA N N 15 122.04 . . 1 . . . . . . . . 5474 1 84 . 1 1 18 18 ALA H H 1 7.59 . . 1 . . . . . . . . 5474 1 85 . 1 1 18 18 ALA C C 13 180.19 . . 1 . . . . . . . . 5474 1 86 . 1 1 18 18 ALA CA C 13 54.60 . . 1 . . . . . . . . 5474 1 87 . 1 1 18 18 ALA CB C 13 17.19 . . 1 . . . . . . . . 5474 1 88 . 1 1 19 19 ILE N N 15 118.50 . . 1 . . . . . . . . 5474 1 89 . 1 1 19 19 ILE H H 1 7.81 . . 1 . . . . . . . . 5474 1 90 . 1 1 19 19 ILE C C 13 178.74 . . 1 . . . . . . . . 5474 1 91 . 1 1 19 19 ILE CA C 13 62.83 . . 1 . . . . . . . . 5474 1 92 . 1 1 19 19 ILE CB C 13 36.42 . . 1 . . . . . . . . 5474 1 93 . 1 1 20 20 TYR N N 15 119.47 . . 1 . . . . . . . . 5474 1 94 . 1 1 20 20 TYR H H 1 8.52 . . 1 . . . . . . . . 5474 1 95 . 1 1 20 20 TYR C C 13 177.06 . . 1 . . . . . . . . 5474 1 96 . 1 1 20 20 TYR CA C 13 61.49 . . 1 . . . . . . . . 5474 1 97 . 1 1 20 20 TYR CB C 13 38.01 . . 1 . . . . . . . . 5474 1 98 . 1 1 21 21 GLN N N 15 117.57 . . 1 . . . . . . . . 5474 1 99 . 1 1 21 21 GLN H H 1 8.07 . . 1 . . . . . . . . 5474 1 100 . 1 1 21 21 GLN C C 13 177.97 . . 1 . . . . . . . . 5474 1 101 . 1 1 21 21 GLN CA C 13 58.09 . . 1 . . . . . . . . 5474 1 102 . 1 1 21 21 GLN CB C 13 26.91 . . 1 . . . . . . . . 5474 1 103 . 1 1 22 22 ASP N N 15 119.86 . . 1 . . . . . . . . 5474 1 104 . 1 1 22 22 ASP H H 1 7.71 . . 1 . . . . . . . . 5474 1 105 . 1 1 22 22 ASP C C 13 178.92 . . 1 . . . . . . . . 5474 1 106 . 1 1 22 22 ASP CA C 13 57.21 . . 1 . . . . . . . . 5474 1 107 . 1 1 22 22 ASP CB C 13 39.28 . . 1 . . . . . . . . 5474 1 108 . 1 1 23 23 ILE N N 15 119.69 . . 1 . . . . . . . . 5474 1 109 . 1 1 23 23 ILE H H 1 7.52 . . 1 . . . . . . . . 5474 1 110 . 1 1 23 23 ILE C C 13 177.24 . . 1 . . . . . . . . 5474 1 111 . 1 1 23 23 ILE CA C 13 64.46 . . 1 . . . . . . . . 5474 1 112 . 1 1 23 23 ILE CB C 13 36.36 . . 1 . . . . . . . . 5474 1 113 . 1 1 24 24 ARG N N 15 116.76 . . 1 . . . . . . . . 5474 1 114 . 1 1 24 24 ARG H H 1 7.59 . . 1 . . . . . . . . 5474 1 115 . 1 1 24 24 ARG C C 13 179.34 . . 1 . . . . . . . . 5474 1 116 . 1 1 24 24 ARG CA C 13 59.34 . . 1 . . . . . . . . 5474 1 117 . 1 1 24 24 ARG CB C 13 28.98 . . 1 . . . . . . . . 5474 1 118 . 1 1 25 25 HIS N N 15 116.22 . . 1 . . . . . . . . 5474 1 119 . 1 1 25 25 HIS H H 1 8.05 . . 1 . . . . . . . . 5474 1 120 . 1 1 25 25 HIS C C 13 176.68 . . 1 . . . . . . . . 5474 1 121 . 1 1 25 25 HIS CA C 13 57.80 . . 1 . . . . . . . . 5474 1 122 . 1 1 25 25 HIS CB C 13 29.69 . . 1 . . . . . . . . 5474 1 123 . 1 1 26 26 GLU N N 15 116.99 . . 1 . . . . . . . . 5474 1 124 . 1 1 26 26 GLU H H 1 7.73 . . 1 . . . . . . . . 5474 1 125 . 1 1 26 26 GLU C C 13 176.59 . . 1 . . . . . . . . 5474 1 126 . 1 1 26 26 GLU CA C 13 55.97 . . 1 . . . . . . . . 5474 1 127 . 1 1 26 26 GLU CB C 13 30.01 . . 1 . . . . . . . . 5474 1 128 . 1 1 27 27 ALA N N 15 122.52 . . 1 . . . . . . . . 5474 1 129 . 1 1 27 27 ALA H H 1 7.34 . . 1 . . . . . . . . 5474 1 130 . 1 1 27 27 ALA C C 13 177.40 . . 1 . . . . . . . . 5474 1 131 . 1 1 27 27 ALA CA C 13 52.37 . . 1 . . . . . . . . 5474 1 132 . 1 1 27 27 ALA CB C 13 18.47 . . 1 . . . . . . . . 5474 1 133 . 1 1 28 28 SER N N 15 116.61 . . 1 . . . . . . . . 5474 1 134 . 1 1 28 28 SER H H 1 7.88 . . 1 . . . . . . . . 5474 1 135 . 1 1 28 28 SER C C 13 172.53 . . 1 . . . . . . . . 5474 1 136 . 1 1 28 28 SER CA C 13 58.91 . . 1 . . . . . . . . 5474 1 137 . 1 1 28 28 SER CB C 13 64.19 . . 1 . . . . . . . . 5474 1 138 . 1 1 29 29 ASP N N 15 121.71 . . 1 . . . . . . . . 5474 1 139 . 1 1 29 29 ASP H H 1 7.99 . . 1 . . . . . . . . 5474 1 140 . 1 1 29 29 ASP C C 13 173.61 . . 1 . . . . . . . . 5474 1 141 . 1 1 29 29 ASP CA C 13 53.13 . . 1 . . . . . . . . 5474 1 142 . 1 1 29 29 ASP CB C 13 42.80 . . 1 . . . . . . . . 5474 1 143 . 1 1 30 30 PHE N N 15 118.84 . . 1 . . . . . . . . 5474 1 144 . 1 1 30 30 PHE H H 1 6.56 . . 1 . . . . . . . . 5474 1 145 . 1 1 30 30 PHE C C 13 173.10 . . 1 . . . . . . . . 5474 1 146 . 1 1 30 30 PHE CA C 13 54.78 . . 1 . . . . . . . . 5474 1 147 . 1 1 30 30 PHE CB C 13 40.28 . . 1 . . . . . . . . 5474 1 148 . 1 1 31 31 PRO C C 13 177.07 . . 1 . . . . . . . . 5474 1 149 . 1 1 31 31 PRO CA C 13 63.77 . . 1 . . . . . . . . 5474 1 150 . 1 1 31 31 PRO CB C 13 31.91 . . 1 . . . . . . . . 5474 1 151 . 1 1 32 32 CYS N N 15 125.42 . . 1 . . . . . . . . 5474 1 152 . 1 1 32 32 CYS H H 1 9.04 . . 1 . . . . . . . . 5474 1 153 . 1 1 32 32 CYS C C 13 174.49 . . 1 . . . . . . . . 5474 1 154 . 1 1 32 32 CYS CA C 13 56.01 . . 1 . . . . . . . . 5474 1 155 . 1 1 32 32 CYS CB C 13 28.25 . . 1 . . . . . . . . 5474 1 156 . 1 1 33 33 ARG N N 15 121.03 . . 1 . . . . . . . . 5474 1 157 . 1 1 33 33 ARG H H 1 9.36 . . 1 . . . . . . . . 5474 1 158 . 1 1 33 33 ARG C C 13 180.97 . . 1 . . . . . . . . 5474 1 159 . 1 1 33 33 ARG CA C 13 59.29 . . 1 . . . . . . . . 5474 1 160 . 1 1 33 33 ARG CB C 13 29.69 . . 1 . . . . . . . . 5474 1 161 . 1 1 34 34 VAL N N 15 121.09 . . 1 . . . . . . . . 5474 1 162 . 1 1 34 34 VAL H H 1 9.59 . . 1 . . . . . . . . 5474 1 163 . 1 1 34 34 VAL C C 13 179.54 . . 1 . . . . . . . . 5474 1 164 . 1 1 34 34 VAL CA C 13 66.56 . . 1 . . . . . . . . 5474 1 165 . 1 1 34 34 VAL CB C 13 30.09 . . 1 . . . . . . . . 5474 1 166 . 1 1 35 35 ALA N N 15 120.87 . . 1 . . . . . . . . 5474 1 167 . 1 1 35 35 ALA H H 1 8.36 . . 1 . . . . . . . . 5474 1 168 . 1 1 35 35 ALA C C 13 178.13 . . 1 . . . . . . . . 5474 1 169 . 1 1 35 35 ALA CA C 13 54.17 . . 1 . . . . . . . . 5474 1 170 . 1 1 35 35 ALA CB C 13 20.18 . . 1 . . . . . . . . 5474 1 171 . 1 1 36 36 LYS N N 15 110.04 . . 1 . . . . . . . . 5474 1 172 . 1 1 36 36 LYS H H 1 6.66 . . 1 . . . . . . . . 5474 1 173 . 1 1 36 36 LYS C C 13 176.78 . . 1 . . . . . . . . 5474 1 174 . 1 1 36 36 LYS CA C 13 54.53 . . 1 . . . . . . . . 5474 1 175 . 1 1 36 36 LYS CB C 13 31.74 . . 1 . . . . . . . . 5474 1 176 . 1 1 37 37 LEU N N 15 123.00 . . 1 . . . . . . . . 5474 1 177 . 1 1 37 37 LEU H H 1 7.38 . . 1 . . . . . . . . 5474 1 178 . 1 1 37 37 LEU C C 13 177.94 . . 1 . . . . . . . . 5474 1 179 . 1 1 37 37 LEU CA C 13 53.57 . . 1 . . . . . . . . 5474 1 180 . 1 1 37 37 LEU CB C 13 40.08 . . 1 . . . . . . . . 5474 1 181 . 1 1 39 39 LYS C C 13 176.00 . . 1 . . . . . . . . 5474 1 182 . 1 1 39 39 LYS CA C 13 57.31 . . 1 . . . . . . . . 5474 1 183 . 1 1 39 39 LYS CB C 13 30.21 . . 1 . . . . . . . . 5474 1 184 . 1 1 40 40 ASN N N 15 116.11 . . 1 . . . . . . . . 5474 1 185 . 1 1 40 40 ASN H H 1 7.63 . . 1 . . . . . . . . 5474 1 186 . 1 1 40 40 ASN C C 13 176.71 . . 1 . . . . . . . . 5474 1 187 . 1 1 40 40 ASN CA C 13 52.45 . . 1 . . . . . . . . 5474 1 188 . 1 1 40 40 ASN CB C 13 38.72 . . 1 . . . . . . . . 5474 1 189 . 1 1 41 41 LYS N N 15 122.89 . . 1 . . . . . . . . 5474 1 190 . 1 1 41 41 LYS H H 1 7.26 . . 1 . . . . . . . . 5474 1 191 . 1 1 41 41 LYS C C 13 179.23 . . 1 . . . . . . . . 5474 1 192 . 1 1 41 41 LYS CA C 13 60.27 . . 1 . . . . . . . . 5474 1 193 . 1 1 41 41 LYS CB C 13 31.74 . . 1 . . . . . . . . 5474 1 194 . 1 1 42 42 ASN C C 13 175.55 . . 1 . . . . . . . . 5474 1 195 . 1 1 42 42 ASN CA C 13 52.55 . . 1 . . . . . . . . 5474 1 196 . 1 1 42 42 ASN CB C 13 36.20 . . 1 . . . . . . . . 5474 1 197 . 1 1 43 43 ARG N N 15 114.77 . . 1 . . . . . . . . 5474 1 198 . 1 1 43 43 ARG H H 1 7.75 . . 1 . . . . . . . . 5474 1 199 . 1 1 43 43 ARG C C 13 176.21 . . 1 . . . . . . . . 5474 1 200 . 1 1 43 43 ARG CA C 13 55.73 . . 1 . . . . . . . . 5474 1 201 . 1 1 43 43 ARG CB C 13 30.49 . . 1 . . . . . . . . 5474 1 202 . 1 1 44 44 ASN N N 15 119.35 . . 1 . . . . . . . . 5474 1 203 . 1 1 44 44 ASN H H 1 7.41 . . 1 . . . . . . . . 5474 1 204 . 1 1 44 44 ASN C C 13 172.93 . . 1 . . . . . . . . 5474 1 205 . 1 1 44 44 ASN CA C 13 52.10 . . 1 . . . . . . . . 5474 1 206 . 1 1 44 44 ASN CB C 13 40.36 . . 1 . . . . . . . . 5474 1 207 . 1 1 45 45 ARG N N 15 125.83 . . 1 . . . . . . . . 5474 1 208 . 1 1 45 45 ARG H H 1 9.10 . . 1 . . . . . . . . 5474 1 209 . 1 1 45 45 ARG C C 13 174.82 . . 1 . . . . . . . . 5474 1 210 . 1 1 45 45 ARG CA C 13 58.53 . . 1 . . . . . . . . 5474 1 211 . 1 1 45 45 ARG CB C 13 29.90 . . 1 . . . . . . . . 5474 1 212 . 1 1 46 46 TYR N N 15 116.19 . . 1 . . . . . . . . 5474 1 213 . 1 1 46 46 TYR H H 1 9.43 . . 1 . . . . . . . . 5474 1 214 . 1 1 46 46 TYR C C 13 177.20 . . 1 . . . . . . . . 5474 1 215 . 1 1 46 46 TYR CA C 13 54.73 . . 1 . . . . . . . . 5474 1 216 . 1 1 46 46 TYR CB C 13 40.41 . . 1 . . . . . . . . 5474 1 217 . 1 1 47 47 ARG N N 15 120.80 . . 1 . . . . . . . . 5474 1 218 . 1 1 47 47 ARG H H 1 9.00 . . 1 . . . . . . . . 5474 1 219 . 1 1 47 47 ARG C C 13 175.68 . . 1 . . . . . . . . 5474 1 220 . 1 1 47 47 ARG CA C 13 56.80 . . 1 . . . . . . . . 5474 1 221 . 1 1 47 47 ARG CB C 13 29.41 . . 1 . . . . . . . . 5474 1 222 . 1 1 48 48 ASP N N 15 114.33 . . 1 . . . . . . . . 5474 1 223 . 1 1 48 48 ASP H H 1 9.10 . . 1 . . . . . . . . 5474 1 224 . 1 1 48 48 ASP C C 13 175.24 . . 1 . . . . . . . . 5474 1 225 . 1 1 48 48 ASP CA C 13 51.95 . . 1 . . . . . . . . 5474 1 226 . 1 1 48 48 ASP CB C 13 39.37 . . 1 . . . . . . . . 5474 1 227 . 1 1 49 49 VAL N N 15 117.56 . . 1 . . . . . . . . 5474 1 228 . 1 1 49 49 VAL H H 1 6.64 . . 1 . . . . . . . . 5474 1 229 . 1 1 49 49 VAL C C 13 175.41 . . 1 . . . . . . . . 5474 1 230 . 1 1 49 49 VAL CA C 13 62.13 . . 1 . . . . . . . . 5474 1 231 . 1 1 49 49 VAL CB C 13 32.74 . . 1 . . . . . . . . 5474 1 232 . 1 1 50 50 SER N N 15 122.00 . . 1 . . . . . . . . 5474 1 233 . 1 1 50 50 SER H H 1 7.55 . . 1 . . . . . . . . 5474 1 234 . 1 1 50 50 SER C C 13 170.50 . . 1 . . . . . . . . 5474 1 235 . 1 1 50 50 SER CA C 13 55.26 . . 1 . . . . . . . . 5474 1 236 . 1 1 50 50 SER CB C 13 64.44 . . 1 . . . . . . . . 5474 1 237 . 1 1 51 51 PRO C C 13 175.75 . . 1 . . . . . . . . 5474 1 238 . 1 1 51 51 PRO CA C 13 61.33 . . 1 . . . . . . . . 5474 1 239 . 1 1 51 51 PRO CB C 13 31.29 . . 1 . . . . . . . . 5474 1 240 . 1 1 52 52 PHE N N 15 123.49 . . 1 . . . . . . . . 5474 1 241 . 1 1 52 52 PHE H H 1 6.93 . . 1 . . . . . . . . 5474 1 242 . 1 1 52 52 PHE C C 13 178.15 . . 1 . . . . . . . . 5474 1 243 . 1 1 52 52 PHE CA C 13 55.02 . . 1 . . . . . . . . 5474 1 244 . 1 1 52 52 PHE CB C 13 38.50 . . 1 . . . . . . . . 5474 1 245 . 1 1 53 53 ASP N N 15 123.79 . . 1 . . . . . . . . 5474 1 246 . 1 1 53 53 ASP H H 1 9.22 . . 1 . . . . . . . . 5474 1 247 . 1 1 53 53 ASP C C 13 180.19 . . 1 . . . . . . . . 5474 1 248 . 1 1 53 53 ASP CA C 13 58.48 . . 1 . . . . . . . . 5474 1 249 . 1 1 53 53 ASP CB C 13 40.03 . . 1 . . . . . . . . 5474 1 250 . 1 1 54 54 HIS N N 15 114.70 . . 1 . . . . . . . . 5474 1 251 . 1 1 54 54 HIS H H 1 8.90 . . 1 . . . . . . . . 5474 1 252 . 1 1 54 54 HIS C C 13 175.81 . . 1 . . . . . . . . 5474 1 253 . 1 1 54 54 HIS CA C 13 58.76 . . 1 . . . . . . . . 5474 1 254 . 1 1 54 54 HIS CB C 13 29.68 . . 1 . . . . . . . . 5474 1 255 . 1 1 55 55 SER N N 15 107.55 . . 1 . . . . . . . . 5474 1 256 . 1 1 55 55 SER H H 1 6.24 . . 1 . . . . . . . . 5474 1 257 . 1 1 55 55 SER C C 13 174.11 . . 1 . . . . . . . . 5474 1 258 . 1 1 55 55 SER CA C 13 55.10 . . 1 . . . . . . . . 5474 1 259 . 1 1 55 55 SER CB C 13 63.09 . . 1 . . . . . . . . 5474 1 260 . 1 1 56 56 ARG N N 15 122.35 . . 1 . . . . . . . . 5474 1 261 . 1 1 56 56 ARG H H 1 7.12 . . 1 . . . . . . . . 5474 1 262 . 1 1 56 56 ARG C C 13 175.57 . . 1 . . . . . . . . 5474 1 263 . 1 1 56 56 ARG CA C 13 55.24 . . 1 . . . . . . . . 5474 1 264 . 1 1 56 56 ARG CB C 13 27.65 . . 1 . . . . . . . . 5474 1 265 . 1 1 57 57 ILE N N 15 121.61 . . 1 . . . . . . . . 5474 1 266 . 1 1 57 57 ILE H H 1 7.08 . . 1 . . . . . . . . 5474 1 267 . 1 1 57 57 ILE C C 13 175.08 . . 1 . . . . . . . . 5474 1 268 . 1 1 57 57 ILE CA C 13 56.79 . . 1 . . . . . . . . 5474 1 269 . 1 1 57 57 ILE CB C 13 35.42 . . 1 . . . . . . . . 5474 1 270 . 1 1 58 58 LYS N N 15 126.35 . . 1 . . . . . . . . 5474 1 271 . 1 1 58 58 LYS H H 1 8.36 . . 1 . . . . . . . . 5474 1 272 . 1 1 58 58 LYS C C 13 177.75 . . 1 . . . . . . . . 5474 1 273 . 1 1 58 58 LYS CA C 13 54.57 . . 1 . . . . . . . . 5474 1 274 . 1 1 58 58 LYS CB C 13 32.14 . . 1 . . . . . . . . 5474 1 275 . 1 1 59 59 LEU N N 15 124.62 . . 1 . . . . . . . . 5474 1 276 . 1 1 59 59 LEU H H 1 9.15 . . 1 . . . . . . . . 5474 1 277 . 1 1 59 59 LEU C C 13 178.97 . . 1 . . . . . . . . 5474 1 278 . 1 1 59 59 LEU CA C 13 53.58 . . 1 . . . . . . . . 5474 1 279 . 1 1 59 59 LEU CB C 13 41.44 . . 1 . . . . . . . . 5474 1 280 . 1 1 60 60 HIS N N 15 123.59 . . 1 . . . . . . . . 5474 1 281 . 1 1 60 60 HIS H H 1 9.40 . . 1 . . . . . . . . 5474 1 282 . 1 1 60 60 HIS C C 13 174.72 . . 1 . . . . . . . . 5474 1 283 . 1 1 60 60 HIS CA C 13 53.60 . . 1 . . . . . . . . 5474 1 284 . 1 1 60 60 HIS CB C 13 27.19 . . 1 . . . . . . . . 5474 1 285 . 1 1 61 61 GLN N N 15 119.02 . . 1 . . . . . . . . 5474 1 286 . 1 1 61 61 GLN H H 1 7.31 . . 1 . . . . . . . . 5474 1 287 . 1 1 61 61 GLN C C 13 175.67 . . 1 . . . . . . . . 5474 1 288 . 1 1 61 61 GLN CA C 13 54.10 . . 1 . . . . . . . . 5474 1 289 . 1 1 61 61 GLN CB C 13 30.77 . . 1 . . . . . . . . 5474 1 290 . 1 1 62 62 GLU N N 15 120.66 . . 1 . . . . . . . . 5474 1 291 . 1 1 62 62 GLU H H 1 8.36 . . 1 . . . . . . . . 5474 1 292 . 1 1 62 62 GLU C C 13 177.53 . . 1 . . . . . . . . 5474 1 293 . 1 1 62 62 GLU CA C 13 57.50 . . 1 . . . . . . . . 5474 1 294 . 1 1 62 62 GLU CB C 13 29.66 . . 1 . . . . . . . . 5474 1 295 . 1 1 63 63 ASP N N 15 117.76 . . 1 . . . . . . . . 5474 1 296 . 1 1 63 63 ASP H H 1 8.25 . . 1 . . . . . . . . 5474 1 297 . 1 1 63 63 ASP C C 13 176.64 . . 1 . . . . . . . . 5474 1 298 . 1 1 63 63 ASP CA C 13 56.10 . . 1 . . . . . . . . 5474 1 299 . 1 1 63 63 ASP CB C 13 40.34 . . 1 . . . . . . . . 5474 1 300 . 1 1 64 64 ASN N N 15 113.31 . . 1 . . . . . . . . 5474 1 301 . 1 1 64 64 ASN H H 1 7.31 . . 1 . . . . . . . . 5474 1 302 . 1 1 64 64 ASN C C 13 174.44 . . 1 . . . . . . . . 5474 1 303 . 1 1 64 64 ASN CA C 13 53.05 . . 1 . . . . . . . . 5474 1 304 . 1 1 64 64 ASN CB C 13 37.45 . . 1 . . . . . . . . 5474 1 305 . 1 1 65 65 ASP N N 15 125.24 . . 1 . . . . . . . . 5474 1 306 . 1 1 65 65 ASP H H 1 8.03 . . 1 . . . . . . . . 5474 1 307 . 1 1 65 65 ASP C C 13 178.37 . . 1 . . . . . . . . 5474 1 308 . 1 1 65 65 ASP CA C 13 52.68 . . 1 . . . . . . . . 5474 1 309 . 1 1 65 65 ASP CB C 13 41.16 . . 1 . . . . . . . . 5474 1 310 . 1 1 66 66 TYR N N 15 117.93 . . 1 . . . . . . . . 5474 1 311 . 1 1 66 66 TYR H H 1 7.90 . . 1 . . . . . . . . 5474 1 312 . 1 1 66 66 TYR C C 13 174.98 . . 1 . . . . . . . . 5474 1 313 . 1 1 66 66 TYR CA C 13 60.51 . . 1 . . . . . . . . 5474 1 314 . 1 1 66 66 TYR CB C 13 38.46 . . 1 . . . . . . . . 5474 1 315 . 1 1 67 67 ILE N N 15 124.53 . . 1 . . . . . . . . 5474 1 316 . 1 1 67 67 ILE H H 1 7.55 . . 1 . . . . . . . . 5474 1 317 . 1 1 67 67 ILE C C 13 172.77 . . 1 . . . . . . . . 5474 1 318 . 1 1 67 67 ILE CA C 13 58.33 . . 1 . . . . . . . . 5474 1 319 . 1 1 67 67 ILE CB C 13 41.00 . . 1 . . . . . . . . 5474 1 320 . 1 1 68 68 ASN N N 15 124.84 . . 1 . . . . . . . . 5474 1 321 . 1 1 68 68 ASN H H 1 8.03 . . 1 . . . . . . . . 5474 1 322 . 1 1 68 68 ASN C C 13 172.99 . . 1 . . . . . . . . 5474 1 323 . 1 1 68 68 ASN CA C 13 52.06 . . 1 . . . . . . . . 5474 1 324 . 1 1 68 68 ASN CB C 13 35.50 . . 1 . . . . . . . . 5474 1 325 . 1 1 69 69 ALA N N 15 128.10 . . 1 . . . . . . . . 5474 1 326 . 1 1 69 69 ALA H H 1 7.62 . . 1 . . . . . . . . 5474 1 327 . 1 1 69 69 ALA C C 13 175.43 . . 1 . . . . . . . . 5474 1 328 . 1 1 69 69 ALA CA C 13 51.27 . . 1 . . . . . . . . 5474 1 329 . 1 1 69 69 ALA CB C 13 22.28 . . 1 . . . . . . . . 5474 1 330 . 1 1 70 70 SER N N 15 116.20 . . 1 . . . . . . . . 5474 1 331 . 1 1 70 70 SER H H 1 8.97 . . 1 . . . . . . . . 5474 1 332 . 1 1 70 70 SER C C 13 170.86 . . 1 . . . . . . . . 5474 1 333 . 1 1 70 70 SER CA C 13 57.10 . . 1 . . . . . . . . 5474 1 334 . 1 1 70 70 SER CB C 13 66.55 . . 1 . . . . . . . . 5474 1 335 . 1 1 71 71 LEU N N 15 125.92 . . 1 . . . . . . . . 5474 1 336 . 1 1 71 71 LEU H H 1 8.85 . . 1 . . . . . . . . 5474 1 337 . 1 1 71 71 LEU C C 13 175.03 . . 1 . . . . . . . . 5474 1 338 . 1 1 71 71 LEU CA C 13 53.55 . . 1 . . . . . . . . 5474 1 339 . 1 1 71 71 LEU CB C 13 41.32 . . 1 . . . . . . . . 5474 1 340 . 1 1 72 72 ILE N N 15 128.01 . . 1 . . . . . . . . 5474 1 341 . 1 1 72 72 ILE H H 1 9.38 . . 1 . . . . . . . . 5474 1 342 . 1 1 72 72 ILE C C 13 173.81 . . 1 . . . . . . . . 5474 1 343 . 1 1 72 72 ILE CA C 13 59.96 . . 1 . . . . . . . . 5474 1 344 . 1 1 72 72 ILE CB C 13 36.20 . . 1 . . . . . . . . 5474 1 345 . 1 1 73 73 LYS C C 13 174.05 . . 1 . . . . . . . . 5474 1 346 . 1 1 73 73 LYS CA C 13 54.53 . . 1 . . . . . . . . 5474 1 347 . 1 1 73 73 LYS CB C 13 32.67 . . 1 . . . . . . . . 5474 1 348 . 1 1 74 74 MET N N 15 123.41 . . 1 . . . . . . . . 5474 1 349 . 1 1 74 74 MET H H 1 8.07 . . 1 . . . . . . . . 5474 1 350 . 1 1 74 74 MET C C 13 176.93 . . 1 . . . . . . . . 5474 1 351 . 1 1 74 74 MET CA C 13 51.76 . . 1 . . . . . . . . 5474 1 352 . 1 1 74 74 MET CB C 13 28.64 . . 1 . . . . . . . . 5474 1 353 . 1 1 75 75 GLU N N 15 125.47 . . 1 . . . . . . . . 5474 1 354 . 1 1 75 75 GLU H H 1 8.29 . . 1 . . . . . . . . 5474 1 355 . 1 1 75 75 GLU C C 13 179.22 . . 1 . . . . . . . . 5474 1 356 . 1 1 75 75 GLU CA C 13 59.86 . . 1 . . . . . . . . 5474 1 357 . 1 1 75 75 GLU CB C 13 28.84 . . 1 . . . . . . . . 5474 1 358 . 1 1 76 76 GLU C C 13 177.84 . . 1 . . . . . . . . 5474 1 359 . 1 1 76 76 GLU CA C 13 58.55 . . 1 . . . . . . . . 5474 1 360 . 1 1 76 76 GLU CB C 13 28.24 . . 1 . . . . . . . . 5474 1 361 . 1 1 77 77 ALA N N 15 116.80 . . 1 . . . . . . . . 5474 1 362 . 1 1 77 77 ALA H H 1 7.36 . . 1 . . . . . . . . 5474 1 363 . 1 1 77 77 ALA C C 13 174.78 . . 1 . . . . . . . . 5474 1 364 . 1 1 77 77 ALA CA C 13 52.29 . . 1 . . . . . . . . 5474 1 365 . 1 1 77 77 ALA CB C 13 18.28 . . 1 . . . . . . . . 5474 1 366 . 1 1 78 78 GLN N N 15 110.64 . . 1 . . . . . . . . 5474 1 367 . 1 1 78 78 GLN H H 1 7.58 . . 1 . . . . . . . . 5474 1 368 . 1 1 78 78 GLN C C 13 174.31 . . 1 . . . . . . . . 5474 1 369 . 1 1 78 78 GLN CA C 13 55.81 . . 1 . . . . . . . . 5474 1 370 . 1 1 78 78 GLN CB C 13 25.47 . . 1 . . . . . . . . 5474 1 371 . 1 1 79 79 ARG N N 15 117.59 . . 1 . . . . . . . . 5474 1 372 . 1 1 79 79 ARG H H 1 7.14 . . 1 . . . . . . . . 5474 1 373 . 1 1 79 79 ARG C C 13 173.75 . . 1 . . . . . . . . 5474 1 374 . 1 1 79 79 ARG CA C 13 54.81 . . 1 . . . . . . . . 5474 1 375 . 1 1 79 79 ARG CB C 13 33.65 . . 1 . . . . . . . . 5474 1 376 . 1 1 80 80 SER N N 15 118.78 . . 1 . . . . . . . . 5474 1 377 . 1 1 80 80 SER H H 1 7.64 . . 1 . . . . . . . . 5474 1 378 . 1 1 80 80 SER C C 13 170.40 . . 1 . . . . . . . . 5474 1 379 . 1 1 80 80 SER CA C 13 56.03 . . 1 . . . . . . . . 5474 1 380 . 1 1 80 80 SER CB C 13 65.71 . . 1 . . . . . . . . 5474 1 381 . 1 1 81 81 TYR N N 15 116.27 . . 1 . . . . . . . . 5474 1 382 . 1 1 81 81 TYR H H 1 8.45 . . 1 . . . . . . . . 5474 1 383 . 1 1 81 81 TYR C C 13 174.97 . . 1 . . . . . . . . 5474 1 384 . 1 1 81 81 TYR CA C 13 54.79 . . 1 . . . . . . . . 5474 1 385 . 1 1 81 81 TYR CB C 13 43.01 . . 1 . . . . . . . . 5474 1 386 . 1 1 82 82 ILE N N 15 122.24 . . 1 . . . . . . . . 5474 1 387 . 1 1 82 82 ILE H H 1 9.26 . . 1 . . . . . . . . 5474 1 388 . 1 1 82 82 ILE C C 13 174.02 . . 1 . . . . . . . . 5474 1 389 . 1 1 82 82 ILE CA C 13 59.97 . . 1 . . . . . . . . 5474 1 390 . 1 1 82 82 ILE CB C 13 38.18 . . 1 . . . . . . . . 5474 1 391 . 1 1 83 83 LEU N N 15 128.34 . . 1 . . . . . . . . 5474 1 392 . 1 1 83 83 LEU H H 1 8.54 . . 1 . . . . . . . . 5474 1 393 . 1 1 83 83 LEU C C 13 176.86 . . 1 . . . . . . . . 5474 1 394 . 1 1 83 83 LEU CA C 13 53.64 . . 1 . . . . . . . . 5474 1 395 . 1 1 83 83 LEU CB C 13 43.16 . . 1 . . . . . . . . 5474 1 396 . 1 1 84 84 THR N N 15 115.21 . . 1 . . . . . . . . 5474 1 397 . 1 1 84 84 THR H H 1 8.40 . . 1 . . . . . . . . 5474 1 398 . 1 1 84 84 THR C C 13 169.61 . . 1 . . . . . . . . 5474 1 399 . 1 1 84 84 THR CA C 13 57.16 . . 1 . . . . . . . . 5474 1 400 . 1 1 84 84 THR CB C 13 71.24 . . 1 . . . . . . . . 5474 1 401 . 1 1 85 85 GLN N N 15 115.49 . . 1 . . . . . . . . 5474 1 402 . 1 1 85 85 GLN H H 1 6.24 . . 1 . . . . . . . . 5474 1 403 . 1 1 85 85 GLN C C 13 175.03 . . 1 . . . . . . . . 5474 1 404 . 1 1 85 85 GLN CA C 13 51.98 . . 1 . . . . . . . . 5474 1 405 . 1 1 85 85 GLN CB C 13 27.90 . . 1 . . . . . . . . 5474 1 406 . 1 1 86 86 GLY N N 15 112.05 . . 1 . . . . . . . . 5474 1 407 . 1 1 86 86 GLY H H 1 8.80 . . 1 . . . . . . . . 5474 1 408 . 1 1 86 86 GLY C C 13 173.31 . . 1 . . . . . . . . 5474 1 409 . 1 1 86 86 GLY CA C 13 44.58 . . 1 . . . . . . . . 5474 1 410 . 1 1 87 87 PRO C C 13 175.59 . . 1 . . . . . . . . 5474 1 411 . 1 1 87 87 PRO CA C 13 63.44 . . 1 . . . . . . . . 5474 1 412 . 1 1 87 87 PRO CB C 13 31.47 . . 1 . . . . . . . . 5474 1 413 . 1 1 88 88 LEU N N 15 122.42 . . 1 . . . . . . . . 5474 1 414 . 1 1 88 88 LEU H H 1 7.73 . . 1 . . . . . . . . 5474 1 415 . 1 1 88 88 LEU C C 13 176.58 . . 1 . . . . . . . . 5474 1 416 . 1 1 88 88 LEU CA C 13 52.71 . . 1 . . . . . . . . 5474 1 417 . 1 1 88 88 LEU CB C 13 41.42 . . 1 . . . . . . . . 5474 1 418 . 1 1 89 89 PRO C C 13 177.04 . . 1 . . . . . . . . 5474 1 419 . 1 1 89 89 PRO CA C 13 65.65 . . 1 . . . . . . . . 5474 1 420 . 1 1 89 89 PRO CB C 13 30.52 . . 1 . . . . . . . . 5474 1 421 . 1 1 90 90 ASN N N 15 106.15 . . 1 . . . . . . . . 5474 1 422 . 1 1 90 90 ASN H H 1 8.45 . . 1 . . . . . . . . 5474 1 423 . 1 1 90 90 ASN C C 13 176.27 . . 1 . . . . . . . . 5474 1 424 . 1 1 90 90 ASN CA C 13 53.45 . . 1 . . . . . . . . 5474 1 425 . 1 1 90 90 ASN CB C 13 36.65 . . 1 . . . . . . . . 5474 1 426 . 1 1 91 91 THR N N 15 111.00 . . 1 . . . . . . . . 5474 1 427 . 1 1 91 91 THR H H 1 7.98 . . 1 . . . . . . . . 5474 1 428 . 1 1 91 91 THR C C 13 174.65 . . 1 . . . . . . . . 5474 1 429 . 1 1 91 91 THR CA C 13 60.22 . . 1 . . . . . . . . 5474 1 430 . 1 1 91 91 THR CB C 13 68.90 . . 1 . . . . . . . . 5474 1 431 . 1 1 92 92 CYS N N 15 120.62 . . 1 . . . . . . . . 5474 1 432 . 1 1 92 92 CYS H H 1 7.44 . . 1 . . . . . . . . 5474 1 433 . 1 1 92 92 CYS C C 13 175.71 . . 1 . . . . . . . . 5474 1 434 . 1 1 92 92 CYS CA C 13 63.59 . . 1 . . . . . . . . 5474 1 435 . 1 1 92 92 CYS CB C 13 27.69 . . 1 . . . . . . . . 5474 1 436 . 1 1 93 93 GLY N N 15 107.82 . . 1 . . . . . . . . 5474 1 437 . 1 1 93 93 GLY H H 1 8.19 . . 1 . . . . . . . . 5474 1 438 . 1 1 93 93 GLY C C 13 178.06 . . 1 . . . . . . . . 5474 1 439 . 1 1 93 93 GLY CA C 13 47.21 . . 1 . . . . . . . . 5474 1 440 . 1 1 94 94 HIS N N 15 123.07 . . 1 . . . . . . . . 5474 1 441 . 1 1 94 94 HIS H H 1 7.34 . . 1 . . . . . . . . 5474 1 442 . 1 1 94 94 HIS C C 13 176.56 . . 1 . . . . . . . . 5474 1 443 . 1 1 94 94 HIS CA C 13 56.52 . . 1 . . . . . . . . 5474 1 444 . 1 1 94 94 HIS CB C 13 31.86 . . 1 . . . . . . . . 5474 1 445 . 1 1 95 95 PHE N N 15 118.68 . . 1 . . . . . . . . 5474 1 446 . 1 1 95 95 PHE H H 1 8.15 . . 1 . . . . . . . . 5474 1 447 . 1 1 95 95 PHE C C 13 175.71 . . 1 . . . . . . . . 5474 1 448 . 1 1 95 95 PHE CA C 13 61.62 . . 1 . . . . . . . . 5474 1 449 . 1 1 95 95 PHE CB C 13 37.51 . . 1 . . . . . . . . 5474 1 450 . 1 1 96 96 TRP N N 15 117.10 . . 1 . . . . . . . . 5474 1 451 . 1 1 96 96 TRP H H 1 8.17 . . 1 . . . . . . . . 5474 1 452 . 1 1 96 96 TRP C C 13 177.37 . . 1 . . . . . . . . 5474 1 453 . 1 1 96 96 TRP CA C 13 54.55 . . 1 . . . . . . . . 5474 1 454 . 1 1 96 96 TRP CB C 13 29.66 . . 1 . . . . . . . . 5474 1 455 . 1 1 104 104 SER C C 13 172.73 . . 1 . . . . . . . . 5474 1 456 . 1 1 104 104 SER CA C 13 60.88 . . 1 . . . . . . . . 5474 1 457 . 1 1 104 104 SER CB C 13 63.03 . . 1 . . . . . . . . 5474 1 458 . 1 1 105 105 ARG N N 15 122.70 . . 1 . . . . . . . . 5474 1 459 . 1 1 105 105 ARG H H 1 9.34 . . 1 . . . . . . . . 5474 1 460 . 1 1 105 105 ARG C C 13 174.21 . . 1 . . . . . . . . 5474 1 461 . 1 1 105 105 ARG CA C 13 54.50 . . 1 . . . . . . . . 5474 1 462 . 1 1 105 105 ARG CB C 13 31.37 . . 1 . . . . . . . . 5474 1 463 . 1 1 106 106 GLY N N 15 102.02 . . 1 . . . . . . . . 5474 1 464 . 1 1 106 106 GLY H H 1 7.17 . . 1 . . . . . . . . 5474 1 465 . 1 1 106 106 GLY CA C 13 43.20 . . 1 . . . . . . . . 5474 1 466 . 1 1 121 121 CYS C C 13 172.28 . . 1 . . . . . . . . 5474 1 467 . 1 1 121 121 CYS CA C 13 58.47 . . 1 . . . . . . . . 5474 1 468 . 1 1 122 122 ALA N N 15 126.17 . . 1 . . . . . . . . 5474 1 469 . 1 1 122 122 ALA H H 1 7.80 . . 1 . . . . . . . . 5474 1 470 . 1 1 122 122 ALA C C 13 176.41 . . 1 . . . . . . . . 5474 1 471 . 1 1 122 122 ALA CA C 13 51.66 . . 1 . . . . . . . . 5474 1 472 . 1 1 122 122 ALA CB C 13 18.29 . . 1 . . . . . . . . 5474 1 473 . 1 1 123 123 GLN N N 15 119.97 . . 1 . . . . . . . . 5474 1 474 . 1 1 123 123 GLN H H 1 8.32 . . 1 . . . . . . . . 5474 1 475 . 1 1 123 123 GLN C C 13 174.53 . . 1 . . . . . . . . 5474 1 476 . 1 1 123 123 GLN CA C 13 54.99 . . 1 . . . . . . . . 5474 1 477 . 1 1 123 123 GLN CB C 13 25.80 . . 1 . . . . . . . . 5474 1 478 . 1 1 124 124 TYR N N 15 121.46 . . 1 . . . . . . . . 5474 1 479 . 1 1 124 124 TYR H H 1 6.51 . . 1 . . . . . . . . 5474 1 480 . 1 1 124 124 TYR C C 13 171.12 . . 1 . . . . . . . . 5474 1 481 . 1 1 124 124 TYR CA C 13 55.98 . . 1 . . . . . . . . 5474 1 482 . 1 1 125 125 TRP N N 15 119.42 . . 1 . . . . . . . . 5474 1 483 . 1 1 125 125 TRP H H 1 6.47 . . 1 . . . . . . . . 5474 1 484 . 1 1 125 125 TRP C C 13 171.93 . . 1 . . . . . . . . 5474 1 485 . 1 1 125 125 TRP CA C 13 54.94 . . 1 . . . . . . . . 5474 1 486 . 1 1 125 125 TRP CB C 13 30.51 . . 1 . . . . . . . . 5474 1 487 . 1 1 132 132 GLU C C 13 175.04 . . 1 . . . . . . . . 5474 1 488 . 1 1 132 132 GLU CA C 13 53.63 . . 1 . . . . . . . . 5474 1 489 . 1 1 132 132 GLU CB C 13 32.41 . . 1 . . . . . . . . 5474 1 490 . 1 1 133 133 MET N N 15 120.36 . . 1 . . . . . . . . 5474 1 491 . 1 1 133 133 MET H H 1 8.78 . . 1 . . . . . . . . 5474 1 492 . 1 1 133 133 MET C C 13 172.71 . . 1 . . . . . . . . 5474 1 493 . 1 1 133 133 MET CA C 13 54.77 . . 1 . . . . . . . . 5474 1 494 . 1 1 133 133 MET CB C 13 37.73 . . 1 . . . . . . . . 5474 1 495 . 1 1 134 134 ILE N N 15 121.41 . . 1 . . . . . . . . 5474 1 496 . 1 1 134 134 ILE H H 1 8.09 . . 1 . . . . . . . . 5474 1 497 . 1 1 134 134 ILE C C 13 174.87 . . 1 . . . . . . . . 5474 1 498 . 1 1 134 134 ILE CA C 13 59.55 . . 1 . . . . . . . . 5474 1 499 . 1 1 134 134 ILE CB C 13 39.25 . . 1 . . . . . . . . 5474 1 500 . 1 1 135 135 PHE N N 15 127.10 . . 1 . . . . . . . . 5474 1 501 . 1 1 135 135 PHE H H 1 8.83 . . 1 . . . . . . . . 5474 1 502 . 1 1 135 135 PHE C C 13 176.00 . . 1 . . . . . . . . 5474 1 503 . 1 1 135 135 PHE CA C 13 56.20 . . 1 . . . . . . . . 5474 1 504 . 1 1 135 135 PHE CB C 13 37.14 . . 1 . . . . . . . . 5474 1 505 . 1 1 136 136 GLU N N 15 123.47 . . 1 . . . . . . . . 5474 1 506 . 1 1 136 136 GLU H H 1 8.89 . . 1 . . . . . . . . 5474 1 507 . 1 1 136 136 GLU C C 13 177.57 . . 1 . . . . . . . . 5474 1 508 . 1 1 136 136 GLU CA C 13 58.68 . . 1 . . . . . . . . 5474 1 509 . 1 1 136 136 GLU CB C 13 29.03 . . 1 . . . . . . . . 5474 1 510 . 1 1 137 137 ASP N N 15 115.71 . . 1 . . . . . . . . 5474 1 511 . 1 1 137 137 ASP H H 1 8.99 . . 1 . . . . . . . . 5474 1 512 . 1 1 137 137 ASP C C 13 178.31 . . 1 . . . . . . . . 5474 1 513 . 1 1 137 137 ASP CA C 13 55.38 . . 1 . . . . . . . . 5474 1 514 . 1 1 137 137 ASP CB C 13 37.93 . . 1 . . . . . . . . 5474 1 515 . 1 1 138 138 THR N N 15 107.37 . . 1 . . . . . . . . 5474 1 516 . 1 1 138 138 THR H H 1 7.37 . . 1 . . . . . . . . 5474 1 517 . 1 1 138 138 THR C C 13 173.84 . . 1 . . . . . . . . 5474 1 518 . 1 1 138 138 THR CA C 13 60.05 . . 1 . . . . . . . . 5474 1 519 . 1 1 138 138 THR CB C 13 68.27 . . 1 . . . . . . . . 5474 1 520 . 1 1 139 139 ASN N N 15 120.39 . . 1 . . . . . . . . 5474 1 521 . 1 1 139 139 ASN H H 1 7.89 . . 1 . . . . . . . . 5474 1 522 . 1 1 139 139 ASN C C 13 172.89 . . 1 . . . . . . . . 5474 1 523 . 1 1 139 139 ASN CA C 13 53.22 . . 1 . . . . . . . . 5474 1 524 . 1 1 139 139 ASN CB C 13 37.21 . . 1 . . . . . . . . 5474 1 525 . 1 1 140 140 LEU N N 15 116.38 . . 1 . . . . . . . . 5474 1 526 . 1 1 140 140 LEU H H 1 7.33 . . 1 . . . . . . . . 5474 1 527 . 1 1 140 140 LEU C C 13 173.98 . . 1 . . . . . . . . 5474 1 528 . 1 1 140 140 LEU CA C 13 53.12 . . 1 . . . . . . . . 5474 1 529 . 1 1 141 141 LYS C C 13 173.00 . . 1 . . . . . . . . 5474 1 530 . 1 1 141 141 LYS CA C 13 53.84 . . 1 . . . . . . . . 5474 1 531 . 1 1 142 142 LEU N N 15 128.93 . . 1 . . . . . . . . 5474 1 532 . 1 1 142 142 LEU H H 1 9.06 . . 1 . . . . . . . . 5474 1 533 . 1 1 142 142 LEU CA C 13 52.09 . . 1 . . . . . . . . 5474 1 534 . 1 1 143 143 THR C C 13 174.14 . . 1 . . . . . . . . 5474 1 535 . 1 1 143 143 THR CA C 13 60.93 . . 1 . . . . . . . . 5474 1 536 . 1 1 143 143 THR CB C 13 70.69 . . 1 . . . . . . . . 5474 1 537 . 1 1 144 144 LEU N N 15 127.19 . . 1 . . . . . . . . 5474 1 538 . 1 1 144 144 LEU H H 1 8.88 . . 1 . . . . . . . . 5474 1 539 . 1 1 144 144 LEU C C 13 174.41 . . 1 . . . . . . . . 5474 1 540 . 1 1 144 144 LEU CA C 13 54.86 . . 1 . . . . . . . . 5474 1 541 . 1 1 144 144 LEU CB C 13 42.05 . . 1 . . . . . . . . 5474 1 542 . 1 1 145 145 ILE N N 15 128.87 . . 1 . . . . . . . . 5474 1 543 . 1 1 145 145 ILE H H 1 8.81 . . 1 . . . . . . . . 5474 1 544 . 1 1 145 145 ILE C C 13 176.81 . . 1 . . . . . . . . 5474 1 545 . 1 1 145 145 ILE CA C 13 60.65 . . 1 . . . . . . . . 5474 1 546 . 1 1 145 145 ILE CB C 13 35.82 . . 1 . . . . . . . . 5474 1 547 . 1 1 146 146 SER N N 15 110.67 . . 1 . . . . . . . . 5474 1 548 . 1 1 146 146 SER H H 1 7.73 . . 1 . . . . . . . . 5474 1 549 . 1 1 146 146 SER C C 13 172.05 . . 1 . . . . . . . . 5474 1 550 . 1 1 146 146 SER CA C 13 57.38 . . 1 . . . . . . . . 5474 1 551 . 1 1 146 146 SER CB C 13 64.91 . . 1 . . . . . . . . 5474 1 552 . 1 1 147 147 GLU N N 15 119.51 . . 1 . . . . . . . . 5474 1 553 . 1 1 147 147 GLU H H 1 8.51 . . 1 . . . . . . . . 5474 1 554 . 1 1 147 147 GLU C C 13 173.23 . . 1 . . . . . . . . 5474 1 555 . 1 1 147 147 GLU CA C 13 55.39 . . 1 . . . . . . . . 5474 1 556 . 1 1 147 147 GLU CB C 13 33.62 . . 1 . . . . . . . . 5474 1 557 . 1 1 148 148 ASP N N 15 126.19 . . 1 . . . . . . . . 5474 1 558 . 1 1 148 148 ASP H H 1 8.78 . . 1 . . . . . . . . 5474 1 559 . 1 1 148 148 ASP C C 13 174.37 . . 1 . . . . . . . . 5474 1 560 . 1 1 148 148 ASP CA C 13 52.82 . . 1 . . . . . . . . 5474 1 561 . 1 1 148 148 ASP CB C 13 41.44 . . 1 . . . . . . . . 5474 1 562 . 1 1 149 149 ILE N N 15 126.28 . . 1 . . . . . . . . 5474 1 563 . 1 1 149 149 ILE H H 1 8.46 . . 1 . . . . . . . . 5474 1 564 . 1 1 149 149 ILE C C 13 176.05 . . 1 . . . . . . . . 5474 1 565 . 1 1 149 149 ILE CA C 13 61.68 . . 1 . . . . . . . . 5474 1 566 . 1 1 149 149 ILE CB C 13 38.06 . . 1 . . . . . . . . 5474 1 567 . 1 1 150 150 LYS N N 15 128.24 . . 1 . . . . . . . . 5474 1 568 . 1 1 150 150 LYS H H 1 8.11 . . 1 . . . . . . . . 5474 1 569 . 1 1 150 150 LYS C C 13 177.63 . . 1 . . . . . . . . 5474 1 570 . 1 1 150 150 LYS CA C 13 53.00 . . 1 . . . . . . . . 5474 1 571 . 1 1 150 150 LYS CB C 13 31.61 . . 1 . . . . . . . . 5474 1 572 . 1 1 151 151 SER N N 15 115.04 . . 1 . . . . . . . . 5474 1 573 . 1 1 151 151 SER H H 1 8.46 . . 1 . . . . . . . . 5474 1 574 . 1 1 151 151 SER C C 13 175.90 . . 1 . . . . . . . . 5474 1 575 . 1 1 151 151 SER CA C 13 61.30 . . 1 . . . . . . . . 5474 1 576 . 1 1 152 152 TYR C C 13 172.91 . . 1 . . . . . . . . 5474 1 577 . 1 1 152 152 TYR CA C 13 54.89 . . 1 . . . . . . . . 5474 1 578 . 1 1 152 152 TYR CB C 13 37.72 . . 1 . . . . . . . . 5474 1 579 . 1 1 153 153 TYR N N 15 114.14 . . 1 . . . . . . . . 5474 1 580 . 1 1 153 153 TYR H H 1 6.37 . . 1 . . . . . . . . 5474 1 581 . 1 1 153 153 TYR C C 13 172.54 . . 1 . . . . . . . . 5474 1 582 . 1 1 153 153 TYR CA C 13 55.64 . . 1 . . . . . . . . 5474 1 583 . 1 1 153 153 TYR CB C 13 39.04 . . 1 . . . . . . . . 5474 1 584 . 1 1 154 154 THR N N 15 116.22 . . 1 . . . . . . . . 5474 1 585 . 1 1 154 154 THR H H 1 9.26 . . 1 . . . . . . . . 5474 1 586 . 1 1 154 154 THR C C 13 172.95 . . 1 . . . . . . . . 5474 1 587 . 1 1 154 154 THR CA C 13 60.60 . . 1 . . . . . . . . 5474 1 588 . 1 1 154 154 THR CB C 13 72.94 . . 1 . . . . . . . . 5474 1 589 . 1 1 155 155 VAL N N 15 126.05 . . 1 . . . . . . . . 5474 1 590 . 1 1 155 155 VAL H H 1 8.70 . . 1 . . . . . . . . 5474 1 591 . 1 1 155 155 VAL C C 13 175.55 . . 1 . . . . . . . . 5474 1 592 . 1 1 155 155 VAL CA C 13 60.34 . . 1 . . . . . . . . 5474 1 593 . 1 1 156 156 ARG C C 13 174.25 . . 1 . . . . . . . . 5474 1 594 . 1 1 156 156 ARG CA C 13 53.85 . . 1 . . . . . . . . 5474 1 595 . 1 1 157 157 GLN N N 15 120.23 . . 1 . . . . . . . . 5474 1 596 . 1 1 157 157 GLN H H 1 8.07 . . 1 . . . . . . . . 5474 1 597 . 1 1 157 157 GLN CA C 13 54.66 . . 1 . . . . . . . . 5474 1 598 . 1 1 157 157 GLN CB C 13 32.05 . . 1 . . . . . . . . 5474 1 599 . 1 1 161 161 GLU C C 13 174.81 . . 1 . . . . . . . . 5474 1 600 . 1 1 161 161 GLU CA C 13 53.02 . . 1 . . . . . . . . 5474 1 601 . 1 1 161 161 GLU CB C 13 32.51 . . 1 . . . . . . . . 5474 1 602 . 1 1 162 162 ASN N N 15 123.60 . . 1 . . . . . . . . 5474 1 603 . 1 1 162 162 ASN H H 1 8.13 . . 1 . . . . . . . . 5474 1 604 . 1 1 162 162 ASN C C 13 175.85 . . 1 . . . . . . . . 5474 1 605 . 1 1 162 162 ASN CA C 13 51.37 . . 1 . . . . . . . . 5474 1 606 . 1 1 162 162 ASN CB C 13 37.16 . . 1 . . . . . . . . 5474 1 607 . 1 1 163 163 LEU N N 15 125.02 . . 1 . . . . . . . . 5474 1 608 . 1 1 163 163 LEU H H 1 8.17 . . 1 . . . . . . . . 5474 1 609 . 1 1 163 163 LEU C C 13 178.36 . . 1 . . . . . . . . 5474 1 610 . 1 1 163 163 LEU CA C 13 56.33 . . 1 . . . . . . . . 5474 1 611 . 1 1 163 163 LEU CB C 13 39.98 . . 1 . . . . . . . . 5474 1 612 . 1 1 164 164 THR N N 15 114.32 . . 1 . . . . . . . . 5474 1 613 . 1 1 164 164 THR H H 1 8.15 . . 1 . . . . . . . . 5474 1 614 . 1 1 164 164 THR C C 13 175.69 . . 1 . . . . . . . . 5474 1 615 . 1 1 164 164 THR CA C 13 64.64 . . 1 . . . . . . . . 5474 1 616 . 1 1 164 164 THR CB C 13 68.02 . . 1 . . . . . . . . 5474 1 617 . 1 1 165 165 THR N N 15 108.56 . . 1 . . . . . . . . 5474 1 618 . 1 1 165 165 THR H H 1 6.94 . . 1 . . . . . . . . 5474 1 619 . 1 1 165 165 THR C C 13 175.66 . . 1 . . . . . . . . 5474 1 620 . 1 1 165 165 THR CA C 13 61.39 . . 1 . . . . . . . . 5474 1 621 . 1 1 165 165 THR CB C 13 69.65 . . 1 . . . . . . . . 5474 1 622 . 1 1 166 166 GLN N N 15 115.96 . . 1 . . . . . . . . 5474 1 623 . 1 1 166 166 GLN H H 1 8.29 . . 1 . . . . . . . . 5474 1 624 . 1 1 166 166 GLN C C 13 174.88 . . 1 . . . . . . . . 5474 1 625 . 1 1 166 166 GLN CA C 13 57.49 . . 1 . . . . . . . . 5474 1 626 . 1 1 166 166 GLN CB C 13 25.43 . . 1 . . . . . . . . 5474 1 627 . 1 1 167 167 GLU N N 15 118.71 . . 1 . . . . . . . . 5474 1 628 . 1 1 167 167 GLU H H 1 7.35 . . 1 . . . . . . . . 5474 1 629 . 1 1 167 167 GLU C C 13 175.23 . . 1 . . . . . . . . 5474 1 630 . 1 1 167 167 GLU CA C 13 55.81 . . 1 . . . . . . . . 5474 1 631 . 1 1 167 167 GLU CB C 13 32.60 . . 1 . . . . . . . . 5474 1 632 . 1 1 168 168 THR N N 15 112.96 . . 1 . . . . . . . . 5474 1 633 . 1 1 168 168 THR H H 1 8.39 . . 1 . . . . . . . . 5474 1 634 . 1 1 168 168 THR C C 13 174.44 . . 1 . . . . . . . . 5474 1 635 . 1 1 168 168 THR CA C 13 59.17 . . 1 . . . . . . . . 5474 1 636 . 1 1 168 168 THR CB C 13 71.35 . . 1 . . . . . . . . 5474 1 637 . 1 1 176 176 TYR C C 13 176.68 . . 1 . . . . . . . . 5474 1 638 . 1 1 176 176 TYR CA C 13 57.30 . . 1 . . . . . . . . 5474 1 639 . 1 1 177 177 THR N N 15 115.36 . . 1 . . . . . . . . 5474 1 640 . 1 1 177 177 THR H H 1 8.07 . . 1 . . . . . . . . 5474 1 641 . 1 1 177 177 THR C C 13 176.44 . . 1 . . . . . . . . 5474 1 642 . 1 1 177 177 THR CA C 13 63.09 . . 1 . . . . . . . . 5474 1 643 . 1 1 177 177 THR CB C 13 68.45 . . 1 . . . . . . . . 5474 1 644 . 1 1 178 178 THR N N 15 109.20 . . 1 . . . . . . . . 5474 1 645 . 1 1 178 178 THR H H 1 6.79 . . 1 . . . . . . . . 5474 1 646 . 1 1 178 178 THR CA C 13 59.70 . . 1 . . . . . . . . 5474 1 647 . 1 1 180 180 PRO C C 13 176.63 . . 1 . . . . . . . . 5474 1 648 . 1 1 180 180 PRO CA C 13 62.15 . . 1 . . . . . . . . 5474 1 649 . 1 1 180 180 PRO CB C 13 32.53 . . 1 . . . . . . . . 5474 1 650 . 1 1 181 181 ASP N N 15 120.13 . . 1 . . . . . . . . 5474 1 651 . 1 1 181 181 ASP H H 1 8.77 . . 1 . . . . . . . . 5474 1 652 . 1 1 181 181 ASP C C 13 176.26 . . 1 . . . . . . . . 5474 1 653 . 1 1 181 181 ASP CA C 13 55.00 . . 1 . . . . . . . . 5474 1 654 . 1 1 181 181 ASP CB C 13 38.96 . . 1 . . . . . . . . 5474 1 655 . 1 1 182 182 PHE N N 15 114.86 . . 1 . . . . . . . . 5474 1 656 . 1 1 182 182 PHE H H 1 8.14 . . 1 . . . . . . . . 5474 1 657 . 1 1 182 182 PHE C C 13 174.70 . . 1 . . . . . . . . 5474 1 658 . 1 1 182 182 PHE CA C 13 60.50 . . 1 . . . . . . . . 5474 1 659 . 1 1 183 183 GLY N N 15 107.45 . . 1 . . . . . . . . 5474 1 660 . 1 1 183 183 GLY H H 1 8.02 . . 1 . . . . . . . . 5474 1 661 . 1 1 183 183 GLY C C 13 173.83 . . 1 . . . . . . . . 5474 1 662 . 1 1 183 183 GLY CA C 13 43.00 . . 1 . . . . . . . . 5474 1 663 . 1 1 184 184 VAL N N 15 112.78 . . 1 . . . . . . . . 5474 1 664 . 1 1 184 184 VAL H H 1 8.29 . . 1 . . . . . . . . 5474 1 665 . 1 1 184 184 VAL C C 13 171.52 . . 1 . . . . . . . . 5474 1 666 . 1 1 184 184 VAL CA C 13 57.76 . . 1 . . . . . . . . 5474 1 667 . 1 1 184 184 VAL CB C 13 31.75 . . 1 . . . . . . . . 5474 1 668 . 1 1 188 188 PRO C C 13 177.17 . . 1 . . . . . . . . 5474 1 669 . 1 1 188 188 PRO CA C 13 65.32 . . 1 . . . . . . . . 5474 1 670 . 1 1 188 188 PRO CB C 13 30.16 . . 1 . . . . . . . . 5474 1 671 . 1 1 189 189 ALA N N 15 117.31 . . 1 . . . . . . . . 5474 1 672 . 1 1 189 189 ALA H H 1 8.03 . . 1 . . . . . . . . 5474 1 673 . 1 1 189 189 ALA C C 13 179.25 . . 1 . . . . . . . . 5474 1 674 . 1 1 189 189 ALA CA C 13 55.26 . . 1 . . . . . . . . 5474 1 675 . 1 1 189 189 ALA CB C 13 18.40 . . 1 . . . . . . . . 5474 1 676 . 1 1 190 190 SER N N 15 113.88 . . 1 . . . . . . . . 5474 1 677 . 1 1 190 190 SER H H 1 8.04 . . 1 . . . . . . . . 5474 1 678 . 1 1 190 190 SER C C 13 177.63 . . 1 . . . . . . . . 5474 1 679 . 1 1 190 190 SER CA C 13 61.00 . . 1 . . . . . . . . 5474 1 680 . 1 1 191 191 PHE N N 15 123.15 . . 1 . . . . . . . . 5474 1 681 . 1 1 191 191 PHE H H 1 7.38 . . 1 . . . . . . . . 5474 1 682 . 1 1 191 191 PHE C C 13 175.60 . . 1 . . . . . . . . 5474 1 683 . 1 1 191 191 PHE CA C 13 61.14 . . 1 . . . . . . . . 5474 1 684 . 1 1 192 192 LEU N N 15 120.23 . . 1 . . . . . . . . 5474 1 685 . 1 1 192 192 LEU H H 1 8.90 . . 1 . . . . . . . . 5474 1 686 . 1 1 192 192 LEU C C 13 177.98 . . 1 . . . . . . . . 5474 1 687 . 1 1 192 192 LEU CA C 13 56.88 . . 1 . . . . . . . . 5474 1 688 . 1 1 192 192 LEU CB C 13 39.45 . . 1 . . . . . . . . 5474 1 689 . 1 1 193 193 ASN N N 15 116.21 . . 1 . . . . . . . . 5474 1 690 . 1 1 193 193 ASN H H 1 8.35 . . 1 . . . . . . . . 5474 1 691 . 1 1 193 193 ASN C C 13 176.92 . . 1 . . . . . . . . 5474 1 692 . 1 1 193 193 ASN CA C 13 56.56 . . 1 . . . . . . . . 5474 1 693 . 1 1 193 193 ASN CB C 13 38.98 . . 1 . . . . . . . . 5474 1 694 . 1 1 194 194 PHE N N 15 116.89 . . 1 . . . . . . . . 5474 1 695 . 1 1 194 194 PHE H H 1 7.15 . . 1 . . . . . . . . 5474 1 696 . 1 1 194 194 PHE C C 13 178.24 . . 1 . . . . . . . . 5474 1 697 . 1 1 194 194 PHE CA C 13 61.11 . . 1 . . . . . . . . 5474 1 698 . 1 1 194 194 PHE CB C 13 35.83 . . 1 . . . . . . . . 5474 1 699 . 1 1 195 195 LEU N N 15 122.45 . . 1 . . . . . . . . 5474 1 700 . 1 1 195 195 LEU H H 1 7.61 . . 1 . . . . . . . . 5474 1 701 . 1 1 195 195 LEU C C 13 179.73 . . 1 . . . . . . . . 5474 1 702 . 1 1 195 195 LEU CA C 13 57.80 . . 1 . . . . . . . . 5474 1 703 . 1 1 198 198 VAL C C 13 181.36 . . 1 . . . . . . . . 5474 1 704 . 1 1 198 198 VAL CA C 13 65.41 . . 1 . . . . . . . . 5474 1 705 . 1 1 198 198 VAL CB C 13 29.64 . . 1 . . . . . . . . 5474 1 706 . 1 1 199 199 ARG N N 15 119.82 . . 1 . . . . . . . . 5474 1 707 . 1 1 199 199 ARG H H 1 8.38 . . 1 . . . . . . . . 5474 1 708 . 1 1 199 199 ARG C C 13 180.12 . . 1 . . . . . . . . 5474 1 709 . 1 1 199 199 ARG CA C 13 59.62 . . 1 . . . . . . . . 5474 1 710 . 1 1 199 199 ARG CB C 13 30.08 . . 1 . . . . . . . . 5474 1 711 . 1 1 200 200 GLU N N 15 119.80 . . 1 . . . . . . . . 5474 1 712 . 1 1 200 200 GLU H H 1 8.52 . . 1 . . . . . . . . 5474 1 713 . 1 1 200 200 GLU C C 13 177.45 . . 1 . . . . . . . . 5474 1 714 . 1 1 200 200 GLU CA C 13 58.11 . . 1 . . . . . . . . 5474 1 715 . 1 1 200 200 GLU CB C 13 28.71 . . 1 . . . . . . . . 5474 1 716 . 1 1 201 201 SER N N 15 111.69 . . 1 . . . . . . . . 5474 1 717 . 1 1 201 201 SER H H 1 7.29 . . 1 . . . . . . . . 5474 1 718 . 1 1 201 201 SER C C 13 175.21 . . 1 . . . . . . . . 5474 1 719 . 1 1 201 201 SER CA C 13 59.84 . . 1 . . . . . . . . 5474 1 720 . 1 1 201 201 SER CB C 13 65.50 . . 1 . . . . . . . . 5474 1 721 . 1 1 202 202 GLY N N 15 109.40 . . 1 . . . . . . . . 5474 1 722 . 1 1 202 202 GLY H H 1 7.56 . . 1 . . . . . . . . 5474 1 723 . 1 1 202 202 GLY C C 13 175.97 . . 1 . . . . . . . . 5474 1 724 . 1 1 202 202 GLY CA C 13 45.55 . . 1 . . . . . . . . 5474 1 725 . 1 1 203 203 SER N N 15 113.35 . . 1 . . . . . . . . 5474 1 726 . 1 1 203 203 SER H H 1 7.76 . . 1 . . . . . . . . 5474 1 727 . 1 1 203 203 SER C C 13 171.72 . . 1 . . . . . . . . 5474 1 728 . 1 1 203 203 SER CA C 13 62.53 . . 1 . . . . . . . . 5474 1 729 . 1 1 203 203 SER CB C 13 62.20 . . 1 . . . . . . . . 5474 1 730 . 1 1 204 204 LEU N N 15 115.67 . . 1 . . . . . . . . 5474 1 731 . 1 1 204 204 LEU H H 1 8.17 . . 1 . . . . . . . . 5474 1 732 . 1 1 204 204 LEU C C 13 176.60 . . 1 . . . . . . . . 5474 1 733 . 1 1 204 204 LEU CA C 13 53.33 . . 1 . . . . . . . . 5474 1 734 . 1 1 204 204 LEU CB C 13 39.59 . . 1 . . . . . . . . 5474 1 735 . 1 1 205 205 SER N N 15 115.26 . . 1 . . . . . . . . 5474 1 736 . 1 1 205 205 SER H H 1 7.23 . . 1 . . . . . . . . 5474 1 737 . 1 1 205 205 SER C C 13 175.00 . . 1 . . . . . . . . 5474 1 738 . 1 1 205 205 SER CA C 13 56.46 . . 1 . . . . . . . . 5474 1 739 . 1 1 205 205 SER CB C 13 62.98 . . 1 . . . . . . . . 5474 1 740 . 1 1 206 206 PRO C C 13 176.72 . . 1 . . . . . . . . 5474 1 741 . 1 1 206 206 PRO CA C 13 64.13 . . 1 . . . . . . . . 5474 1 742 . 1 1 206 206 PRO CB C 13 30.70 . . 1 . . . . . . . . 5474 1 743 . 1 1 207 207 GLU N N 15 117.04 . . 1 . . . . . . . . 5474 1 744 . 1 1 207 207 GLU H H 1 8.15 . . 1 . . . . . . . . 5474 1 745 . 1 1 207 207 GLU C C 13 176.05 . . 1 . . . . . . . . 5474 1 746 . 1 1 207 207 GLU CA C 13 57.09 . . 1 . . . . . . . . 5474 1 747 . 1 1 207 207 GLU CB C 13 28.21 . . 1 . . . . . . . . 5474 1 748 . 1 1 208 208 HIS N N 15 118.60 . . 1 . . . . . . . . 5474 1 749 . 1 1 208 208 HIS H H 1 7.38 . . 1 . . . . . . . . 5474 1 750 . 1 1 208 208 HIS C C 13 175.23 . . 1 . . . . . . . . 5474 1 751 . 1 1 208 208 HIS CA C 13 53.77 . . 1 . . . . . . . . 5474 1 752 . 1 1 208 208 HIS CB C 13 33.26 . . 1 . . . . . . . . 5474 1 753 . 1 1 209 209 GLY N N 15 103.81 . . 1 . . . . . . . . 5474 1 754 . 1 1 209 209 GLY H H 1 7.22 . . 1 . . . . . . . . 5474 1 755 . 1 1 209 209 GLY C C 13 171.09 . . 1 . . . . . . . . 5474 1 756 . 1 1 209 209 GLY CA C 13 43.90 . . 1 . . . . . . . . 5474 1 757 . 1 1 217 217 ALA C C 13 178.14 . . 1 . . . . . . . . 5474 1 758 . 1 1 217 217 ALA CA C 13 51.00 . . 1 . . . . . . . . 5474 1 759 . 1 1 218 218 GLY N N 15 113.30 . . 1 . . . . . . . . 5474 1 760 . 1 1 218 218 GLY H H 1 9.00 . . 1 . . . . . . . . 5474 1 761 . 1 1 218 218 GLY C C 13 175.81 . . 1 . . . . . . . . 5474 1 762 . 1 1 218 218 GLY CA C 13 47.00 . . 1 . . . . . . . . 5474 1 763 . 1 1 222 222 SER C C 13 176.46 . . 1 . . . . . . . . 5474 1 764 . 1 1 222 222 SER CA C 13 63.82 . . 1 . . . . . . . . 5474 1 765 . 1 1 223 223 GLY N N 15 104.01 . . 1 . . . . . . . . 5474 1 766 . 1 1 223 223 GLY H H 1 6.24 . . 1 . . . . . . . . 5474 1 767 . 1 1 223 223 GLY C C 13 173.49 . . 1 . . . . . . . . 5474 1 768 . 1 1 223 223 GLY CA C 13 47.20 . . 1 . . . . . . . . 5474 1 769 . 1 1 224 224 THR N N 15 119.68 . . 1 . . . . . . . . 5474 1 770 . 1 1 224 224 THR H H 1 7.44 . . 1 . . . . . . . . 5474 1 771 . 1 1 224 224 THR C C 13 173.52 . . 1 . . . . . . . . 5474 1 772 . 1 1 224 224 THR CA C 13 67.31 . . 1 . . . . . . . . 5474 1 773 . 1 1 225 225 PHE N N 15 118.75 . . 1 . . . . . . . . 5474 1 774 . 1 1 225 225 PHE H H 1 8.15 . . 1 . . . . . . . . 5474 1 775 . 1 1 225 225 PHE C C 13 175.71 . . 1 . . . . . . . . 5474 1 776 . 1 1 225 225 PHE CA C 13 61.92 . . 1 . . . . . . . . 5474 1 777 . 1 1 225 225 PHE CB C 13 39.98 . . 1 . . . . . . . . 5474 1 778 . 1 1 226 226 CYS N N 15 114.32 . . 1 . . . . . . . . 5474 1 779 . 1 1 226 226 CYS H H 1 7.66 . . 1 . . . . . . . . 5474 1 780 . 1 1 226 226 CYS C C 13 176.13 . . 1 . . . . . . . . 5474 1 781 . 1 1 226 226 CYS CA C 13 62.90 . . 1 . . . . . . . . 5474 1 782 . 1 1 226 226 CYS CB C 13 26.36 . . 1 . . . . . . . . 5474 1 783 . 1 1 227 227 LEU N N 15 120.56 . . 1 . . . . . . . . 5474 1 784 . 1 1 227 227 LEU H H 1 8.34 . . 1 . . . . . . . . 5474 1 785 . 1 1 227 227 LEU C C 13 179.17 . . 1 . . . . . . . . 5474 1 786 . 1 1 227 227 LEU CA C 13 57.59 . . 1 . . . . . . . . 5474 1 787 . 1 1 227 227 LEU CB C 13 40.90 . . 1 . . . . . . . . 5474 1 788 . 1 1 228 228 ALA N N 15 118.74 . . 1 . . . . . . . . 5474 1 789 . 1 1 228 228 ALA H H 1 7.63 . . 1 . . . . . . . . 5474 1 790 . 1 1 228 228 ALA C C 13 178.56 . . 1 . . . . . . . . 5474 1 791 . 1 1 228 228 ALA CA C 13 54.82 . . 1 . . . . . . . . 5474 1 792 . 1 1 228 228 ALA CB C 13 16.87 . . 1 . . . . . . . . 5474 1 793 . 1 1 229 229 ASP N N 15 113.46 . . 1 . . . . . . . . 5474 1 794 . 1 1 229 229 ASP H H 1 7.33 . . 1 . . . . . . . . 5474 1 795 . 1 1 229 229 ASP C C 13 178.24 . . 1 . . . . . . . . 5474 1 796 . 1 1 229 229 ASP CA C 13 58.27 . . 1 . . . . . . . . 5474 1 797 . 1 1 229 229 ASP CB C 13 40.34 . . 1 . . . . . . . . 5474 1 798 . 1 1 230 230 THR N N 15 114.50 . . 1 . . . . . . . . 5474 1 799 . 1 1 230 230 THR H H 1 8.55 . . 1 . . . . . . . . 5474 1 800 . 1 1 230 230 THR C C 13 176.80 . . 1 . . . . . . . . 5474 1 801 . 1 1 230 230 THR CA C 13 68.05 . . 1 . . . . . . . . 5474 1 802 . 1 1 230 230 THR CB C 13 65.61 . . 1 . . . . . . . . 5474 1 803 . 1 1 231 231 CYS N N 15 117.38 . . 1 . . . . . . . . 5474 1 804 . 1 1 231 231 CYS H H 1 8.37 . . 1 . . . . . . . . 5474 1 805 . 1 1 231 231 CYS C C 13 176.90 . . 1 . . . . . . . . 5474 1 806 . 1 1 231 231 CYS CA C 13 65.52 . . 1 . . . . . . . . 5474 1 807 . 1 1 231 231 CYS CB C 13 27.17 . . 1 . . . . . . . . 5474 1 808 . 1 1 232 232 LEU N N 15 117.52 . . 1 . . . . . . . . 5474 1 809 . 1 1 232 232 LEU H H 1 7.79 . . 1 . . . . . . . . 5474 1 810 . 1 1 232 232 LEU C C 13 180.40 . . 1 . . . . . . . . 5474 1 811 . 1 1 232 232 LEU CA C 13 57.52 . . 1 . . . . . . . . 5474 1 812 . 1 1 232 232 LEU CB C 13 40.50 . . 1 . . . . . . . . 5474 1 813 . 1 1 233 233 LEU N N 15 121.78 . . 1 . . . . . . . . 5474 1 814 . 1 1 233 233 LEU H H 1 7.84 . . 1 . . . . . . . . 5474 1 815 . 1 1 233 233 LEU C C 13 180.28 . . 1 . . . . . . . . 5474 1 816 . 1 1 233 233 LEU CA C 13 57.44 . . 1 . . . . . . . . 5474 1 817 . 1 1 233 233 LEU CB C 13 41.38 . . 1 . . . . . . . . 5474 1 818 . 1 1 234 234 LEU N N 15 118.56 . . 1 . . . . . . . . 5474 1 819 . 1 1 234 234 LEU H H 1 8.35 . . 1 . . . . . . . . 5474 1 820 . 1 1 234 234 LEU C C 13 178.90 . . 1 . . . . . . . . 5474 1 821 . 1 1 234 234 LEU CA C 13 57.38 . . 1 . . . . . . . . 5474 1 822 . 1 1 234 234 LEU CB C 13 41.43 . . 1 . . . . . . . . 5474 1 823 . 1 1 235 235 MET N N 15 116.36 . . 1 . . . . . . . . 5474 1 824 . 1 1 235 235 MET H H 1 7.81 . . 1 . . . . . . . . 5474 1 825 . 1 1 235 235 MET C C 13 177.03 . . 1 . . . . . . . . 5474 1 826 . 1 1 235 235 MET CA C 13 58.66 . . 1 . . . . . . . . 5474 1 827 . 1 1 235 235 MET CB C 13 32.05 . . 1 . . . . . . . . 5474 1 828 . 1 1 236 236 ASP N N 15 116.48 . . 1 . . . . . . . . 5474 1 829 . 1 1 236 236 ASP H H 1 7.18 . . 1 . . . . . . . . 5474 1 830 . 1 1 236 236 ASP C C 13 177.53 . . 1 . . . . . . . . 5474 1 831 . 1 1 236 236 ASP CA C 13 55.74 . . 1 . . . . . . . . 5474 1 832 . 1 1 236 236 ASP CB C 13 41.91 . . 1 . . . . . . . . 5474 1 833 . 1 1 237 237 LYS N N 15 116.61 . . 1 . . . . . . . . 5474 1 834 . 1 1 237 237 LYS H H 1 7.88 . . 1 . . . . . . . . 5474 1 835 . 1 1 237 237 LYS C C 13 178.50 . . 1 . . . . . . . . 5474 1 836 . 1 1 237 237 LYS CA C 13 57.66 . . 1 . . . . . . . . 5474 1 837 . 1 1 237 237 LYS CB C 13 32.19 . . 1 . . . . . . . . 5474 1 838 . 1 1 238 238 ARG N N 15 115.56 . . 1 . . . . . . . . 5474 1 839 . 1 1 238 238 ARG H H 1 7.86 . . 1 . . . . . . . . 5474 1 840 . 1 1 238 238 ARG C C 13 176.01 . . 1 . . . . . . . . 5474 1 841 . 1 1 238 238 ARG CA C 13 56.02 . . 1 . . . . . . . . 5474 1 842 . 1 1 238 238 ARG CB C 13 30.44 . . 1 . . . . . . . . 5474 1 843 . 1 1 239 239 LYS N N 15 117.24 . . 1 . . . . . . . . 5474 1 844 . 1 1 239 239 LYS H H 1 7.90 . . 1 . . . . . . . . 5474 1 845 . 1 1 239 239 LYS C C 13 176.10 . . 1 . . . . . . . . 5474 1 846 . 1 1 239 239 LYS CA C 13 56.20 . . 1 . . . . . . . . 5474 1 847 . 1 1 239 239 LYS CB C 13 29.82 . . 1 . . . . . . . . 5474 1 848 . 1 1 240 240 ASP N N 15 112.71 . . 1 . . . . . . . . 5474 1 849 . 1 1 240 240 ASP H H 1 7.28 . . 1 . . . . . . . . 5474 1 850 . 1 1 240 240 ASP C C 13 175.10 . . 1 . . . . . . . . 5474 1 851 . 1 1 240 240 ASP CA C 13 50.70 . . 1 . . . . . . . . 5474 1 852 . 1 1 240 240 ASP CB C 13 40.83 . . 1 . . . . . . . . 5474 1 853 . 1 1 241 241 PRO C C 13 177.15 . . 1 . . . . . . . . 5474 1 854 . 1 1 241 241 PRO CA C 13 64.40 . . 1 . . . . . . . . 5474 1 855 . 1 1 242 242 SER N N 15 112.14 . . 1 . . . . . . . . 5474 1 856 . 1 1 242 242 SER H H 1 8.06 . . 1 . . . . . . . . 5474 1 857 . 1 1 242 242 SER C C 13 174.63 . . 1 . . . . . . . . 5474 1 858 . 1 1 242 242 SER CA C 13 59.90 . . 1 . . . . . . . . 5474 1 859 . 1 1 242 242 SER CB C 13 62.84 . . 1 . . . . . . . . 5474 1 860 . 1 1 243 243 SER N N 15 114.35 . . 1 . . . . . . . . 5474 1 861 . 1 1 243 243 SER H H 1 7.54 . . 1 . . . . . . . . 5474 1 862 . 1 1 243 243 SER C C 13 174.27 . . 1 . . . . . . . . 5474 1 863 . 1 1 243 243 SER CA C 13 58.73 . . 1 . . . . . . . . 5474 1 864 . 1 1 243 243 SER CB C 13 64.19 . . 1 . . . . . . . . 5474 1 865 . 1 1 244 244 VAL N N 15 122.84 . . 1 . . . . . . . . 5474 1 866 . 1 1 244 244 VAL H H 1 7.18 . . 1 . . . . . . . . 5474 1 867 . 1 1 244 244 VAL C C 13 173.25 . . 1 . . . . . . . . 5474 1 868 . 1 1 244 244 VAL CA C 13 62.99 . . 1 . . . . . . . . 5474 1 869 . 1 1 244 244 VAL CB C 13 31.38 . . 1 . . . . . . . . 5474 1 870 . 1 1 245 245 ASP N N 15 128.85 . . 1 . . . . . . . . 5474 1 871 . 1 1 245 245 ASP H H 1 8.31 . . 1 . . . . . . . . 5474 1 872 . 1 1 245 245 ASP C C 13 175.80 . . 1 . . . . . . . . 5474 1 873 . 1 1 245 245 ASP CA C 13 51.30 . . 1 . . . . . . . . 5474 1 874 . 1 1 245 245 ASP CB C 13 40.88 . . 1 . . . . . . . . 5474 1 875 . 1 1 246 246 ILE N N 15 125.36 . . 1 . . . . . . . . 5474 1 876 . 1 1 246 246 ILE H H 1 8.41 . . 1 . . . . . . . . 5474 1 877 . 1 1 246 246 ILE C C 13 176.64 . . 1 . . . . . . . . 5474 1 878 . 1 1 246 246 ILE CA C 13 65.47 . . 1 . . . . . . . . 5474 1 879 . 1 1 246 246 ILE CB C 13 37.05 . . 1 . . . . . . . . 5474 1 880 . 1 1 247 247 LYS N N 15 116.77 . . 1 . . . . . . . . 5474 1 881 . 1 1 247 247 LYS H H 1 7.78 . . 1 . . . . . . . . 5474 1 882 . 1 1 247 247 LYS C C 13 177.87 . . 1 . . . . . . . . 5474 1 883 . 1 1 247 247 LYS CA C 13 59.98 . . 1 . . . . . . . . 5474 1 884 . 1 1 247 247 LYS CB C 13 30.04 . . 1 . . . . . . . . 5474 1 885 . 1 1 248 248 LYS N N 15 116.77 . . 1 . . . . . . . . 5474 1 886 . 1 1 248 248 LYS H H 1 7.12 . . 1 . . . . . . . . 5474 1 887 . 1 1 248 248 LYS C C 13 180.49 . . 1 . . . . . . . . 5474 1 888 . 1 1 248 248 LYS CA C 13 58.80 . . 1 . . . . . . . . 5474 1 889 . 1 1 248 248 LYS CB C 13 31.76 . . 1 . . . . . . . . 5474 1 890 . 1 1 249 249 VAL N N 15 120.97 . . 1 . . . . . . . . 5474 1 891 . 1 1 249 249 VAL H H 1 8.07 . . 1 . . . . . . . . 5474 1 892 . 1 1 249 249 VAL C C 13 177.87 . . 1 . . . . . . . . 5474 1 893 . 1 1 249 249 VAL CA C 13 65.91 . . 1 . . . . . . . . 5474 1 894 . 1 1 249 249 VAL CB C 13 30.50 . . 1 . . . . . . . . 5474 1 895 . 1 1 250 250 LEU N N 15 120.38 . . 1 . . . . . . . . 5474 1 896 . 1 1 250 250 LEU H H 1 8.32 . . 1 . . . . . . . . 5474 1 897 . 1 1 250 250 LEU C C 13 179.17 . . 1 . . . . . . . . 5474 1 898 . 1 1 250 250 LEU CA C 13 57.66 . . 1 . . . . . . . . 5474 1 899 . 1 1 250 250 LEU CB C 13 39.95 . . 1 . . . . . . . . 5474 1 900 . 1 1 251 251 LEU N N 15 118.04 . . 1 . . . . . . . . 5474 1 901 . 1 1 251 251 LEU H H 1 8.08 . . 1 . . . . . . . . 5474 1 902 . 1 1 251 251 LEU C C 13 179.66 . . 1 . . . . . . . . 5474 1 903 . 1 1 251 251 LEU CA C 13 57.80 . . 1 . . . . . . . . 5474 1 904 . 1 1 251 251 LEU CB C 13 40.52 . . 1 . . . . . . . . 5474 1 905 . 1 1 252 252 GLU N N 15 120.22 . . 1 . . . . . . . . 5474 1 906 . 1 1 252 252 GLU H H 1 7.82 . . 1 . . . . . . . . 5474 1 907 . 1 1 252 252 GLU C C 13 179.50 . . 1 . . . . . . . . 5474 1 908 . 1 1 252 252 GLU CA C 13 59.14 . . 1 . . . . . . . . 5474 1 909 . 1 1 252 252 GLU CB C 13 28.28 . . 1 . . . . . . . . 5474 1 910 . 1 1 253 253 MET N N 15 118.71 . . 1 . . . . . . . . 5474 1 911 . 1 1 253 253 MET H H 1 8.56 . . 1 . . . . . . . . 5474 1 912 . 1 1 253 253 MET C C 13 179.31 . . 1 . . . . . . . . 5474 1 913 . 1 1 253 253 MET CA C 13 60.36 . . 1 . . . . . . . . 5474 1 914 . 1 1 253 253 MET CB C 13 33.39 . . 1 . . . . . . . . 5474 1 915 . 1 1 254 254 ARG N N 15 116.34 . . 1 . . . . . . . . 5474 1 916 . 1 1 254 254 ARG H H 1 8.45 . . 1 . . . . . . . . 5474 1 917 . 1 1 254 254 ARG C C 13 177.22 . . 1 . . . . . . . . 5474 1 918 . 1 1 254 254 ARG CA C 13 57.66 . . 1 . . . . . . . . 5474 1 919 . 1 1 254 254 ARG CB C 13 29.74 . . 1 . . . . . . . . 5474 1 920 . 1 1 255 255 LYS N N 15 118.30 . . 1 . . . . . . . . 5474 1 921 . 1 1 255 255 LYS H H 1 7.56 . . 1 . . . . . . . . 5474 1 922 . 1 1 255 255 LYS C C 13 176.21 . . 1 . . . . . . . . 5474 1 923 . 1 1 255 255 LYS CA C 13 58.63 . . 1 . . . . . . . . 5474 1 924 . 1 1 255 255 LYS CB C 13 31.07 . . 1 . . . . . . . . 5474 1 925 . 1 1 256 256 PHE N N 15 111.84 . . 1 . . . . . . . . 5474 1 926 . 1 1 256 256 PHE H H 1 8.14 . . 1 . . . . . . . . 5474 1 927 . 1 1 256 256 PHE C C 13 177.47 . . 1 . . . . . . . . 5474 1 928 . 1 1 256 256 PHE CA C 13 58.92 . . 1 . . . . . . . . 5474 1 929 . 1 1 256 256 PHE CB C 13 40.73 . . 1 . . . . . . . . 5474 1 930 . 1 1 257 257 ARG N N 15 119.78 . . 1 . . . . . . . . 5474 1 931 . 1 1 257 257 ARG H H 1 7.34 . . 1 . . . . . . . . 5474 1 932 . 1 1 257 257 ARG C C 13 171.49 . . 1 . . . . . . . . 5474 1 933 . 1 1 257 257 ARG CA C 13 56.49 . . 1 . . . . . . . . 5474 1 934 . 1 1 257 257 ARG CB C 13 31.72 . . 1 . . . . . . . . 5474 1 935 . 1 1 258 258 MET N N 15 120.30 . . 1 . . . . . . . . 5474 1 936 . 1 1 258 258 MET H H 1 8.02 . . 1 . . . . . . . . 5474 1 937 . 1 1 258 258 MET C C 13 175.98 . . 1 . . . . . . . . 5474 1 938 . 1 1 258 258 MET CA C 13 54.66 . . 1 . . . . . . . . 5474 1 939 . 1 1 258 258 MET CB C 13 31.89 . . 1 . . . . . . . . 5474 1 940 . 1 1 259 259 GLY N N 15 99.71 . . 1 . . . . . . . . 5474 1 941 . 1 1 259 259 GLY H H 1 8.74 . . 1 . . . . . . . . 5474 1 942 . 1 1 259 259 GLY C C 13 174.20 . . 1 . . . . . . . . 5474 1 943 . 1 1 259 259 GLY CA C 13 46.34 . . 1 . . . . . . . . 5474 1 944 . 1 1 260 260 LEU N N 15 113.82 . . 1 . . . . . . . . 5474 1 945 . 1 1 260 260 LEU H H 1 6.26 . . 1 . . . . . . . . 5474 1 946 . 1 1 260 260 LEU C C 13 180.23 . . 1 . . . . . . . . 5474 1 947 . 1 1 260 260 LEU CA C 13 54.94 . . 1 . . . . . . . . 5474 1 948 . 1 1 260 260 LEU CB C 13 39.95 . . 1 . . . . . . . . 5474 1 949 . 1 1 261 261 ILE N N 15 115.54 . . 1 . . . . . . . . 5474 1 950 . 1 1 261 261 ILE H H 1 8.27 . . 1 . . . . . . . . 5474 1 951 . 1 1 261 261 ILE C C 13 176.61 . . 1 . . . . . . . . 5474 1 952 . 1 1 261 261 ILE CA C 13 67.28 . . 1 . . . . . . . . 5474 1 953 . 1 1 261 261 ILE CB C 13 32.41 . . 1 . . . . . . . . 5474 1 954 . 1 1 262 262 GLN N N 15 126.10 . . 1 . . . . . . . . 5474 1 955 . 1 1 262 262 GLN H H 1 8.64 . . 1 . . . . . . . . 5474 1 956 . 1 1 262 262 GLN C C 13 174.44 . . 1 . . . . . . . . 5474 1 957 . 1 1 262 262 GLN CA C 13 56.61 . . 1 . . . . . . . . 5474 1 958 . 1 1 262 262 GLN CB C 13 33.50 . . 1 . . . . . . . . 5474 1 959 . 1 1 263 263 THR N N 15 106.50 . . 1 . . . . . . . . 5474 1 960 . 1 1 263 263 THR H H 1 6.83 . . 1 . . . . . . . . 5474 1 961 . 1 1 263 263 THR C C 13 173.28 . . 1 . . . . . . . . 5474 1 962 . 1 1 263 263 THR CA C 13 57.48 . . 1 . . . . . . . . 5474 1 963 . 1 1 263 263 THR CB C 13 71.87 . . 1 . . . . . . . . 5474 1 964 . 1 1 264 264 ALA N N 15 122.80 . . 1 . . . . . . . . 5474 1 965 . 1 1 264 264 ALA H H 1 8.52 . . 1 . . . . . . . . 5474 1 966 . 1 1 264 264 ALA C C 13 178.72 . . 1 . . . . . . . . 5474 1 967 . 1 1 264 264 ALA CA C 13 53.93 . . 1 . . . . . . . . 5474 1 968 . 1 1 264 264 ALA CB C 13 16.87 . . 1 . . . . . . . . 5474 1 969 . 1 1 265 265 ASP N N 15 115.83 . . 1 . . . . . . . . 5474 1 970 . 1 1 265 265 ASP H H 1 7.68 . . 1 . . . . . . . . 5474 1 971 . 1 1 265 265 ASP C C 13 179.46 . . 1 . . . . . . . . 5474 1 972 . 1 1 265 265 ASP CA C 13 56.08 . . 1 . . . . . . . . 5474 1 973 . 1 1 265 265 ASP CB C 13 39.52 . . 1 . . . . . . . . 5474 1 974 . 1 1 266 266 GLN N N 15 121.18 . . 1 . . . . . . . . 5474 1 975 . 1 1 266 266 GLN H H 1 7.88 . . 1 . . . . . . . . 5474 1 976 . 1 1 266 266 GLN C C 13 178.87 . . 1 . . . . . . . . 5474 1 977 . 1 1 266 266 GLN CA C 13 58.71 . . 1 . . . . . . . . 5474 1 978 . 1 1 266 266 GLN CB C 13 27.19 . . 1 . . . . . . . . 5474 1 979 . 1 1 267 267 LEU N N 15 121.97 . . 1 . . . . . . . . 5474 1 980 . 1 1 267 267 LEU H H 1 7.33 . . 1 . . . . . . . . 5474 1 981 . 1 1 267 267 LEU C C 13 177.64 . . 1 . . . . . . . . 5474 1 982 . 1 1 267 267 LEU CA C 13 57.81 . . 1 . . . . . . . . 5474 1 983 . 1 1 267 267 LEU CB C 13 40.44 . . 1 . . . . . . . . 5474 1 984 . 1 1 268 268 ARG N N 15 120.37 . . 1 . . . . . . . . 5474 1 985 . 1 1 268 268 ARG H H 1 7.90 . . 1 . . . . . . . . 5474 1 986 . 1 1 268 268 ARG C C 13 177.62 . . 1 . . . . . . . . 5474 1 987 . 1 1 268 268 ARG CA C 13 58.93 . . 1 . . . . . . . . 5474 1 988 . 1 1 268 268 ARG CB C 13 28.28 . . 1 . . . . . . . . 5474 1 989 . 1 1 269 269 PHE N N 15 117.15 . . 1 . . . . . . . . 5474 1 990 . 1 1 269 269 PHE H H 1 8.21 . . 1 . . . . . . . . 5474 1 991 . 1 1 269 269 PHE C C 13 175.79 . . 1 . . . . . . . . 5474 1 992 . 1 1 269 269 PHE CA C 13 61.60 . . 1 . . . . . . . . 5474 1 993 . 1 1 269 269 PHE CB C 13 38.94 . . 1 . . . . . . . . 5474 1 994 . 1 1 270 270 SER N N 15 115.64 . . 1 . . . . . . . . 5474 1 995 . 1 1 270 270 SER H H 1 8.02 . . 1 . . . . . . . . 5474 1 996 . 1 1 270 270 SER C C 13 175.53 . . 1 . . . . . . . . 5474 1 997 . 1 1 270 270 SER CA C 13 63.56 . . 1 . . . . . . . . 5474 1 998 . 1 1 271 271 TYR N N 15 119.36 . . 1 . . . . . . . . 5474 1 999 . 1 1 271 271 TYR H H 1 7.47 . . 1 . . . . . . . . 5474 1 1000 . 1 1 271 271 TYR C C 13 177.77 . . 1 . . . . . . . . 5474 1 1001 . 1 1 271 271 TYR CA C 13 61.68 . . 1 . . . . . . . . 5474 1 1002 . 1 1 271 271 TYR CB C 13 40.05 . . 1 . . . . . . . . 5474 1 1003 . 1 1 272 272 LEU N N 15 117.02 . . 1 . . . . . . . . 5474 1 1004 . 1 1 272 272 LEU H H 1 7.48 . . 1 . . . . . . . . 5474 1 1005 . 1 1 272 272 LEU C C 13 179.35 . . 1 . . . . . . . . 5474 1 1006 . 1 1 272 272 LEU CA C 13 57.15 . . 1 . . . . . . . . 5474 1 1007 . 1 1 272 272 LEU CB C 13 40.89 . . 1 . . . . . . . . 5474 1 1008 . 1 1 273 273 ALA N N 15 118.69 . . 1 . . . . . . . . 5474 1 1009 . 1 1 273 273 ALA H H 1 8.47 . . 1 . . . . . . . . 5474 1 1010 . 1 1 273 273 ALA C C 13 178.98 . . 1 . . . . . . . . 5474 1 1011 . 1 1 273 273 ALA CA C 13 54.49 . . 1 . . . . . . . . 5474 1 1012 . 1 1 273 273 ALA CB C 13 16.72 . . 1 . . . . . . . . 5474 1 1013 . 1 1 274 274 VAL N N 15 118.01 . . 1 . . . . . . . . 5474 1 1014 . 1 1 274 274 VAL H H 1 7.73 . . 1 . . . . . . . . 5474 1 1015 . 1 1 274 274 VAL C C 13 177.23 . . 1 . . . . . . . . 5474 1 1016 . 1 1 274 274 VAL CA C 13 66.17 . . 1 . . . . . . . . 5474 1 1017 . 1 1 274 274 VAL CB C 13 30.00 . . 1 . . . . . . . . 5474 1 1018 . 1 1 275 275 ILE N N 15 119.80 . . 1 . . . . . . . . 5474 1 1019 . 1 1 275 275 ILE H H 1 8.35 . . 1 . . . . . . . . 5474 1 1020 . 1 1 275 275 ILE C C 13 178.57 . . 1 . . . . . . . . 5474 1 1021 . 1 1 275 275 ILE CA C 13 65.44 . . 1 . . . . . . . . 5474 1 1022 . 1 1 275 275 ILE CB C 13 37.50 . . 1 . . . . . . . . 5474 1 1023 . 1 1 276 276 GLU N N 15 117.42 . . 1 . . . . . . . . 5474 1 1024 . 1 1 276 276 GLU H H 1 7.90 . . 1 . . . . . . . . 5474 1 1025 . 1 1 276 276 GLU C C 13 179.68 . . 1 . . . . . . . . 5474 1 1026 . 1 1 276 276 GLU CA C 13 58.19 . . 1 . . . . . . . . 5474 1 1027 . 1 1 276 276 GLU CB C 13 27.90 . . 1 . . . . . . . . 5474 1 1028 . 1 1 277 277 GLY N N 15 108.02 . . 1 . . . . . . . . 5474 1 1029 . 1 1 277 277 GLY H H 1 8.67 . . 1 . . . . . . . . 5474 1 1030 . 1 1 277 277 GLY C C 13 175.75 . . 1 . . . . . . . . 5474 1 1031 . 1 1 277 277 GLY CA C 13 47.10 . . 1 . . . . . . . . 5474 1 1032 . 1 1 278 278 ALA N N 15 123.93 . . 1 . . . . . . . . 5474 1 1033 . 1 1 278 278 ALA H H 1 8.49 . . 1 . . . . . . . . 5474 1 1034 . 1 1 278 278 ALA C C 13 179.22 . . 1 . . . . . . . . 5474 1 1035 . 1 1 278 278 ALA CA C 13 54.36 . . 1 . . . . . . . . 5474 1 1036 . 1 1 278 278 ALA CB C 13 17.61 . . 1 . . . . . . . . 5474 1 1037 . 1 1 279 279 LYS N N 15 115.32 . . 1 . . . . . . . . 5474 1 1038 . 1 1 279 279 LYS H H 1 7.46 . . 1 . . . . . . . . 5474 1 1039 . 1 1 279 279 LYS C C 13 179.01 . . 1 . . . . . . . . 5474 1 1040 . 1 1 279 279 LYS CA C 13 58.84 . . 1 . . . . . . . . 5474 1 1041 . 1 1 279 279 LYS CB C 13 31.90 . . 1 . . . . . . . . 5474 1 1042 . 1 1 280 280 PHE N N 15 117.13 . . 1 . . . . . . . . 5474 1 1043 . 1 1 280 280 PHE H H 1 7.42 . . 1 . . . . . . . . 5474 1 1044 . 1 1 280 280 PHE C C 13 178.22 . . 1 . . . . . . . . 5474 1 1045 . 1 1 280 280 PHE CA C 13 59.26 . . 1 . . . . . . . . 5474 1 1046 . 1 1 280 280 PHE CB C 13 39.19 . . 1 . . . . . . . . 5474 1 1047 . 1 1 281 281 ILE N N 15 118.61 . . 1 . . . . . . . . 5474 1 1048 . 1 1 281 281 ILE H H 1 7.69 . . 1 . . . . . . . . 5474 1 1049 . 1 1 281 281 ILE C C 13 177.62 . . 1 . . . . . . . . 5474 1 1050 . 1 1 281 281 ILE CA C 13 62.33 . . 1 . . . . . . . . 5474 1 1051 . 1 1 281 281 ILE CB C 13 36.59 . . 1 . . . . . . . . 5474 1 1052 . 1 1 282 282 MET N N 15 116.13 . . 1 . . . . . . . . 5474 1 1053 . 1 1 282 282 MET H H 1 8.03 . . 1 . . . . . . . . 5474 1 1054 . 1 1 282 282 MET C C 13 177.01 . . 1 . . . . . . . . 5474 1 1055 . 1 1 282 282 MET CA C 13 54.98 . . 1 . . . . . . . . 5474 1 1056 . 1 1 282 282 MET CB C 13 30.77 . . 1 . . . . . . . . 5474 1 1057 . 1 1 283 283 GLY N N 15 106.37 . . 1 . . . . . . . . 5474 1 1058 . 1 1 283 283 GLY H H 1 7.35 . . 1 . . . . . . . . 5474 1 1059 . 1 1 283 283 GLY C C 13 173.83 . . 1 . . . . . . . . 5474 1 1060 . 1 1 283 283 GLY CA C 13 45.10 . . 1 . . . . . . . . 5474 1 1061 . 1 1 284 284 ASP N N 15 119.95 . . 1 . . . . . . . . 5474 1 1062 . 1 1 284 284 ASP H H 1 7.80 . . 1 . . . . . . . . 5474 1 1063 . 1 1 284 284 ASP C C 13 176.41 . . 1 . . . . . . . . 5474 1 1064 . 1 1 284 284 ASP CA C 13 53.01 . . 1 . . . . . . . . 5474 1 1065 . 1 1 284 284 ASP CB C 13 40.19 . . 1 . . . . . . . . 5474 1 1066 . 1 1 285 285 SER N N 15 117.97 . . 1 . . . . . . . . 5474 1 1067 . 1 1 285 285 SER H H 1 8.17 . . 1 . . . . . . . . 5474 1 1068 . 1 1 285 285 SER C C 13 175.80 . . 1 . . . . . . . . 5474 1 1069 . 1 1 285 285 SER CA C 13 59.63 . . 1 . . . . . . . . 5474 1 1070 . 1 1 285 285 SER CB C 13 62.61 . . 1 . . . . . . . . 5474 1 1071 . 1 1 286 286 SER N N 15 117.82 . . 1 . . . . . . . . 5474 1 1072 . 1 1 286 286 SER H H 1 8.32 . . 1 . . . . . . . . 5474 1 1073 . 1 1 286 286 SER C C 13 176.06 . . 1 . . . . . . . . 5474 1 1074 . 1 1 286 286 SER CA C 13 59.87 . . 1 . . . . . . . . 5474 1 1075 . 1 1 286 286 SER CB C 13 62.53 . . 1 . . . . . . . . 5474 1 1076 . 1 1 287 287 VAL N N 15 120.77 . . 1 . . . . . . . . 5474 1 1077 . 1 1 287 287 VAL H H 1 7.33 . . 1 . . . . . . . . 5474 1 1078 . 1 1 287 287 VAL C C 13 176.09 . . 1 . . . . . . . . 5474 1 1079 . 1 1 287 287 VAL CA C 13 63.34 . . 1 . . . . . . . . 5474 1 1080 . 1 1 287 287 VAL CB C 13 30.81 . . 1 . . . . . . . . 5474 1 1081 . 1 1 288 288 GLN N N 15 119.46 . . 1 . . . . . . . . 5474 1 1082 . 1 1 288 288 GLN H H 1 7.45 . . 1 . . . . . . . . 5474 1 1083 . 1 1 288 288 GLN C C 13 177.80 . . 1 . . . . . . . . 5474 1 1084 . 1 1 288 288 GLN CA C 13 57.40 . . 1 . . . . . . . . 5474 1 1085 . 1 1 288 288 GLN CB C 13 27.20 . . 1 . . . . . . . . 5474 1 1086 . 1 1 289 289 ASP N N 15 119.34 . . 1 . . . . . . . . 5474 1 1087 . 1 1 289 289 ASP H H 1 7.70 . . 1 . . . . . . . . 5474 1 1088 . 1 1 289 289 ASP C C 13 178.18 . . 1 . . . . . . . . 5474 1 1089 . 1 1 289 289 ASP CA C 13 55.94 . . 1 . . . . . . . . 5474 1 1090 . 1 1 289 289 ASP CB C 13 39.72 . . 1 . . . . . . . . 5474 1 1091 . 1 1 290 290 GLN N N 15 119.63 . . 1 . . . . . . . . 5474 1 1092 . 1 1 290 290 GLN H H 1 7.45 . . 1 . . . . . . . . 5474 1 1093 . 1 1 290 290 GLN C C 13 177.77 . . 1 . . . . . . . . 5474 1 1094 . 1 1 290 290 GLN CA C 13 57.35 . . 1 . . . . . . . . 5474 1 1095 . 1 1 290 290 GLN CB C 13 27.51 . . 1 . . . . . . . . 5474 1 1096 . 1 1 291 291 TRP N N 15 119.45 . . 1 . . . . . . . . 5474 1 1097 . 1 1 291 291 TRP H H 1 8.00 . . 1 . . . . . . . . 5474 1 1098 . 1 1 291 291 TRP C C 13 178.24 . . 1 . . . . . . . . 5474 1 1099 . 1 1 291 291 TRP CA C 13 57.50 . . 1 . . . . . . . . 5474 1 1100 . 1 1 291 291 TRP CB C 13 27.85 . . 1 . . . . . . . . 5474 1 1101 . 1 1 292 292 LYS N N 15 119.91 . . 1 . . . . . . . . 5474 1 1102 . 1 1 292 292 LYS H H 1 7.60 . . 1 . . . . . . . . 5474 1 1103 . 1 1 292 292 LYS C C 13 178.26 . . 1 . . . . . . . . 5474 1 1104 . 1 1 292 292 LYS CA C 13 58.34 . . 1 . . . . . . . . 5474 1 1105 . 1 1 292 292 LYS CB C 13 31.70 . . 1 . . . . . . . . 5474 1 1106 . 1 1 293 293 GLU N N 15 120.30 . . 1 . . . . . . . . 5474 1 1107 . 1 1 293 293 GLU H H 1 7.83 . . 1 . . . . . . . . 5474 1 1108 . 1 1 293 293 GLU C C 13 178.34 . . 1 . . . . . . . . 5474 1 1109 . 1 1 293 293 GLU CA C 13 57.86 . . 1 . . . . . . . . 5474 1 1110 . 1 1 293 293 GLU CB C 13 29.00 . . 1 . . . . . . . . 5474 1 1111 . 1 1 294 294 LEU N N 15 119.68 . . 1 . . . . . . . . 5474 1 1112 . 1 1 294 294 LEU H H 1 8.18 . . 1 . . . . . . . . 5474 1 1113 . 1 1 294 294 LEU C C 13 178.05 . . 1 . . . . . . . . 5474 1 1114 . 1 1 294 294 LEU CA C 13 55.50 . . 1 . . . . . . . . 5474 1 1115 . 1 1 294 294 LEU CB C 13 41.34 . . 1 . . . . . . . . 5474 1 1116 . 1 1 295 295 SER N N 15 113.95 . . 1 . . . . . . . . 5474 1 1117 . 1 1 295 295 SER H H 1 7.84 . . 1 . . . . . . . . 5474 1 1118 . 1 1 295 295 SER C C 13 174.05 . . 1 . . . . . . . . 5474 1 1119 . 1 1 295 295 SER CA C 13 58.74 . . 1 . . . . . . . . 5474 1 1120 . 1 1 295 295 SER CB C 13 63.12 . . 1 . . . . . . . . 5474 1 1121 . 1 1 296 296 HIS C C 13 175.35 . . 1 . . . . . . . . 5474 1 1122 . 1 1 296 296 HIS CA C 13 55.67 . . 1 . . . . . . . . 5474 1 1123 . 1 1 296 296 HIS CB C 13 27.64 . . 1 . . . . . . . . 5474 1 1124 . 1 1 297 297 GLU N N 15 120.13 . . 1 . . . . . . . . 5474 1 1125 . 1 1 297 297 GLU H H 1 8.20 . . 1 . . . . . . . . 5474 1 1126 . 1 1 297 297 GLU C C 13 175.08 . . 1 . . . . . . . . 5474 1 1127 . 1 1 297 297 GLU CA C 13 57.05 . . 1 . . . . . . . . 5474 1 1128 . 1 1 297 297 GLU CB C 13 29.91 . . 1 . . . . . . . . 5474 1 1129 . 1 1 298 298 ASP N N 15 124.73 . . 1 . . . . . . . . 5474 1 1130 . 1 1 298 298 ASP H H 1 7.82 . . 1 . . . . . . . . 5474 1 1131 . 1 1 298 298 ASP C C 13 180.82 . . 1 . . . . . . . . 5474 1 1132 . 1 1 298 298 ASP CA C 13 55.63 . . 1 . . . . . . . . 5474 1 1133 . 1 1 298 298 ASP CB C 13 41.81 . . 1 . . . . . . . . 5474 1 stop_ save_