data_7239 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7239 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'NMR Investigation of Tyr105 Mutants in TEM-1 beta-lactamase' 'Mutant comparison' "Backbone 1H, 15N and 13C' assignments of mutants Y105W, Y105G, Y105N and Y105D of TEM-1 beta-lactamase" 7239 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'Backbone assignment' 7239 1 . 'Class A beta-lactamase' 7239 1 . 'Mutant comparison' 7239 1 . TEM-1 7239 1 . Tyr105 7239 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7239 _Entry.Title ; NMR Investigation of Tyr105 Mutants in TEM-1 beta-lactamase Suggests Active-Site Dynamical Coupling ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-18 _Entry.Accession_date 2006-07-18 _Entry.Last_release_date 2007-01-09 _Entry.Original_release_date 2007-01-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Nicolas Doucet . . . 7239 2 Pierre-Yves Savard . . . 7239 3 Joelle Pelletier . N. . 7239 4 Stephane Gagne . M. . 7239 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Universite de Montreal' . 7239 . . 'Universite Laval' . 7239 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7239 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 248 7239 '15N chemical shifts' 248 7239 '1H chemical shifts' 248 7239 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-01-09 2006-07-18 original author . 7239 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 6024 'TEM-1 beta-lactamase, E28G mutant' 7239 . 6357 'TEM-1 beta-lactamase, wild type' 7239 . 7236 'TEM-1 beta-lactamase, mutant Y105W' 7239 . 7237 'TEM-1 beta-lactamase, mutant Y105G' 7239 . 7238 'TEM-1 beta-lactamase, mutant Y105N' 7239 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 7239 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16981701 _Citation.Full_citation . _Citation.Title 'Backbone dynamics of TEM-1 determined by NMR: evidence for a highly ordered protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 38 _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 11414 _Citation.Page_last 11424 _Citation.Year 2006 _Citation.Details 'The first and second authors contributed equally to this work.' 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 Pierre-Yves Savard . . . 7239 1 2 Stephane Gagne . M. . 7239 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '15N relaxation' 7239 1 'Enzyme dynamics' 7239 1 NMR 7239 1 'TEM-1 beta-lactamase' 7239 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7239 _Assembly.ID 1 _Assembly.Name 'Mutants Y105D of TEM-1 beta-lactamase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 29000 _Assembly.Enzyme_commission_number 3.5.2.6 _Assembly.Details 'Four different mutants of the protein TEM-1 in four entries.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7239 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 'TEM-1 Y105D' 1 $TEM-1_beta-lactamase . . yes native no no . . 'Mutant Y105D of TEM-1 beta-lactamase' 7239 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 disulfide single . 1 . 1 CYS 52 52 SG . 1 . 1 CYS 98 98 SG . . . . . . . . . . 7239 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Cyclic amide hydrolase (beta-lactamase) (E.C. 3.5.2.6)' 7239 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TEM-1_beta-lactamase _Entity.Sf_category entity _Entity.Sf_framecode TEM-1_beta-lactamase _Entity.Entry_ID 7239 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TEM-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details 'Cyclic amide hydrolase (E.C. 3.5.2.6)' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HPETLVKVKDAEDQLGARVG YIELDLNSGKILESFRPEER FPMMSTFKVLLCGAVLSRVD AGQEQLGRRIHYSQNDLVED SPVTEKHLTDGMTVRELCSA AITMSDNTAANLLLTTIGGP KELTAFLHNMGDHVTRLDRW EPELNEAIPNDERDTTMPAA MATTLRKLLTGELLTLASRQ QLIDWMEADKVAGPLLRSAL PAGWFIADKSGAGERGSRGI IAALGPDGKPSRIVVIYTTG SQATMDERNRQIAEIGASLI KHW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The sequence numbering starts at H26 and is sequential to W288.' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 263 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16392 . TEM-1 . . . . . 100.00 286 99.24 99.24 0.00e+00 . . . . 7239 1 2 no BMRB 6024 . "TEM-1 beta-lactamase" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 3 no BMRB 6357 . TEM-1 . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 7239 1 4 no BMRB 7236 . TEM-1_beta-lactamase . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 7239 1 5 no BMRB 7237 . TEM-1_beta-lactamase . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 7239 1 6 no BMRB 7238 . TEM-1_beta-lactamase . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 7239 1 7 no PDB 1AXB . "Tem-1 Beta-Lactamase From Escherichia Coli Inhibited With An Acylation Transition State Analog" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 7239 1 8 no PDB 1BT5 . "Crystal Structure Of The Imipenem Inhibited Tem-1 Beta-Lactamase From Escherichia Coli" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 7239 1 9 no PDB 1BTL . "Crystal Structure Of Escherichia Coli Tem1 Beta-Lactamase At 1.8 Angstroms Resolution" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 7239 1 10 no PDB 1CK3 . "N276d Mutant Of Escherichia Coli Tem-1 Beta-Lactamase" . . . . . 100.00 263 98.48 99.24 0.00e+00 . . . . 7239 1 11 no PDB 1ERM . "X-Ray Crystal Structure Of Tem-1 Beta Lactamase In Complex With A Designed Boronic Acid Inhibitor (1r)-1-Acetamido-2-(3-Carboxy" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 12 no PDB 1ERO . "X-Ray Crystal Structure Of Tem-1 Beta Lactamase In Complex With A Designed Boronic Acid Inhibitor (1r)-2- Phenylacetamido-2-(3-" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 7239 1 13 no PDB 1ERQ . "X-Ray Crystal Structure Of Tem-1 Beta Lactamase In Complex With A Designed Boronic Acid Inhibitor (1r)-1-Acetamido-2- (3-Carbox" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 7239 1 14 no PDB 1ESU . "S235a Mutant Of Tem1 Beta-Lactamase" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 7239 1 15 no PDB 1FQG . "Molecular Structure Of The Acyl-Enzyme Intermediate In Tem- 1 Beta-Lactamase" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 16 no PDB 1HTZ . "Crystal Structure Of Tem52 Beta-Lactamase" . . . . . 100.00 263 98.48 98.86 0.00e+00 . . . . 7239 1 17 no PDB 1JTD . "Crystal Structure Of Beta-Lactamase Inhibitor Protein-Ii In Complex With Tem-1 Beta-Lactamase" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 18 no PDB 1JTG . "Crystal Structure Of Tem-1 Beta-lactamase / Beta-lactamase Inhibitor Protein Complex" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 7239 1 19 no PDB 1JVJ . "Crystal Structure Of N132a Mutant Of Tem-1 Beta-Lactamase In Complex With A N-Formimidoyl-Thienamycine" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 20 no PDB 1JWP . "Structure Of M182t Mutant Of Tem-1 Beta-Lactamase" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 21 no PDB 1JWV . "Crystal Structure Of G238a Mutant Of Tem-1 Beta-Lactamase In Complex With A Boronic Acid Inhibitor (Sefb4)" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 22 no PDB 1JWZ . "Crystal Structure Of Tem-64 Beta-Lactamase In Complex With A Boronic Acid Inhibitor (105)" . . . . . 100.00 263 98.48 98.86 0.00e+00 . . . . 7239 1 23 no PDB 1LHY . "Crystal Structure Of Tem-30 Beta-lactamase At 2.0 Angstrom" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 24 no PDB 1LI0 . "Crystal Structure Of Tem-32 Beta-Lactamase At 1.6 Angstrom" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 7239 1 25 no PDB 1LI9 . "Crystal Structure Of Tem-34 Beta-lactamase At 1.5 Angstrom" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 7239 1 26 no PDB 1M40 . "Ultra High Resolution Crystal Structure Of Tem-1" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 27 no PDB 1NXY . "Crystal Structure Of The Complex Between M182t Mutant Of Tem-1 And A Boronic Acid Inhibitor (Sm2)" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 28 no PDB 1NY0 . "Crystal Structure Of The Complex Between M182t Mutant Of Tem-1 And A Boronic Acid Inhibitor (Nbf)" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 29 no PDB 1NYM . "Crystal Structure Of The Complex Between M182t Mutant Of Tem-1 And A Boronic Acid Inhibitor (Cxb)" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 30 no PDB 1NYY . "Crystal Structure Of The Complex Between M182t Mutant Of Tem-1 And A Boronic Acid Inhibitor (105)" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 31 no PDB 1PZO . "Tem-1 Beta-lactamase In Complex With A Novel, Core- Disrupting, Allosteric Inhibitor" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 32 no PDB 1PZP . "Tem-1 Beta-Lactamase In Complex With A Novel, Core- Disrupting, Allosteric Inhibitor" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 33 no PDB 1S0W . "1b Lactamse B LACTAMASE INHIBITOR" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 7239 1 34 no PDB 1TEM . "6 Alpha Hydroxymethyl Penicilloic Acid Acylated On The Tem- 1 Beta-Lactamase From Escherichia Coli" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 7239 1 35 no PDB 1XPB . "Structure Of Beta-Lactamase Tem1" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 7239 1 36 no PDB 1XXM . "The Modular Architecture Of Protein-Protein Binding Site" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 7239 1 37 no PDB 1YT4 . "Crystal Structure Of Tem-76 Beta-Lactamase At 1.4 Angstrom Resolution" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 38 no PDB 1ZG4 . "Tem1 Beta Lactamase" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 7239 1 39 no PDB 1ZG6 . "Tem1 Beta Lactamase Mutant S70g" . . . . . 100.00 286 98.48 98.86 0.00e+00 . . . . 7239 1 40 no PDB 2B5R . "1b Lactamase B LACTAMASE INHIBITOR" . . . . . 100.00 263 98.86 99.62 0.00e+00 . . . . 7239 1 41 no PDB 3C7U . "Structural Insight Into The Kinetics And Cp Of Interactions Between Tem-1-Lactamase And Blip" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 7239 1 42 no PDB 3C7V . "Structural Insight Into The Kinetics And Delta-Cp Of Interactions Between Tem-1 Beta-Lactamase And Blip" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 7239 1 43 no PDB 3CMZ . "Tem-1 Class-A Beta-Lactamase L201p Mutant Apo Structure" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 44 no PDB 3GMW . "Crystal Structure Of Beta-Lactamse Inhibitory Protein-I (Blip-I) In Complex With Tem-1 Beta-Lactamase" . . . . . 99.24 261 99.23 99.23 0.00e+00 . . . . 7239 1 45 no PDB 3JYI . "Structural And Biochemical Evidence That A Tem-1 {beta}- Lactamase Asn170gly Active Site Mutant Acts Via Substrate- Assisted Ca" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 7239 1 46 no PDB 3P98 . "The Crystal Structure Of The Extended Spectrum Beta-Lactamase Tem-72 Reveals Inhibition By Citrate" . . . . . 100.00 286 98.10 98.86 0.00e+00 . . . . 7239 1 47 no PDB 4GKU . "Crystal Structure Of Beta Lactamase In Pet-15b" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 7239 1 48 no PDB 4IBX . "Crystal Structure Of Stabilized Tem-1 Beta-lactamase Variant V.13" . . . . . 100.00 263 96.96 96.96 0.00e+00 . . . . 7239 1 49 no PDB 4MEZ . "Crystal Structure Of M68l/m69t Double Mutant Tem-1" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 7239 1 50 no DBJ BAA00795 . "ampicillin resistance protein [Shuttle vector pHY320PLK]" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 7239 1 51 no DBJ BAA03488 . "beta-lactamase [Cloning vector pKF2]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 7239 1 52 no DBJ BAA12825 . "beta-lactamase [Cloning vector pBEN66]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 7239 1 53 no DBJ BAA14388 . "Ap resistance protein [synthetic construct]" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 7239 1 54 no DBJ BAA19239 . "beta-lactamase [Cloning vector pBEN77]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 7239 1 55 no EMBL CAA04868 . "beta-lactamase [Escherichia coli]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 7239 1 56 no EMBL CAA05682 . "beta-lactamase [synthetic construct]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 7239 1 57 no EMBL CAA05685 . "beta-lactamase [synthetic construct]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 7239 1 58 no EMBL CAA05686 . "beta-lactamase [synthetic construct]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 7239 1 59 no EMBL CAA05689 . "beta-lactamase [synthetic construct]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 7239 1 60 no GB AAA24057 . "beta-lactamase [Escherichia coli]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 7239 1 61 no GB AAA25053 . "TEM-26B beta-lactamase [Klebsiella oxytoca]" . . . . . 100.00 286 99.24 99.24 0.00e+00 . . . . 7239 1 62 no GB AAA32208 . "ampicillinase, partial [Enterobacteria phage f1]" . . . . . 76.81 225 99.50 99.50 2.36e-142 . . . . 7239 1 63 no GB AAA53119 . "beta-lactamase [unidentified cloning vector]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 7239 1 64 no GB AAA53121 . "beta-lactamase [unidentified cloning vector]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 7239 1 65 no PIR S60310 . "extended spectrum beta-lactamase CAZ-2 - Klebsiella pneumoniae" . . . . . 100.00 286 98.10 98.86 0.00e+00 . . . . 7239 1 66 no PIR S60312 . "extended spectrum beta-lactamase CAZ-7 - Klebsiella pneumoniae" . . . . . 100.00 286 98.48 99.24 0.00e+00 . . . . 7239 1 67 no PIR T51301 . "beta-lactamase (EC 3.5.2.6) - fission yeast (Schizosaccharomyces pombe)" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 7239 1 68 no PRF 2018199A . "beta lactamase IRT-4" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 7239 1 69 no REF NP_052173 . "beta-lactamase [Neisseria gonorrhoeae]" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 7239 1 70 no REF NP_569411 . "beta-lactamase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 7239 1 71 no REF NP_608310 . "TEM beta-lactamase [Klebsiella pneumoniae]" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 7239 1 72 no REF NP_758767 . "beta lactamase [Erwinia amylovora ATCC BAA-2158]" . . . . . 98.48 283 97.68 97.68 0.00e+00 . . . . 7239 1 73 no REF NP_775035 . "BlaTEM1 [Citrobacter freundii]" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 7239 1 74 no SP P62593 . "RecName: Full=Beta-lactamase TEM; AltName: Full=IRT-4; AltName: Full=Penicillinase; AltName: Full=TEM-1; AltName: Full=TEM-16/C" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 7239 1 75 no SP P62594 . "RecName: Full=Beta-lactamase TEM; AltName: Full=Penicillinase; Flags: Precursor [Salmonella enterica subsp. enterica serovar Ty" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 7239 1 76 no SP Q48406 . "RecName: Full=Beta-lactamase TEM-12; Flags: Precursor [Klebsiella oxytoca]" . . . . . 100.00 286 99.24 99.24 0.00e+00 . . . . 7239 1 77 no TPE CAJ85677 . "TPA: beta lactamase [Birmingham IncP-alpha plasmid]" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 7239 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID beta-lactamase 7239 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TEM-1 . 7239 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID TEM-1 . 7239 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 26 HIS . 7239 1 2 27 PRO . 7239 1 3 28 GLU . 7239 1 4 29 THR . 7239 1 5 30 LEU . 7239 1 6 31 VAL . 7239 1 7 32 LYS . 7239 1 8 33 VAL . 7239 1 9 34 LYS . 7239 1 10 35 ASP . 7239 1 11 36 ALA . 7239 1 12 37 GLU . 7239 1 13 38 ASP . 7239 1 14 39 GLN . 7239 1 15 40 LEU . 7239 1 16 41 GLY . 7239 1 17 42 ALA . 7239 1 18 43 ARG . 7239 1 19 44 VAL . 7239 1 20 45 GLY . 7239 1 21 46 TYR . 7239 1 22 47 ILE . 7239 1 23 48 GLU . 7239 1 24 49 LEU . 7239 1 25 50 ASP . 7239 1 26 51 LEU . 7239 1 27 52 ASN . 7239 1 28 53 SER . 7239 1 29 54 GLY . 7239 1 30 55 LYS . 7239 1 31 56 ILE . 7239 1 32 57 LEU . 7239 1 33 58 GLU . 7239 1 34 59 SER . 7239 1 35 60 PHE . 7239 1 36 61 ARG . 7239 1 37 62 PRO . 7239 1 38 63 GLU . 7239 1 39 64 GLU . 7239 1 40 65 ARG . 7239 1 41 66 PHE . 7239 1 42 67 PRO . 7239 1 43 68 MET . 7239 1 44 69 MET . 7239 1 45 70 SER . 7239 1 46 71 THR . 7239 1 47 72 PHE . 7239 1 48 73 LYS . 7239 1 49 74 VAL . 7239 1 50 75 LEU . 7239 1 51 76 LEU . 7239 1 52 77 CYS . 7239 1 53 78 GLY . 7239 1 54 79 ALA . 7239 1 55 80 VAL . 7239 1 56 81 LEU . 7239 1 57 82 SER . 7239 1 58 83 ARG . 7239 1 59 84 VAL . 7239 1 60 85 ASP . 7239 1 61 86 ALA . 7239 1 62 87 GLY . 7239 1 63 88 GLN . 7239 1 64 89 GLU . 7239 1 65 90 GLN . 7239 1 66 91 LEU . 7239 1 67 92 GLY . 7239 1 68 93 ARG . 7239 1 69 94 ARG . 7239 1 70 95 ILE . 7239 1 71 96 HIS . 7239 1 72 97 TYR . 7239 1 73 98 SER . 7239 1 74 99 GLN . 7239 1 75 100 ASN . 7239 1 76 101 ASP . 7239 1 77 102 LEU . 7239 1 78 103 VAL . 7239 1 79 104 GLU . 7239 1 80 105 ASP . 7239 1 81 106 SER . 7239 1 82 107 PRO . 7239 1 83 108 VAL . 7239 1 84 109 THR . 7239 1 85 110 GLU . 7239 1 86 111 LYS . 7239 1 87 112 HIS . 7239 1 88 113 LEU . 7239 1 89 114 THR . 7239 1 90 115 ASP . 7239 1 91 116 GLY . 7239 1 92 117 MET . 7239 1 93 118 THR . 7239 1 94 119 VAL . 7239 1 95 120 ARG . 7239 1 96 121 GLU . 7239 1 97 122 LEU . 7239 1 98 123 CYS . 7239 1 99 124 SER . 7239 1 100 125 ALA . 7239 1 101 126 ALA . 7239 1 102 127 ILE . 7239 1 103 128 THR . 7239 1 104 129 MET . 7239 1 105 130 SER . 7239 1 106 131 ASP . 7239 1 107 132 ASN . 7239 1 108 133 THR . 7239 1 109 134 ALA . 7239 1 110 135 ALA . 7239 1 111 136 ASN . 7239 1 112 137 LEU . 7239 1 113 138 LEU . 7239 1 114 139 LEU . 7239 1 115 140 THR . 7239 1 116 141 THR . 7239 1 117 142 ILE . 7239 1 118 143 GLY . 7239 1 119 144 GLY . 7239 1 120 145 PRO . 7239 1 121 146 LYS . 7239 1 122 147 GLU . 7239 1 123 148 LEU . 7239 1 124 149 THR . 7239 1 125 150 ALA . 7239 1 126 151 PHE . 7239 1 127 152 LEU . 7239 1 128 153 HIS . 7239 1 129 154 ASN . 7239 1 130 155 MET . 7239 1 131 156 GLY . 7239 1 132 157 ASP . 7239 1 133 158 HIS . 7239 1 134 159 VAL . 7239 1 135 160 THR . 7239 1 136 161 ARG . 7239 1 137 162 LEU . 7239 1 138 163 ASP . 7239 1 139 164 ARG . 7239 1 140 165 TRP . 7239 1 141 166 GLU . 7239 1 142 167 PRO . 7239 1 143 168 GLU . 7239 1 144 169 LEU . 7239 1 145 170 ASN . 7239 1 146 171 GLU . 7239 1 147 172 ALA . 7239 1 148 173 ILE . 7239 1 149 174 PRO . 7239 1 150 175 ASN . 7239 1 151 176 ASP . 7239 1 152 177 GLU . 7239 1 153 178 ARG . 7239 1 154 179 ASP . 7239 1 155 180 THR . 7239 1 156 181 THR . 7239 1 157 182 MET . 7239 1 158 183 PRO . 7239 1 159 184 ALA . 7239 1 160 185 ALA . 7239 1 161 186 MET . 7239 1 162 187 ALA . 7239 1 163 188 THR . 7239 1 164 189 THR . 7239 1 165 190 LEU . 7239 1 166 191 ARG . 7239 1 167 192 LYS . 7239 1 168 193 LEU . 7239 1 169 194 LEU . 7239 1 170 195 THR . 7239 1 171 196 GLY . 7239 1 172 197 GLU . 7239 1 173 198 LEU . 7239 1 174 199 LEU . 7239 1 175 200 THR . 7239 1 176 201 LEU . 7239 1 177 202 ALA . 7239 1 178 203 SER . 7239 1 179 204 ARG . 7239 1 180 205 GLN . 7239 1 181 206 GLN . 7239 1 182 207 LEU . 7239 1 183 208 ILE . 7239 1 184 209 ASP . 7239 1 185 210 TRP . 7239 1 186 211 MET . 7239 1 187 212 GLU . 7239 1 188 213 ALA . 7239 1 189 214 ASP . 7239 1 190 215 LYS . 7239 1 191 216 VAL . 7239 1 192 217 ALA . 7239 1 193 218 GLY . 7239 1 194 219 PRO . 7239 1 195 220 LEU . 7239 1 196 221 LEU . 7239 1 197 222 ARG . 7239 1 198 223 SER . 7239 1 199 224 ALA . 7239 1 200 225 LEU . 7239 1 201 226 PRO . 7239 1 202 227 ALA . 7239 1 203 228 GLY . 7239 1 204 229 TRP . 7239 1 205 230 PHE . 7239 1 206 231 ILE . 7239 1 207 232 ALA . 7239 1 208 233 ASP . 7239 1 209 234 LYS . 7239 1 210 235 SER . 7239 1 211 236 GLY . 7239 1 212 237 ALA . 7239 1 213 238 GLY . 7239 1 214 239 GLU . 7239 1 215 240 ARG . 7239 1 216 241 GLY . 7239 1 217 242 SER . 7239 1 218 243 ARG . 7239 1 219 244 GLY . 7239 1 220 245 ILE . 7239 1 221 246 ILE . 7239 1 222 247 ALA . 7239 1 223 248 ALA . 7239 1 224 249 LEU . 7239 1 225 250 GLY . 7239 1 226 251 PRO . 7239 1 227 252 ASP . 7239 1 228 253 GLY . 7239 1 229 254 LYS . 7239 1 230 255 PRO . 7239 1 231 256 SER . 7239 1 232 257 ARG . 7239 1 233 258 ILE . 7239 1 234 259 VAL . 7239 1 235 260 VAL . 7239 1 236 261 ILE . 7239 1 237 262 TYR . 7239 1 238 263 THR . 7239 1 239 264 THR . 7239 1 240 265 GLY . 7239 1 241 266 SER . 7239 1 242 267 GLN . 7239 1 243 268 ALA . 7239 1 244 269 THR . 7239 1 245 270 MET . 7239 1 246 271 ASP . 7239 1 247 272 GLU . 7239 1 248 273 ARG . 7239 1 249 274 ASN . 7239 1 250 275 ARG . 7239 1 251 276 GLN . 7239 1 252 277 ILE . 7239 1 253 278 ALA . 7239 1 254 279 GLU . 7239 1 255 280 ILE . 7239 1 256 281 GLY . 7239 1 257 282 ALA . 7239 1 258 283 SER . 7239 1 259 284 LEU . 7239 1 260 285 ILE . 7239 1 261 286 LYS . 7239 1 262 287 HIS . 7239 1 263 288 TRP . 7239 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 . HIS 1 1 7239 1 . PRO 2 2 7239 1 . GLU 3 3 7239 1 . THR 4 4 7239 1 . LEU 5 5 7239 1 . VAL 6 6 7239 1 . LYS 7 7 7239 1 . VAL 8 8 7239 1 . LYS 9 9 7239 1 . ASP 10 10 7239 1 . ALA 11 11 7239 1 . GLU 12 12 7239 1 . ASP 13 13 7239 1 . GLN 14 14 7239 1 . LEU 15 15 7239 1 . GLY 16 16 7239 1 . ALA 17 17 7239 1 . ARG 18 18 7239 1 . VAL 19 19 7239 1 . GLY 20 20 7239 1 . TYR 21 21 7239 1 . ILE 22 22 7239 1 . GLU 23 23 7239 1 . LEU 24 24 7239 1 . ASP 25 25 7239 1 . LEU 26 26 7239 1 . ASN 27 27 7239 1 . SER 28 28 7239 1 . GLY 29 29 7239 1 . LYS 30 30 7239 1 . ILE 31 31 7239 1 . LEU 32 32 7239 1 . GLU 33 33 7239 1 . SER 34 34 7239 1 . PHE 35 35 7239 1 . ARG 36 36 7239 1 . PRO 37 37 7239 1 . GLU 38 38 7239 1 . GLU 39 39 7239 1 . ARG 40 40 7239 1 . PHE 41 41 7239 1 . PRO 42 42 7239 1 . MET 43 43 7239 1 . MET 44 44 7239 1 . SER 45 45 7239 1 . THR 46 46 7239 1 . PHE 47 47 7239 1 . LYS 48 48 7239 1 . VAL 49 49 7239 1 . LEU 50 50 7239 1 . LEU 51 51 7239 1 . CYS 52 52 7239 1 . GLY 53 53 7239 1 . ALA 54 54 7239 1 . VAL 55 55 7239 1 . LEU 56 56 7239 1 . SER 57 57 7239 1 . ARG 58 58 7239 1 . VAL 59 59 7239 1 . ASP 60 60 7239 1 . ALA 61 61 7239 1 . GLY 62 62 7239 1 . GLN 63 63 7239 1 . GLU 64 64 7239 1 . GLN 65 65 7239 1 . LEU 66 66 7239 1 . GLY 67 67 7239 1 . ARG 68 68 7239 1 . ARG 69 69 7239 1 . ILE 70 70 7239 1 . HIS 71 71 7239 1 . TYR 72 72 7239 1 . SER 73 73 7239 1 . GLN 74 74 7239 1 . ASN 75 75 7239 1 . ASP 76 76 7239 1 . LEU 77 77 7239 1 . VAL 78 78 7239 1 . GLU 79 79 7239 1 . ASP 80 80 7239 1 . SER 81 81 7239 1 . PRO 82 82 7239 1 . VAL 83 83 7239 1 . THR 84 84 7239 1 . GLU 85 85 7239 1 . LYS 86 86 7239 1 . HIS 87 87 7239 1 . LEU 88 88 7239 1 . THR 89 89 7239 1 . ASP 90 90 7239 1 . GLY 91 91 7239 1 . MET 92 92 7239 1 . THR 93 93 7239 1 . VAL 94 94 7239 1 . ARG 95 95 7239 1 . GLU 96 96 7239 1 . LEU 97 97 7239 1 . CYS 98 98 7239 1 . SER 99 99 7239 1 . ALA 100 100 7239 1 . ALA 101 101 7239 1 . ILE 102 102 7239 1 . THR 103 103 7239 1 . MET 104 104 7239 1 . SER 105 105 7239 1 . ASP 106 106 7239 1 . ASN 107 107 7239 1 . THR 108 108 7239 1 . ALA 109 109 7239 1 . ALA 110 110 7239 1 . ASN 111 111 7239 1 . LEU 112 112 7239 1 . LEU 113 113 7239 1 . LEU 114 114 7239 1 . THR 115 115 7239 1 . THR 116 116 7239 1 . ILE 117 117 7239 1 . GLY 118 118 7239 1 . GLY 119 119 7239 1 . PRO 120 120 7239 1 . LYS 121 121 7239 1 . GLU 122 122 7239 1 . LEU 123 123 7239 1 . THR 124 124 7239 1 . ALA 125 125 7239 1 . PHE 126 126 7239 1 . LEU 127 127 7239 1 . HIS 128 128 7239 1 . ASN 129 129 7239 1 . MET 130 130 7239 1 . GLY 131 131 7239 1 . ASP 132 132 7239 1 . HIS 133 133 7239 1 . VAL 134 134 7239 1 . THR 135 135 7239 1 . ARG 136 136 7239 1 . LEU 137 137 7239 1 . ASP 138 138 7239 1 . ARG 139 139 7239 1 . TRP 140 140 7239 1 . GLU 141 141 7239 1 . PRO 142 142 7239 1 . GLU 143 143 7239 1 . LEU 144 144 7239 1 . ASN 145 145 7239 1 . GLU 146 146 7239 1 . ALA 147 147 7239 1 . ILE 148 148 7239 1 . PRO 149 149 7239 1 . ASN 150 150 7239 1 . ASP 151 151 7239 1 . GLU 152 152 7239 1 . ARG 153 153 7239 1 . ASP 154 154 7239 1 . THR 155 155 7239 1 . THR 156 156 7239 1 . MET 157 157 7239 1 . PRO 158 158 7239 1 . ALA 159 159 7239 1 . ALA 160 160 7239 1 . MET 161 161 7239 1 . ALA 162 162 7239 1 . THR 163 163 7239 1 . THR 164 164 7239 1 . LEU 165 165 7239 1 . ARG 166 166 7239 1 . LYS 167 167 7239 1 . LEU 168 168 7239 1 . LEU 169 169 7239 1 . THR 170 170 7239 1 . GLY 171 171 7239 1 . GLU 172 172 7239 1 . LEU 173 173 7239 1 . LEU 174 174 7239 1 . THR 175 175 7239 1 . LEU 176 176 7239 1 . ALA 177 177 7239 1 . SER 178 178 7239 1 . ARG 179 179 7239 1 . GLN 180 180 7239 1 . GLN 181 181 7239 1 . LEU 182 182 7239 1 . ILE 183 183 7239 1 . ASP 184 184 7239 1 . TRP 185 185 7239 1 . MET 186 186 7239 1 . GLU 187 187 7239 1 . ALA 188 188 7239 1 . ASP 189 189 7239 1 . LYS 190 190 7239 1 . VAL 191 191 7239 1 . ALA 192 192 7239 1 . GLY 193 193 7239 1 . PRO 194 194 7239 1 . LEU 195 195 7239 1 . LEU 196 196 7239 1 . ARG 197 197 7239 1 . SER 198 198 7239 1 . ALA 199 199 7239 1 . LEU 200 200 7239 1 . PRO 201 201 7239 1 . ALA 202 202 7239 1 . GLY 203 203 7239 1 . TRP 204 204 7239 1 . PHE 205 205 7239 1 . ILE 206 206 7239 1 . ALA 207 207 7239 1 . ASP 208 208 7239 1 . LYS 209 209 7239 1 . SER 210 210 7239 1 . GLY 211 211 7239 1 . ALA 212 212 7239 1 . GLY 213 213 7239 1 . GLU 214 214 7239 1 . ARG 215 215 7239 1 . GLY 216 216 7239 1 . SER 217 217 7239 1 . ARG 218 218 7239 1 . GLY 219 219 7239 1 . ILE 220 220 7239 1 . ILE 221 221 7239 1 . ALA 222 222 7239 1 . ALA 223 223 7239 1 . LEU 224 224 7239 1 . GLY 225 225 7239 1 . PRO 226 226 7239 1 . ASP 227 227 7239 1 . GLY 228 228 7239 1 . LYS 229 229 7239 1 . PRO 230 230 7239 1 . SER 231 231 7239 1 . ARG 232 232 7239 1 . ILE 233 233 7239 1 . VAL 234 234 7239 1 . VAL 235 235 7239 1 . ILE 236 236 7239 1 . TYR 237 237 7239 1 . THR 238 238 7239 1 . THR 239 239 7239 1 . GLY 240 240 7239 1 . SER 241 241 7239 1 . GLN 242 242 7239 1 . ALA 243 243 7239 1 . THR 244 244 7239 1 . MET 245 245 7239 1 . ASP 246 246 7239 1 . GLU 247 247 7239 1 . ARG 248 248 7239 1 . ASN 249 249 7239 1 . ARG 250 250 7239 1 . GLN 251 251 7239 1 . ILE 252 252 7239 1 . ALA 253 253 7239 1 . GLU 254 254 7239 1 . ILE 255 255 7239 1 . GLY 256 256 7239 1 . ALA 257 257 7239 1 . SER 258 258 7239 1 . LEU 259 259 7239 1 . ILE 260 260 7239 1 . LYS 261 261 7239 1 . HIS 262 262 7239 1 . TRP 263 263 7239 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7239 _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 $TEM-1_beta-lactamase . 562 organism no 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 7239 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 7239 _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 $TEM-1_beta-lactamase . 'recombinant technology' . 'E. coli' . 562 Escherichia coli BL21 DE3 . . . . . . . . . . . . . . . . . . . . . 7239 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7239 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM, pH 6.6 for all Y105X mutants' _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 'TEM-1 (Y105D)' '[U-13C; U-15N]' . . 1 $TEM-1_beta-lactamase . . 0.8 . . mM . . . . 7239 1 2 imidazole . . . . . . . 4 . . mM . . . . 7239 1 3 DSS . . . . . . . 0.1 . . mM . . . . 7239 1 4 H2O . . . . . . . 90 . . % . . . . 7239 1 5 D2O . . . . . . . 10 . . % . . . . 7239 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7239 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The enzymes were dissolved to a concentration of 0.8 mM in a 90 % H2O:10 % D2O solution containing 4 mM imidazole and 0.1 mM DSS (pH = 6.6). All NMR experiments were performed at 30?C on a Varian INOVA 600 spectrometer operating at a proton frequency of 599.739 MHz equipped with a z-axis gradient and a triple resonance cryoprobe. ; 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 6.6 0.2 pH 7239 1 temperature 303 0.2 K 7239 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7239 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1c _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian ; Varian Inc. 3120 Hansen Way Palo Alto, CA 94304-1030 USA ; http://www.varianinc.com 7239 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra acquisition' 7239 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7239 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Frank Delaglio (Ad Bax)' http://spin.niddk.nih.gov/NMRPipe/ http://spin.niddk.nih.gov/bax/people/delaglio.html 7239 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Transform/process data' 7239 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 7239 _Software.ID 3 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'One moon scientific' http://www.onemoonscientific.com/index.html http://www.onemoonscientific.com/index.html 7239 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'analyze data' 7239 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7239 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7239 _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 15N-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7239 1 2 3D-HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7239 1 3 3D-HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7239 1 4 3D-CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7239 1 stop_ save_ save_15N-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-HSQC _NMR_spec_expt.Entry_ID 7239 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D-HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-HNCO _NMR_spec_expt.Entry_ID 7239 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D-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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D-HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-HN(CO)CA _NMR_spec_expt.Entry_ID 7239 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 3D-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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D-CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-CBCA(CO)NH _NMR_spec_expt.Entry_ID 7239 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 3D-CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7239 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 . . . 1 $Citation_1 . . 1 $Citation_1 7239 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . 1 $Citation_1 . . 1 $Citation_1 7239 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . 1 $Citation_1 . . 1 $Citation_1 7239 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7239 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.15 _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 'same for all Y105X mutants' _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 15N-HSQC 1 $sample_1 isotropic 7239 1 2 3D-HNCO 1 $sample_1 isotropic 7239 1 3 3D-HN(CO)CA 1 $sample_1 isotropic 7239 1 4 3D-CBCA(CO)NH 1 $sample_1 isotropic 7239 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7239 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO C C 13 179.325 0.2 . 1 . . . . 27 PRO C . 7239 1 2 . 1 1 3 3 GLU H H 1 11.056 0.02 . 1 . . . . 28 GLU HN . 7239 1 3 . 1 1 3 3 GLU C C 13 179.540 0.2 . 1 . . . . 28 GLU C . 7239 1 4 . 1 1 3 3 GLU N N 15 121.727 0.15 . 1 . . . . 28 GLU N . 7239 1 5 . 1 1 4 4 THR H H 1 7.792 0.02 . 1 . . . . 29 THR HN . 7239 1 6 . 1 1 4 4 THR C C 13 176.038 0.2 . 1 . . . . 29 THR C . 7239 1 7 . 1 1 4 4 THR N N 15 118.863 0.15 . 1 . . . . 29 THR N . 7239 1 8 . 1 1 5 5 LEU H H 1 7.040 0.02 . 1 . . . . 30 LEU HN . 7239 1 9 . 1 1 5 5 LEU C C 13 179.021 0.2 . 1 . . . . 30 LEU C . 7239 1 10 . 1 1 5 5 LEU N N 15 120.121 0.15 . 1 . . . . 30 LEU N . 7239 1 11 . 1 1 6 6 VAL H H 1 7.505 0.02 . 1 . . . . 31 VAL HN . 7239 1 12 . 1 1 6 6 VAL C C 13 178.400 0.2 . 1 . . . . 31 VAL C . 7239 1 13 . 1 1 6 6 VAL N N 15 119.803 0.15 . 1 . . . . 31 VAL N . 7239 1 14 . 1 1 7 7 LYS H H 1 7.292 0.02 . 1 . . . . 32 LYS HN . 7239 1 15 . 1 1 7 7 LYS C C 13 178.397 0.2 . 1 . . . . 32 LYS C . 7239 1 16 . 1 1 7 7 LYS N N 15 119.451 0.15 . 1 . . . . 32 LYS N . 7239 1 17 . 1 1 8 8 VAL H H 1 8.302 0.02 . 1 . . . . 33 VAL HN . 7239 1 18 . 1 1 8 8 VAL C C 13 176.745 0.2 . 1 . . . . 33 VAL C . 7239 1 19 . 1 1 8 8 VAL N N 15 122.918 0.15 . 1 . . . . 33 VAL N . 7239 1 20 . 1 1 9 9 LYS H H 1 7.687 0.02 . 1 . . . . 34 LYS HN . 7239 1 21 . 1 1 9 9 LYS C C 13 179.292 0.2 . 1 . . . . 34 LYS C . 7239 1 22 . 1 1 9 9 LYS N N 15 118.621 0.15 . 1 . . . . 34 LYS N . 7239 1 23 . 1 1 10 10 ASP H H 1 8.333 0.02 . 1 . . . . 35 ASP HN . 7239 1 24 . 1 1 10 10 ASP C C 13 178.143 0.2 . 1 . . . . 35 ASP C . 7239 1 25 . 1 1 10 10 ASP N N 15 120.475 0.15 . 1 . . . . 35 ASP N . 7239 1 26 . 1 1 11 11 ALA H H 1 8.516 0.02 . 1 . . . . 36 ALA HN . 7239 1 27 . 1 1 11 11 ALA C C 13 179.557 0.2 . 1 . . . . 36 ALA C . 7239 1 28 . 1 1 11 11 ALA N N 15 122.220 0.15 . 1 . . . . 36 ALA N . 7239 1 29 . 1 1 12 12 GLU H H 1 7.958 0.02 . 1 . . . . 37 GLU HN . 7239 1 30 . 1 1 12 12 GLU C C 13 180.452 0.2 . 1 . . . . 37 GLU C . 7239 1 31 . 1 1 12 12 GLU N N 15 117.715 0.15 . 1 . . . . 37 GLU N . 7239 1 32 . 1 1 13 13 ASP H H 1 7.939 0.02 . 1 . . . . 38 ASP HN . 7239 1 33 . 1 1 13 13 ASP C C 13 179.154 0.2 . 1 . . . . 38 ASP C . 7239 1 34 . 1 1 13 13 ASP N N 15 119.975 0.15 . 1 . . . . 38 ASP N . 7239 1 35 . 1 1 14 14 GLN H H 1 8.863 0.02 . 1 . . . . 39 GLN HN . 7239 1 36 . 1 1 14 14 GLN C C 13 179.160 0.2 . 1 . . . . 39 GLN C . 7239 1 37 . 1 1 14 14 GLN N N 15 118.506 0.15 . 1 . . . . 39 GLN N . 7239 1 38 . 1 1 15 15 LEU H H 1 8.743 0.02 . 1 . . . . 40 LEU HN . 7239 1 39 . 1 1 15 15 LEU C C 13 178.978 0.2 . 1 . . . . 40 LEU C . 7239 1 40 . 1 1 15 15 LEU N N 15 114.397 0.15 . 1 . . . . 40 LEU N . 7239 1 41 . 1 1 16 16 GLY H H 1 8.104 0.02 . 1 . . . . 41 GLY HN . 7239 1 42 . 1 1 16 16 GLY C C 13 173.996 0.2 . 1 . . . . 41 GLY C . 7239 1 43 . 1 1 16 16 GLY N N 15 113.026 0.15 . 1 . . . . 41 GLY N . 7239 1 44 . 1 1 17 17 ALA H H 1 7.744 0.02 . 1 . . . . 42 ALA HN . 7239 1 45 . 1 1 17 17 ALA C C 13 174.880 0.2 . 1 . . . . 42 ALA C . 7239 1 46 . 1 1 17 17 ALA N N 15 119.588 0.15 . 1 . . . . 42 ALA N . 7239 1 47 . 1 1 18 18 ARG H H 1 7.627 0.02 . 1 . . . . 43 ARG HN . 7239 1 48 . 1 1 18 18 ARG C C 13 177.721 0.2 . 1 . . . . 43 ARG C . 7239 1 49 . 1 1 18 18 ARG N N 15 115.424 0.15 . 1 . . . . 43 ARG N . 7239 1 50 . 1 1 19 19 VAL H H 1 10.663 0.02 . 1 . . . . 44 VAL HN . 7239 1 51 . 1 1 19 19 VAL C C 13 172.697 0.2 . 1 . . . . 44 VAL C . 7239 1 52 . 1 1 19 19 VAL N N 15 128.472 0.15 . 1 . . . . 44 VAL N . 7239 1 53 . 1 1 20 20 GLY H H 1 8.877 0.02 . 1 . . . . 45 GLY HN . 7239 1 54 . 1 1 20 20 GLY C C 13 172.502 0.2 . 1 . . . . 45 GLY C . 7239 1 55 . 1 1 20 20 GLY N N 15 111.314 0.15 . 1 . . . . 45 GLY N . 7239 1 56 . 1 1 21 21 TYR H H 1 9.424 0.02 . 1 . . . . 46 TYR HN . 7239 1 57 . 1 1 21 21 TYR C C 13 174.040 0.2 . 1 . . . . 46 TYR C . 7239 1 58 . 1 1 21 21 TYR N N 15 124.079 0.15 . 1 . . . . 46 TYR N . 7239 1 59 . 1 1 22 22 ILE H H 1 8.040 0.02 . 1 . . . . 47 ILE HN . 7239 1 60 . 1 1 22 22 ILE C C 13 171.486 0.2 . 1 . . . . 47 ILE C . 7239 1 61 . 1 1 22 22 ILE N N 15 125.482 0.15 . 1 . . . . 47 ILE N . 7239 1 62 . 1 1 23 23 GLU H H 1 7.816 0.02 . 1 . . . . 48 GLU HN . 7239 1 63 . 1 1 23 23 GLU C C 13 175.011 0.2 . 1 . . . . 48 GLU C . 7239 1 64 . 1 1 23 23 GLU N N 15 123.496 0.15 . 1 . . . . 48 GLU N . 7239 1 65 . 1 1 24 24 LEU H H 1 9.699 0.02 . 1 . . . . 49 LEU HN . 7239 1 66 . 1 1 24 24 LEU C C 13 175.598 0.2 . 1 . . . . 49 LEU C . 7239 1 67 . 1 1 24 24 LEU N N 15 126.876 0.15 . 1 . . . . 49 LEU N . 7239 1 68 . 1 1 25 25 ASP H H 1 9.054 0.02 . 1 . . . . 50 ASP HN . 7239 1 69 . 1 1 25 25 ASP C C 13 176.790 0.2 . 1 . . . . 50 ASP C . 7239 1 70 . 1 1 25 25 ASP N N 15 126.648 0.15 . 1 . . . . 50 ASP N . 7239 1 71 . 1 1 26 26 LEU H H 1 8.239 0.02 . 1 . . . . 51 LEU HN . 7239 1 72 . 1 1 26 26 LEU C C 13 177.571 0.2 . 1 . . . . 51 LEU C . 7239 1 73 . 1 1 26 26 LEU N N 15 128.931 0.15 . 1 . . . . 51 LEU N . 7239 1 74 . 1 1 27 27 ASN H H 1 8.688 0.02 . 1 . . . . 52 ASN HN . 7239 1 75 . 1 1 27 27 ASN C C 13 176.951 0.2 . 1 . . . . 52 ASN C . 7239 1 76 . 1 1 27 27 ASN N N 15 116.619 0.15 . 1 . . . . 52 ASN N . 7239 1 77 . 1 1 28 28 SER H H 1 8.550 0.02 . 1 . . . . 53 SER HN . 7239 1 78 . 1 1 28 28 SER C C 13 176.487 0.2 . 1 . . . . 53 SER C . 7239 1 79 . 1 1 28 28 SER N N 15 112.837 0.15 . 1 . . . . 53 SER N . 7239 1 80 . 1 1 29 29 GLY H H 1 7.996 0.02 . 1 . . . . 54 GLY HN . 7239 1 81 . 1 1 29 29 GLY C C 13 172.356 0.2 . 1 . . . . 54 GLY C . 7239 1 82 . 1 1 29 29 GLY N N 15 112.237 0.15 . 1 . . . . 54 GLY N . 7239 1 83 . 1 1 30 30 LYS H H 1 7.679 0.02 . 1 . . . . 55 LYS HN . 7239 1 84 . 1 1 30 30 LYS C C 13 176.122 0.2 . 1 . . . . 55 LYS C . 7239 1 85 . 1 1 30 30 LYS N N 15 119.411 0.15 . 1 . . . . 55 LYS N . 7239 1 86 . 1 1 31 31 ILE H H 1 8.661 0.02 . 1 . . . . 56 ILE HN . 7239 1 87 . 1 1 31 31 ILE C C 13 176.121 0.2 . 1 . . . . 56 ILE C . 7239 1 88 . 1 1 31 31 ILE N N 15 124.908 0.15 . 1 . . . . 56 ILE N . 7239 1 89 . 1 1 32 32 LEU H H 1 8.930 0.02 . 1 . . . . 57 LEU HN . 7239 1 90 . 1 1 32 32 LEU C C 13 177.050 0.2 . 1 . . . . 57 LEU C . 7239 1 91 . 1 1 32 32 LEU N N 15 130.436 0.15 . 1 . . . . 57 LEU N . 7239 1 92 . 1 1 33 33 GLU H H 1 7.538 0.02 . 1 . . . . 58 GLU HN . 7239 1 93 . 1 1 33 33 GLU C C 13 174.657 0.2 . 1 . . . . 58 GLU C . 7239 1 94 . 1 1 33 33 GLU N N 15 115.934 0.15 . 1 . . . . 58 GLU N . 7239 1 95 . 1 1 34 34 SER H H 1 9.002 0.02 . 1 . . . . 59 SER HN . 7239 1 96 . 1 1 34 34 SER C C 13 171.970 0.2 . 1 . . . . 59 SER C . 7239 1 97 . 1 1 34 34 SER N N 15 115.529 0.15 . 1 . . . . 59 SER N . 7239 1 98 . 1 1 35 35 PHE H H 1 9.544 0.02 . 1 . . . . 60 PHE HN . 7239 1 99 . 1 1 35 35 PHE C C 13 173.299 0.2 . 1 . . . . 60 PHE C . 7239 1 100 . 1 1 35 35 PHE N N 15 122.363 0.15 . 1 . . . . 60 PHE N . 7239 1 101 . 1 1 36 36 ARG H H 1 8.761 0.02 . 1 . . . . 61 ARG HN . 7239 1 102 . 1 1 36 36 ARG N N 15 121.815 0.15 . 1 . . . . 61 ARG N . 7239 1 103 . 1 1 37 37 PRO C C 13 177.505 0.2 . 1 . . . . 62 PRO C . 7239 1 104 . 1 1 38 38 GLU H H 1 8.481 0.02 . 1 . . . . 63 GLU HN . 7239 1 105 . 1 1 38 38 GLU C C 13 175.046 0.2 . 1 . . . . 63 GLU C . 7239 1 106 . 1 1 38 38 GLU N N 15 116.515 0.15 . 1 . . . . 63 GLU N . 7239 1 107 . 1 1 39 39 GLU H H 1 6.850 0.02 . 1 . . . . 64 GLU HN . 7239 1 108 . 1 1 39 39 GLU C C 13 174.864 0.2 . 1 . . . . 64 GLU C . 7239 1 109 . 1 1 39 39 GLU N N 15 117.308 0.15 . 1 . . . . 64 GLU N . 7239 1 110 . 1 1 40 40 ARG H H 1 8.297 0.02 . 1 . . . . 65 ARG HN . 7239 1 111 . 1 1 40 40 ARG C C 13 177.193 0.2 . 1 . . . . 65 ARG C . 7239 1 112 . 1 1 40 40 ARG N N 15 117.162 0.15 . 1 . . . . 65 ARG N . 7239 1 113 . 1 1 41 41 PHE H H 1 8.718 0.02 . 1 . . . . 66 PHE HN . 7239 1 114 . 1 1 41 41 PHE N N 15 117.739 0.15 . 1 . . . . 66 PHE N . 7239 1 115 . 1 1 42 42 PRO C C 13 176.152 0.2 . 1 . . . . 67 PRO C . 7239 1 116 . 1 1 43 43 MET H H 1 7.731 0.02 . 1 . . . . 68 MET HN . 7239 1 117 . 1 1 43 43 MET C C 13 179.796 0.2 . 1 . . . . 68 MET C . 7239 1 118 . 1 1 43 43 MET N N 15 119.026 0.15 . 1 . . . . 68 MET N . 7239 1 119 . 1 1 44 44 MET H H 1 10.492 0.02 . 1 . . . . 69 MET HN . 7239 1 120 . 1 1 44 44 MET N N 15 120.262 0.15 . 1 . . . . 69 MET N . 7239 1 121 . 1 1 45 45 SER C C 13 176.176 0.2 . 1 . . . . 70 SER C . 7239 1 122 . 1 1 46 46 THR H H 1 7.891 0.02 . 1 . . . . 71 THR HN . 7239 1 123 . 1 1 46 46 THR C C 13 175.216 0.2 . 1 . . . . 71 THR C . 7239 1 124 . 1 1 46 46 THR N N 15 111.541 0.15 . 1 . . . . 71 THR N . 7239 1 125 . 1 1 47 47 PHE H H 1 7.705 0.02 . 1 . . . . 72 PHE HN . 7239 1 126 . 1 1 47 47 PHE C C 13 176.617 0.2 . 1 . . . . 72 PHE C . 7239 1 127 . 1 1 47 47 PHE N N 15 116.805 0.15 . 1 . . . . 72 PHE N . 7239 1 128 . 1 1 48 48 LYS H H 1 7.469 0.02 . 1 . . . . 73 LYS HN . 7239 1 129 . 1 1 48 48 LYS C C 13 177.504 0.2 . 1 . . . . 73 LYS C . 7239 1 130 . 1 1 48 48 LYS N N 15 122.362 0.15 . 1 . . . . 73 LYS N . 7239 1 131 . 1 1 49 49 VAL H H 1 6.613 0.02 . 1 . . . . 74 VAL HN . 7239 1 132 . 1 1 49 49 VAL C C 13 175.971 0.2 . 1 . . . . 74 VAL C . 7239 1 133 . 1 1 49 49 VAL N N 15 115.657 0.15 . 1 . . . . 74 VAL N . 7239 1 134 . 1 1 50 50 LEU H H 1 6.691 0.02 . 1 . . . . 75 LEU HN . 7239 1 135 . 1 1 50 50 LEU C C 13 178.073 0.2 . 1 . . . . 75 LEU C . 7239 1 136 . 1 1 50 50 LEU N N 15 117.801 0.15 . 1 . . . . 75 LEU N . 7239 1 137 . 1 1 51 51 LEU H H 1 7.954 0.02 . 1 . . . . 76 LEU HN . 7239 1 138 . 1 1 51 51 LEU C C 13 177.232 0.2 . 1 . . . . 76 LEU C . 7239 1 139 . 1 1 51 51 LEU N N 15 116.759 0.15 . 1 . . . . 76 LEU N . 7239 1 140 . 1 1 52 52 CYS H H 1 7.539 0.02 . 1 . . . . 77 CYS HN . 7239 1 141 . 1 1 52 52 CYS C C 13 175.631 0.2 . 1 . . . . 77 CYS C . 7239 1 142 . 1 1 52 52 CYS N N 15 113.879 0.15 . 1 . . . . 77 CYS N . 7239 1 143 . 1 1 53 53 GLY H H 1 8.357 0.02 . 1 . . . . 78 GLY HN . 7239 1 144 . 1 1 53 53 GLY C C 13 173.100 0.2 . 1 . . . . 78 GLY C . 7239 1 145 . 1 1 53 53 GLY N N 15 111.019 0.15 . 1 . . . . 78 GLY N . 7239 1 146 . 1 1 54 54 ALA H H 1 7.799 0.02 . 1 . . . . 79 ALA HN . 7239 1 147 . 1 1 54 54 ALA C C 13 181.002 0.2 . 1 . . . . 79 ALA C . 7239 1 148 . 1 1 54 54 ALA N N 15 124.698 0.15 . 1 . . . . 79 ALA N . 7239 1 149 . 1 1 55 55 VAL H H 1 8.019 0.02 . 1 . . . . 80 VAL HN . 7239 1 150 . 1 1 55 55 VAL C C 13 178.001 0.2 . 1 . . . . 80 VAL C . 7239 1 151 . 1 1 55 55 VAL N N 15 119.446 0.15 . 1 . . . . 80 VAL N . 7239 1 152 . 1 1 56 56 LEU H H 1 8.490 0.02 . 1 . . . . 81 LEU HN . 7239 1 153 . 1 1 56 56 LEU C C 13 178.212 0.2 . 1 . . . . 81 LEU C . 7239 1 154 . 1 1 56 56 LEU N N 15 119.425 0.15 . 1 . . . . 81 LEU N . 7239 1 155 . 1 1 57 57 SER H H 1 8.169 0.02 . 1 . . . . 82 SER HN . 7239 1 156 . 1 1 57 57 SER C C 13 177.949 0.2 . 1 . . . . 82 SER C . 7239 1 157 . 1 1 57 57 SER N N 15 115.811 0.15 . 1 . . . . 82 SER N . 7239 1 158 . 1 1 58 58 ARG H H 1 7.488 0.02 . 1 . . . . 83 ARG HN . 7239 1 159 . 1 1 58 58 ARG C C 13 179.411 0.2 . 1 . . . . 83 ARG C . 7239 1 160 . 1 1 58 58 ARG N N 15 121.961 0.15 . 1 . . . . 83 ARG N . 7239 1 161 . 1 1 59 59 VAL H H 1 8.293 0.02 . 1 . . . . 84 VAL HN . 7239 1 162 . 1 1 59 59 VAL C C 13 180.808 0.2 . 1 . . . . 84 VAL C . 7239 1 163 . 1 1 59 59 VAL N N 15 124.437 0.15 . 1 . . . . 84 VAL N . 7239 1 164 . 1 1 60 60 ASP H H 1 9.083 0.02 . 1 . . . . 85 ASP HN . 7239 1 165 . 1 1 60 60 ASP C C 13 177.734 0.2 . 1 . . . . 85 ASP C . 7239 1 166 . 1 1 60 60 ASP N N 15 123.448 0.15 . 1 . . . . 85 ASP N . 7239 1 167 . 1 1 61 61 ALA H H 1 7.500 0.02 . 1 . . . . 86 ALA HN . 7239 1 168 . 1 1 61 61 ALA C C 13 177.874 0.2 . 1 . . . . 86 ALA C . 7239 1 169 . 1 1 61 61 ALA N N 15 118.588 0.15 . 1 . . . . 86 ALA N . 7239 1 170 . 1 1 62 62 GLY H H 1 8.199 0.02 . 1 . . . . 87 GLY HN . 7239 1 171 . 1 1 62 62 GLY C C 13 174.913 0.2 . 1 . . . . 87 GLY C . 7239 1 172 . 1 1 62 62 GLY N N 15 107.650 0.15 . 1 . . . . 87 GLY N . 7239 1 173 . 1 1 63 63 GLN H H 1 8.387 0.02 . 1 . . . . 88 GLN HN . 7239 1 174 . 1 1 63 63 GLN C C 13 173.530 0.2 . 1 . . . . 88 GLN C . 7239 1 175 . 1 1 63 63 GLN N N 15 117.288 0.15 . 1 . . . . 88 GLN N . 7239 1 176 . 1 1 64 64 GLU H H 1 7.349 0.02 . 1 . . . . 89 GLU HN . 7239 1 177 . 1 1 64 64 GLU C C 13 172.714 0.2 . 1 . . . . 89 GLU C . 7239 1 178 . 1 1 64 64 GLU N N 15 118.013 0.15 . 1 . . . . 89 GLU N . 7239 1 179 . 1 1 65 65 GLN H H 1 10.076 0.02 . 1 . . . . 90 GLN HN . 7239 1 180 . 1 1 65 65 GLN C C 13 176.034 0.2 . 1 . . . . 90 GLN C . 7239 1 181 . 1 1 65 65 GLN N N 15 125.201 0.15 . 1 . . . . 90 GLN N . 7239 1 182 . 1 1 66 66 LEU H H 1 9.055 0.02 . 1 . . . . 91 LEU HN . 7239 1 183 . 1 1 66 66 LEU C C 13 177.362 0.2 . 1 . . . . 91 LEU C . 7239 1 184 . 1 1 66 66 LEU N N 15 122.965 0.15 . 1 . . . . 91 LEU N . 7239 1 185 . 1 1 67 67 GLY H H 1 8.380 0.02 . 1 . . . . 92 GLY HN . 7239 1 186 . 1 1 67 67 GLY C C 13 173.845 0.2 . 1 . . . . 92 GLY C . 7239 1 187 . 1 1 67 67 GLY N N 15 102.070 0.15 . 1 . . . . 92 GLY N . 7239 1 188 . 1 1 68 68 ARG H H 1 7.337 0.02 . 1 . . . . 93 ARG HN . 7239 1 189 . 1 1 68 68 ARG C C 13 174.696 0.2 . 1 . . . . 93 ARG C . 7239 1 190 . 1 1 68 68 ARG N N 15 122.510 0.15 . 1 . . . . 93 ARG N . 7239 1 191 . 1 1 69 69 ARG H H 1 8.532 0.02 . 1 . . . . 94 ARG HN . 7239 1 192 . 1 1 69 69 ARG C C 13 174.524 0.2 . 1 . . . . 94 ARG C . 7239 1 193 . 1 1 69 69 ARG N N 15 127.312 0.15 . 1 . . . . 94 ARG N . 7239 1 194 . 1 1 70 70 ILE H H 1 9.102 0.02 . 1 . . . . 95 ILE HN . 7239 1 195 . 1 1 70 70 ILE C C 13 174.537 0.2 . 1 . . . . 95 ILE C . 7239 1 196 . 1 1 70 70 ILE N N 15 130.340 0.15 . 1 . . . . 95 ILE N . 7239 1 197 . 1 1 71 71 HIS H H 1 8.461 0.02 . 1 . . . . 96 HIS HN . 7239 1 198 . 1 1 71 71 HIS C C 13 174.111 0.2 . 1 . . . . 96 HIS C . 7239 1 199 . 1 1 71 71 HIS N N 15 124.751 0.15 . 1 . . . . 96 HIS N . 7239 1 200 . 1 1 72 72 TYR H H 1 8.500 0.02 . 1 . . . . 97 TYR HN . 7239 1 201 . 1 1 72 72 TYR C C 13 173.002 0.2 . 1 . . . . 97 TYR C . 7239 1 202 . 1 1 72 72 TYR N N 15 120.997 0.15 . 1 . . . . 97 TYR N . 7239 1 203 . 1 1 73 73 SER H H 1 9.433 0.02 . 1 . . . . 98 SER HN . 7239 1 204 . 1 1 73 73 SER C C 13 175.678 0.2 . 1 . . . . 98 SER C . 7239 1 205 . 1 1 73 73 SER N N 15 114.594 0.15 . 1 . . . . 98 SER N . 7239 1 206 . 1 1 74 74 GLN H H 1 9.076 0.02 . 1 . . . . 99 GLN HN . 7239 1 207 . 1 1 74 74 GLN C C 13 177.957 0.2 . 1 . . . . 99 GLN C . 7239 1 208 . 1 1 74 74 GLN N N 15 121.941 0.15 . 1 . . . . 99 GLN N . 7239 1 209 . 1 1 75 75 ASN H H 1 8.204 0.02 . 1 . . . . 100 ASN HN . 7239 1 210 . 1 1 75 75 ASN C C 13 175.596 0.2 . 1 . . . . 100 ASN C . 7239 1 211 . 1 1 75 75 ASN N N 15 115.154 0.15 . 1 . . . . 100 ASN N . 7239 1 212 . 1 1 76 76 ASP H H 1 7.883 0.02 . 1 . . . . 101 ASP HN . 7239 1 213 . 1 1 76 76 ASP C C 13 175.591 0.2 . 1 . . . . 101 ASP C . 7239 1 214 . 1 1 76 76 ASP N N 15 116.555 0.15 . 1 . . . . 101 ASP N . 7239 1 215 . 1 1 77 77 LEU H H 1 7.142 0.02 . 1 . . . . 102 LEU HN . 7239 1 216 . 1 1 77 77 LEU C C 13 177.716 0.2 . 1 . . . . 102 LEU C . 7239 1 217 . 1 1 77 77 LEU N N 15 117.254 0.15 . 1 . . . . 102 LEU N . 7239 1 218 . 1 1 78 78 VAL H H 1 7.809 0.02 . 1 . . . . 103 VAL HN . 7239 1 219 . 1 1 78 78 VAL C C 13 176.830 0.2 . 1 . . . . 103 VAL C . 7239 1 220 . 1 1 78 78 VAL N N 15 117.501 0.15 . 1 . . . . 103 VAL N . 7239 1 221 . 1 1 79 79 GLU H H 1 8.708 0.02 . 1 . . . . 104 GLU HN . 7239 1 222 . 1 1 79 79 GLU C C 13 174.903 0.2 . 1 . . . . 104 GLU C . 7239 1 223 . 1 1 79 79 GLU N N 15 122.042 0.15 . 1 . . . . 104 GLU N . 7239 1 224 . 1 1 80 80 ASP H H 1 8.829 0.02 . 1 . . . . 105 ASP HN . 7239 1 225 . 1 1 80 80 ASP C C 13 174.025 0.2 . 1 . . . . 105 ASP C . 7239 1 226 . 1 1 80 80 ASP N N 15 119.649 0.15 . 1 . . . . 105 ASP N . 7239 1 227 . 1 1 81 81 SER H H 1 8.449 0.02 . 1 . . . . 106 SER HN . 7239 1 228 . 1 1 81 81 SER N N 15 115.731 0.15 . 1 . . . . 106 SER N . 7239 1 229 . 1 1 82 82 PRO C C 13 177.952 0.2 . 1 . . . . 107 PRO C . 7239 1 230 . 1 1 83 83 VAL H H 1 8.752 0.02 . 1 . . . . 108 VAL HN . 7239 1 231 . 1 1 83 83 VAL C C 13 179.291 0.2 . 1 . . . . 108 VAL C . 7239 1 232 . 1 1 83 83 VAL N N 15 119.081 0.15 . 1 . . . . 108 VAL N . 7239 1 233 . 1 1 84 84 THR H H 1 9.915 0.02 . 1 . . . . 109 THR HN . 7239 1 234 . 1 1 84 84 THR C C 13 182.139 0.2 . 1 . . . . 109 THR C . 7239 1 235 . 1 1 84 84 THR N N 15 114.426 0.15 . 1 . . . . 109 THR N . 7239 1 236 . 1 1 85 85 GLU H H 1 7.953 0.02 . 1 . . . . 110 GLU HN . 7239 1 237 . 1 1 85 85 GLU C C 13 176.574 0.2 . 1 . . . . 110 GLU C . 7239 1 238 . 1 1 85 85 GLU N N 15 119.781 0.15 . 1 . . . . 110 GLU N . 7239 1 239 . 1 1 86 86 LYS H H 1 7.475 0.02 . 1 . . . . 111 LYS HN . 7239 1 240 . 1 1 86 86 LYS C C 13 177.347 0.2 . 1 . . . . 111 LYS C . 7239 1 241 . 1 1 86 86 LYS N N 15 116.020 0.15 . 1 . . . . 111 LYS N . 7239 1 242 . 1 1 87 87 HIS H H 1 7.167 0.02 . 1 . . . . 112 HIS HN . 7239 1 243 . 1 1 87 87 HIS C C 13 174.441 0.2 . 1 . . . . 112 HIS C . 7239 1 244 . 1 1 87 87 HIS N N 15 116.336 0.15 . 1 . . . . 112 HIS N . 7239 1 245 . 1 1 88 88 LEU H H 1 7.865 0.02 . 1 . . . . 113 LEU HN . 7239 1 246 . 1 1 88 88 LEU C C 13 179.193 0.2 . 1 . . . . 113 LEU C . 7239 1 247 . 1 1 88 88 LEU N N 15 120.236 0.15 . 1 . . . . 113 LEU N . 7239 1 248 . 1 1 89 89 THR H H 1 8.306 0.02 . 1 . . . . 114 THR HN . 7239 1 249 . 1 1 89 89 THR C C 13 175.596 0.2 . 1 . . . . 114 THR C . 7239 1 250 . 1 1 89 89 THR N N 15 109.299 0.15 . 1 . . . . 114 THR N . 7239 1 251 . 1 1 90 90 ASP H H 1 8.781 0.02 . 1 . . . . 115 ASP HN . 7239 1 252 . 1 1 90 90 ASP C C 13 177.713 0.2 . 1 . . . . 115 ASP C . 7239 1 253 . 1 1 90 90 ASP N N 15 117.134 0.15 . 1 . . . . 115 ASP N . 7239 1 254 . 1 1 91 91 GLY H H 1 7.928 0.02 . 1 . . . . 116 GLY HN . 7239 1 255 . 1 1 91 91 GLY C C 13 171.626 0.2 . 1 . . . . 116 GLY C . 7239 1 256 . 1 1 91 91 GLY N N 15 110.760 0.15 . 1 . . . . 116 GLY N . 7239 1 257 . 1 1 92 92 MET H H 1 8.292 0.02 . 1 . . . . 117 MET HN . 7239 1 258 . 1 1 92 92 MET C C 13 175.128 0.2 . 1 . . . . 117 MET C . 7239 1 259 . 1 1 92 92 MET N N 15 113.490 0.15 . 1 . . . . 117 MET N . 7239 1 260 . 1 1 93 93 THR H H 1 8.912 0.02 . 1 . . . . 118 THR HN . 7239 1 261 . 1 1 93 93 THR C C 13 175.843 0.2 . 1 . . . . 118 THR C . 7239 1 262 . 1 1 93 93 THR N N 15 112.202 0.15 . 1 . . . . 118 THR N . 7239 1 263 . 1 1 94 94 VAL H H 1 8.118 0.02 . 1 . . . . 119 VAL HN . 7239 1 264 . 1 1 94 94 VAL C C 13 177.957 0.2 . 1 . . . . 119 VAL C . 7239 1 265 . 1 1 94 94 VAL N N 15 122.024 0.15 . 1 . . . . 119 VAL N . 7239 1 266 . 1 1 95 95 ARG H H 1 9.066 0.02 . 1 . . . . 120 ARG HN . 7239 1 267 . 1 1 95 95 ARG C C 13 177.516 0.2 . 1 . . . . 120 ARG C . 7239 1 268 . 1 1 95 95 ARG N N 15 118.249 0.15 . 1 . . . . 120 ARG N . 7239 1 269 . 1 1 96 96 GLU H H 1 7.604 0.02 . 1 . . . . 121 GLU HN . 7239 1 270 . 1 1 96 96 GLU C C 13 180.469 0.2 . 1 . . . . 121 GLU C . 7239 1 271 . 1 1 96 96 GLU N N 15 118.472 0.15 . 1 . . . . 121 GLU N . 7239 1 272 . 1 1 97 97 LEU H H 1 9.101 0.02 . 1 . . . . 122 LEU HN . 7239 1 273 . 1 1 97 97 LEU C C 13 179.016 0.2 . 1 . . . . 122 LEU C . 7239 1 274 . 1 1 97 97 LEU N N 15 122.857 0.15 . 1 . . . . 122 LEU N . 7239 1 275 . 1 1 98 98 CYS H H 1 8.136 0.02 . 1 . . . . 123 CYS HN . 7239 1 276 . 1 1 98 98 CYS C C 13 176.013 0.2 . 1 . . . . 123 CYS C . 7239 1 277 . 1 1 98 98 CYS N N 15 118.913 0.15 . 1 . . . . 123 CYS N . 7239 1 278 . 1 1 99 99 SER H H 1 7.709 0.02 . 1 . . . . 124 SER HN . 7239 1 279 . 1 1 99 99 SER C C 13 178.965 0.2 . 1 . . . . 124 SER C . 7239 1 280 . 1 1 99 99 SER N N 15 113.133 0.15 . 1 . . . . 124 SER N . 7239 1 281 . 1 1 100 100 ALA H H 1 8.503 0.02 . 1 . . . . 125 ALA HN . 7239 1 282 . 1 1 100 100 ALA C C 13 180.112 0.2 . 1 . . . . 125 ALA C . 7239 1 283 . 1 1 100 100 ALA N N 15 124.921 0.15 . 1 . . . . 125 ALA N . 7239 1 284 . 1 1 101 101 ALA H H 1 8.657 0.02 . 1 . . . . 126 ALA HN . 7239 1 285 . 1 1 101 101 ALA C C 13 178.519 0.2 . 1 . . . . 126 ALA C . 7239 1 286 . 1 1 101 101 ALA N N 15 120.954 0.15 . 1 . . . . 126 ALA N . 7239 1 287 . 1 1 102 102 ILE H H 1 8.191 0.02 . 1 . . . . 127 ILE HN . 7239 1 288 . 1 1 102 102 ILE C C 13 176.630 0.2 . 1 . . . . 127 ILE C . 7239 1 289 . 1 1 102 102 ILE N N 15 113.564 0.15 . 1 . . . . 127 ILE N . 7239 1 290 . 1 1 103 103 THR H H 1 8.953 0.02 . 1 . . . . 128 THR HN . 7239 1 291 . 1 1 103 103 THR C C 13 175.917 0.2 . 1 . . . . 128 THR C . 7239 1 292 . 1 1 103 103 THR N N 15 109.265 0.15 . 1 . . . . 128 THR N . 7239 1 293 . 1 1 104 104 MET H H 1 6.813 0.02 . 1 . . . . 129 MET HN . 7239 1 294 . 1 1 104 104 MET C C 13 175.680 0.2 . 1 . . . . 129 MET C . 7239 1 295 . 1 1 104 104 MET N N 15 114.580 0.15 . 1 . . . . 129 MET N . 7239 1 296 . 1 1 105 105 SER H H 1 7.054 0.02 . 1 . . . . 130 SER HN . 7239 1 297 . 1 1 105 105 SER C C 13 173.301 0.2 . 1 . . . . 130 SER C . 7239 1 298 . 1 1 105 105 SER N N 15 113.342 0.15 . 1 . . . . 130 SER N . 7239 1 299 . 1 1 106 106 ASP H H 1 7.264 0.02 . 1 . . . . 131 ASP HN . 7239 1 300 . 1 1 106 106 ASP C C 13 176.453 0.2 . 1 . . . . 131 ASP C . 7239 1 301 . 1 1 106 106 ASP N N 15 119.781 0.15 . 1 . . . . 131 ASP N . 7239 1 302 . 1 1 107 107 ASN H H 1 8.690 0.02 . 1 . . . . 132 ASN HN . 7239 1 303 . 1 1 107 107 ASN C C 13 178.057 0.2 . 1 . . . . 132 ASN C . 7239 1 304 . 1 1 107 107 ASN N N 15 128.256 0.15 . 1 . . . . 132 ASN N . 7239 1 305 . 1 1 108 108 THR H H 1 7.997 0.02 . 1 . . . . 133 THR HN . 7239 1 306 . 1 1 108 108 THR C C 13 176.388 0.2 . 1 . . . . 133 THR C . 7239 1 307 . 1 1 108 108 THR N N 15 120.038 0.15 . 1 . . . . 133 THR N . 7239 1 308 . 1 1 109 109 ALA H H 1 8.983 0.02 . 1 . . . . 134 ALA HN . 7239 1 309 . 1 1 109 109 ALA C C 13 178.553 0.2 . 1 . . . . 134 ALA C . 7239 1 310 . 1 1 109 109 ALA N N 15 123.142 0.15 . 1 . . . . 134 ALA N . 7239 1 311 . 1 1 110 110 ALA H H 1 7.249 0.02 . 1 . . . . 135 ALA HN . 7239 1 312 . 1 1 110 110 ALA C C 13 178.359 0.2 . 1 . . . . 135 ALA C . 7239 1 313 . 1 1 110 110 ALA N N 15 115.782 0.15 . 1 . . . . 135 ALA N . 7239 1 314 . 1 1 111 111 ASN H H 1 8.017 0.02 . 1 . . . . 136 ASN HN . 7239 1 315 . 1 1 111 111 ASN C C 13 178.751 0.2 . 1 . . . . 136 ASN C . 7239 1 316 . 1 1 111 111 ASN N N 15 119.707 0.15 . 1 . . . . 136 ASN N . 7239 1 317 . 1 1 112 112 LEU H H 1 9.066 0.02 . 1 . . . . 137 LEU HN . 7239 1 318 . 1 1 112 112 LEU C C 13 181.140 0.2 . 1 . . . . 137 LEU C . 7239 1 319 . 1 1 112 112 LEU N N 15 121.622 0.15 . 1 . . . . 137 LEU N . 7239 1 320 . 1 1 113 113 LEU H H 1 8.196 0.02 . 1 . . . . 138 LEU HN . 7239 1 321 . 1 1 113 113 LEU C C 13 180.775 0.2 . 1 . . . . 138 LEU C . 7239 1 322 . 1 1 113 113 LEU N N 15 119.517 0.15 . 1 . . . . 138 LEU N . 7239 1 323 . 1 1 114 114 LEU H H 1 9.220 0.02 . 1 . . . . 139 LEU HN . 7239 1 324 . 1 1 114 114 LEU C C 13 180.117 0.2 . 1 . . . . 139 LEU C . 7239 1 325 . 1 1 114 114 LEU N N 15 124.191 0.15 . 1 . . . . 139 LEU N . 7239 1 326 . 1 1 115 115 THR H H 1 8.692 0.02 . 1 . . . . 140 THR HN . 7239 1 327 . 1 1 115 115 THR C C 13 177.730 0.2 . 1 . . . . 140 THR C . 7239 1 328 . 1 1 115 115 THR N N 15 117.989 0.15 . 1 . . . . 140 THR N . 7239 1 329 . 1 1 116 116 THR H H 1 7.609 0.02 . 1 . . . . 141 THR HN . 7239 1 330 . 1 1 116 116 THR C C 13 175.698 0.2 . 1 . . . . 141 THR C . 7239 1 331 . 1 1 116 116 THR N N 15 112.674 0.15 . 1 . . . . 141 THR N . 7239 1 332 . 1 1 117 117 ILE H H 1 6.884 0.02 . 1 . . . . 142 ILE HN . 7239 1 333 . 1 1 117 117 ILE C C 13 175.437 0.2 . 1 . . . . 142 ILE C . 7239 1 334 . 1 1 117 117 ILE N N 15 110.853 0.15 . 1 . . . . 142 ILE N . 7239 1 335 . 1 1 118 118 GLY H H 1 7.473 0.02 . 1 . . . . 143 GLY HN . 7239 1 336 . 1 1 118 118 GLY C C 13 175.136 0.2 . 1 . . . . 143 GLY C . 7239 1 337 . 1 1 118 118 GLY N N 15 106.413 0.15 . 1 . . . . 143 GLY N . 7239 1 338 . 1 1 119 119 GLY H H 1 8.187 0.02 . 1 . . . . 144 GLY HN . 7239 1 339 . 1 1 119 119 GLY N N 15 108.180 0.15 . 1 . . . . 144 GLY N . 7239 1 340 . 1 1 120 120 PRO C C 13 177.848 0.2 . 1 . . . . 145 PRO C . 7239 1 341 . 1 1 121 121 LYS H H 1 8.651 0.02 . 1 . . . . 146 LYS HN . 7239 1 342 . 1 1 121 121 LYS C C 13 179.775 0.2 . 1 . . . . 146 LYS C . 7239 1 343 . 1 1 121 121 LYS N N 15 116.093 0.15 . 1 . . . . 146 LYS N . 7239 1 344 . 1 1 122 122 GLU H H 1 7.326 0.02 . 1 . . . . 147 GLU HN . 7239 1 345 . 1 1 122 122 GLU C C 13 180.334 0.2 . 1 . . . . 147 GLU C . 7239 1 346 . 1 1 122 122 GLU N N 15 118.586 0.15 . 1 . . . . 147 GLU N . 7239 1 347 . 1 1 123 123 LEU H H 1 7.638 0.02 . 1 . . . . 148 LEU HN . 7239 1 348 . 1 1 123 123 LEU C C 13 178.083 0.2 . 1 . . . . 148 LEU C . 7239 1 349 . 1 1 123 123 LEU N N 15 123.245 0.15 . 1 . . . . 148 LEU N . 7239 1 350 . 1 1 124 124 THR H H 1 8.166 0.02 . 1 . . . . 149 THR HN . 7239 1 351 . 1 1 124 124 THR C C 13 175.073 0.2 . 1 . . . . 149 THR C . 7239 1 352 . 1 1 124 124 THR N N 15 117.040 0.15 . 1 . . . . 149 THR N . 7239 1 353 . 1 1 125 125 ALA H H 1 7.884 0.02 . 1 . . . . 150 ALA HN . 7239 1 354 . 1 1 125 125 ALA C C 13 179.439 0.2 . 1 . . . . 150 ALA C . 7239 1 355 . 1 1 125 125 ALA N N 15 123.216 0.15 . 1 . . . . 150 ALA N . 7239 1 356 . 1 1 126 126 PHE H H 1 7.789 0.02 . 1 . . . . 151 PHE HN . 7239 1 357 . 1 1 126 126 PHE C C 13 177.725 0.2 . 1 . . . . 151 PHE C . 7239 1 358 . 1 1 126 126 PHE N N 15 120.483 0.15 . 1 . . . . 151 PHE N . 7239 1 359 . 1 1 127 127 LEU H H 1 8.049 0.02 . 1 . . . . 152 LEU HN . 7239 1 360 . 1 1 127 127 LEU C C 13 179.085 0.2 . 1 . . . . 152 LEU C . 7239 1 361 . 1 1 127 127 LEU N N 15 121.551 0.15 . 1 . . . . 152 LEU N . 7239 1 362 . 1 1 128 128 HIS H H 1 8.887 0.02 . 1 . . . . 153 HIS HN . 7239 1 363 . 1 1 128 128 HIS C C 13 179.777 0.2 . 1 . . . . 153 HIS C . 7239 1 364 . 1 1 128 128 HIS N N 15 120.729 0.15 . 1 . . . . 153 HIS N . 7239 1 365 . 1 1 129 129 ASN H H 1 8.381 0.02 . 1 . . . . 154 ASN HN . 7239 1 366 . 1 1 129 129 ASN C C 13 176.480 0.2 . 1 . . . . 154 ASN C . 7239 1 367 . 1 1 129 129 ASN N N 15 118.289 0.15 . 1 . . . . 154 ASN N . 7239 1 368 . 1 1 130 130 MET H H 1 7.492 0.02 . 1 . . . . 155 MET HN . 7239 1 369 . 1 1 130 130 MET C C 13 175.812 0.2 . 1 . . . . 155 MET C . 7239 1 370 . 1 1 130 130 MET N N 15 115.547 0.15 . 1 . . . . 155 MET N . 7239 1 371 . 1 1 131 131 GLY H H 1 7.727 0.02 . 1 . . . . 156 GLY HN . 7239 1 372 . 1 1 131 131 GLY C C 13 172.694 0.2 . 1 . . . . 156 GLY C . 7239 1 373 . 1 1 131 131 GLY N N 15 107.719 0.15 . 1 . . . . 156 GLY N . 7239 1 374 . 1 1 132 132 ASP H H 1 7.994 0.02 . 1 . . . . 157 ASP HN . 7239 1 375 . 1 1 132 132 ASP C C 13 174.686 0.2 . 1 . . . . 157 ASP C . 7239 1 376 . 1 1 132 132 ASP N N 15 121.681 0.15 . 1 . . . . 157 ASP N . 7239 1 377 . 1 1 133 133 HIS H H 1 8.321 0.02 . 1 . . . . 158 HIS HN . 7239 1 378 . 1 1 133 133 HIS C C 13 175.009 0.2 . 1 . . . . 158 HIS C . 7239 1 379 . 1 1 133 133 HIS N N 15 121.247 0.15 . 1 . . . . 158 HIS N . 7239 1 380 . 1 1 134 134 VAL H H 1 8.801 0.02 . 1 . . . . 159 VAL HN . 7239 1 381 . 1 1 134 134 VAL C C 13 176.022 0.2 . 1 . . . . 159 VAL C . 7239 1 382 . 1 1 134 134 VAL N N 15 121.386 0.15 . 1 . . . . 159 VAL N . 7239 1 383 . 1 1 135 135 THR H H 1 9.367 0.02 . 1 . . . . 160 THR HN . 7239 1 384 . 1 1 135 135 THR C C 13 172.755 0.2 . 1 . . . . 160 THR C . 7239 1 385 . 1 1 135 135 THR N N 15 125.674 0.15 . 1 . . . . 160 THR N . 7239 1 386 . 1 1 136 136 ARG H H 1 8.447 0.02 . 1 . . . . 161 ARG HN . 7239 1 387 . 1 1 136 136 ARG C C 13 171.601 0.2 . 1 . . . . 161 ARG C . 7239 1 388 . 1 1 136 136 ARG N N 15 119.785 0.15 . 1 . . . . 161 ARG N . 7239 1 389 . 1 1 137 137 LEU H H 1 7.712 0.02 . 1 . . . . 162 LEU HN . 7239 1 390 . 1 1 137 137 LEU C C 13 174.313 0.2 . 1 . . . . 162 LEU C . 7239 1 391 . 1 1 137 137 LEU N N 15 121.180 0.15 . 1 . . . . 162 LEU N . 7239 1 392 . 1 1 138 138 ASP H H 1 9.996 0.02 . 1 . . . . 163 ASP HN . 7239 1 393 . 1 1 138 138 ASP C C 13 175.603 0.2 . 1 . . . . 163 ASP C . 7239 1 394 . 1 1 138 138 ASP N N 15 126.770 0.15 . 1 . . . . 163 ASP N . 7239 1 395 . 1 1 139 139 ARG H H 1 9.232 0.02 . 1 . . . . 164 ARG HN . 7239 1 396 . 1 1 139 139 ARG C C 13 170.592 0.2 . 1 . . . . 164 ARG C . 7239 1 397 . 1 1 139 139 ARG N N 15 125.139 0.15 . 1 . . . . 164 ARG N . 7239 1 398 . 1 1 140 140 TRP H H 1 7.675 0.02 . 1 . . . . 165 TRP HN . 7239 1 399 . 1 1 140 140 TRP C C 13 177.843 0.2 . 1 . . . . 165 TRP C . 7239 1 400 . 1 1 140 140 TRP N N 15 114.398 0.15 . 1 . . . . 165 TRP N . 7239 1 401 . 1 1 141 141 GLU H H 1 9.579 0.02 . 1 . . . . 166 GLU HN . 7239 1 402 . 1 1 141 141 GLU N N 15 117.223 0.15 . 1 . . . . 166 GLU N . 7239 1 403 . 1 1 142 142 PRO C C 13 177.517 0.2 . 1 . . . . 167 PRO C . 7239 1 404 . 1 1 143 143 GLU H H 1 8.600 0.02 . 1 . . . . 168 GLU HN . 7239 1 405 . 1 1 143 143 GLU C C 13 176.691 0.2 . 1 . . . . 168 GLU C . 7239 1 406 . 1 1 143 143 GLU N N 15 128.095 0.15 . 1 . . . . 168 GLU N . 7239 1 407 . 1 1 144 144 LEU H H 1 7.627 0.02 . 1 . . . . 169 LEU HN . 7239 1 408 . 1 1 144 144 LEU C C 13 176.882 0.2 . 1 . . . . 169 LEU C . 7239 1 409 . 1 1 144 144 LEU N N 15 112.867 0.15 . 1 . . . . 169 LEU N . 7239 1 410 . 1 1 145 145 ASN H H 1 7.566 0.02 . 1 . . . . 170 ASN HN . 7239 1 411 . 1 1 145 145 ASN C C 13 174.905 0.2 . 1 . . . . 170 ASN C . 7239 1 412 . 1 1 145 145 ASN N N 15 119.914 0.15 . 1 . . . . 170 ASN N . 7239 1 413 . 1 1 146 146 GLU H H 1 7.485 0.02 . 1 . . . . 171 GLU HN . 7239 1 414 . 1 1 146 146 GLU C C 13 175.732 0.2 . 1 . . . . 171 GLU C . 7239 1 415 . 1 1 146 146 GLU N N 15 120.730 0.15 . 1 . . . . 171 GLU N . 7239 1 416 . 1 1 147 147 ALA H H 1 9.490 0.02 . 1 . . . . 172 ALA HN . 7239 1 417 . 1 1 147 147 ALA C C 13 176.491 0.2 . 1 . . . . 172 ALA C . 7239 1 418 . 1 1 147 147 ALA N N 15 118.281 0.15 . 1 . . . . 172 ALA N . 7239 1 419 . 1 1 148 148 ILE H H 1 8.654 0.02 . 1 . . . . 173 ILE HN . 7239 1 420 . 1 1 148 148 ILE N N 15 120.800 0.15 . 1 . . . . 173 ILE N . 7239 1 421 . 1 1 149 149 PRO C C 13 177.497 0.2 . 1 . . . . 174 PRO C . 7239 1 422 . 1 1 150 150 ASN H H 1 8.890 0.02 . 1 . . . . 175 ASN HN . 7239 1 423 . 1 1 150 150 ASN C C 13 173.228 0.2 . 1 . . . . 175 ASN C . 7239 1 424 . 1 1 150 150 ASN N N 15 115.868 0.15 . 1 . . . . 175 ASN N . 7239 1 425 . 1 1 151 151 ASP H H 1 7.596 0.02 . 1 . . . . 176 ASP HN . 7239 1 426 . 1 1 151 151 ASP C C 13 177.283 0.2 . 1 . . . . 176 ASP C . 7239 1 427 . 1 1 151 151 ASP N N 15 120.821 0.15 . 1 . . . . 176 ASP N . 7239 1 428 . 1 1 152 152 GLU H H 1 8.967 0.02 . 1 . . . . 177 GLU HN . 7239 1 429 . 1 1 152 152 GLU C C 13 177.611 0.2 . 1 . . . . 177 GLU C . 7239 1 430 . 1 1 152 152 GLU N N 15 126.375 0.15 . 1 . . . . 177 GLU N . 7239 1 431 . 1 1 153 153 ARG H H 1 8.094 0.02 . 1 . . . . 178 ARG HN . 7239 1 432 . 1 1 153 153 ARG C C 13 177.147 0.2 . 1 . . . . 178 ARG C . 7239 1 433 . 1 1 153 153 ARG N N 15 122.319 0.15 . 1 . . . . 178 ARG N . 7239 1 434 . 1 1 154 154 ASP H H 1 8.752 0.02 . 1 . . . . 179 ASP HN . 7239 1 435 . 1 1 154 154 ASP C C 13 177.855 0.2 . 1 . . . . 179 ASP C . 7239 1 436 . 1 1 154 154 ASP N N 15 115.627 0.15 . 1 . . . . 179 ASP N . 7239 1 437 . 1 1 155 155 THR H H 1 7.264 0.02 . 1 . . . . 180 THR HN . 7239 1 438 . 1 1 155 155 THR C C 13 173.104 0.2 . 1 . . . . 180 THR C . 7239 1 439 . 1 1 155 155 THR N N 15 104.727 0.15 . 1 . . . . 180 THR N . 7239 1 440 . 1 1 156 156 THR H H 1 8.203 0.02 . 1 . . . . 181 THR HN . 7239 1 441 . 1 1 156 156 THR C C 13 173.564 0.2 . 1 . . . . 181 THR C . 7239 1 442 . 1 1 156 156 THR N N 15 111.794 0.15 . 1 . . . . 181 THR N . 7239 1 443 . 1 1 157 157 MET H H 1 8.494 0.02 . 1 . . . . 182 MET HN . 7239 1 444 . 1 1 157 157 MET N N 15 117.871 0.15 . 1 . . . . 182 MET N . 7239 1 445 . 1 1 158 158 PRO C C 13 176.840 0.2 . 1 . . . . 183 PRO C . 7239 1 446 . 1 1 159 159 ALA H H 1 8.661 0.02 . 1 . . . . 184 ALA HN . 7239 1 447 . 1 1 159 159 ALA C C 13 179.062 0.2 . 1 . . . . 184 ALA C . 7239 1 448 . 1 1 159 159 ALA N N 15 114.737 0.15 . 1 . . . . 184 ALA N . 7239 1 449 . 1 1 160 160 ALA H H 1 6.856 0.02 . 1 . . . . 185 ALA HN . 7239 1 450 . 1 1 160 160 ALA C C 13 177.958 0.2 . 1 . . . . 185 ALA C . 7239 1 451 . 1 1 160 160 ALA N N 15 121.075 0.15 . 1 . . . . 185 ALA N . 7239 1 452 . 1 1 161 161 MET H H 1 8.323 0.02 . 1 . . . . 186 MET HN . 7239 1 453 . 1 1 161 161 MET C C 13 177.851 0.2 . 1 . . . . 186 MET C . 7239 1 454 . 1 1 161 161 MET N N 15 116.148 0.15 . 1 . . . . 186 MET N . 7239 1 455 . 1 1 162 162 ALA H H 1 8.269 0.02 . 1 . . . . 187 ALA HN . 7239 1 456 . 1 1 162 162 ALA C C 13 178.410 0.2 . 1 . . . . 187 ALA C . 7239 1 457 . 1 1 162 162 ALA N N 15 117.808 0.15 . 1 . . . . 187 ALA N . 7239 1 458 . 1 1 163 163 THR H H 1 7.690 0.02 . 1 . . . . 188 THR HN . 7239 1 459 . 1 1 163 163 THR C C 13 177.389 0.2 . 1 . . . . 188 THR C . 7239 1 460 . 1 1 163 163 THR N N 15 112.260 0.15 . 1 . . . . 188 THR N . 7239 1 461 . 1 1 164 164 THR H H 1 9.057 0.02 . 1 . . . . 189 THR HN . 7239 1 462 . 1 1 164 164 THR C C 13 175.733 0.2 . 1 . . . . 189 THR C . 7239 1 463 . 1 1 164 164 THR N N 15 124.633 0.15 . 1 . . . . 189 THR N . 7239 1 464 . 1 1 165 165 LEU H H 1 8.841 0.02 . 1 . . . . 190 LEU HN . 7239 1 465 . 1 1 165 165 LEU C C 13 178.193 0.2 . 1 . . . . 190 LEU C . 7239 1 466 . 1 1 165 165 LEU N N 15 121.414 0.15 . 1 . . . . 190 LEU N . 7239 1 467 . 1 1 166 166 ARG H H 1 8.113 0.02 . 1 . . . . 191 ARG HN . 7239 1 468 . 1 1 166 166 ARG C C 13 178.730 0.2 . 1 . . . . 191 ARG C . 7239 1 469 . 1 1 166 166 ARG N N 15 118.255 0.15 . 1 . . . . 191 ARG N . 7239 1 470 . 1 1 167 167 LYS H H 1 8.084 0.02 . 1 . . . . 192 LYS HN . 7239 1 471 . 1 1 167 167 LYS C C 13 178.632 0.2 . 1 . . . . 192 LYS C . 7239 1 472 . 1 1 167 167 LYS N N 15 121.005 0.15 . 1 . . . . 192 LYS N . 7239 1 473 . 1 1 168 168 LEU H H 1 8.053 0.02 . 1 . . . . 193 LEU HN . 7239 1 474 . 1 1 168 168 LEU C C 13 177.491 0.2 . 1 . . . . 193 LEU C . 7239 1 475 . 1 1 168 168 LEU N N 15 117.520 0.15 . 1 . . . . 193 LEU N . 7239 1 476 . 1 1 169 169 LEU H H 1 8.043 0.02 . 1 . . . . 194 LEU HN . 7239 1 477 . 1 1 169 169 LEU C C 13 178.294 0.2 . 1 . . . . 194 LEU C . 7239 1 478 . 1 1 169 169 LEU N N 15 111.456 0.15 . 1 . . . . 194 LEU N . 7239 1 479 . 1 1 170 170 THR H H 1 7.956 0.02 . 1 . . . . 195 THR HN . 7239 1 480 . 1 1 170 170 THR C C 13 174.671 0.2 . 1 . . . . 195 THR C . 7239 1 481 . 1 1 170 170 THR N N 15 105.218 0.15 . 1 . . . . 195 THR N . 7239 1 482 . 1 1 171 171 GLY H H 1 7.879 0.02 . 1 . . . . 196 GLY HN . 7239 1 483 . 1 1 171 171 GLY C C 13 174.001 0.2 . 1 . . . . 196 GLY C . 7239 1 484 . 1 1 171 171 GLY N N 15 110.566 0.15 . 1 . . . . 196 GLY N . 7239 1 485 . 1 1 172 172 GLU H H 1 8.382 0.02 . 1 . . . . 197 GLU HN . 7239 1 486 . 1 1 172 172 GLU C C 13 176.377 0.2 . 1 . . . . 197 GLU C . 7239 1 487 . 1 1 172 172 GLU N N 15 116.712 0.15 . 1 . . . . 197 GLU N . 7239 1 488 . 1 1 173 173 LEU H H 1 7.460 0.02 . 1 . . . . 198 LEU HN . 7239 1 489 . 1 1 173 173 LEU C C 13 177.382 0.2 . 1 . . . . 198 LEU C . 7239 1 490 . 1 1 173 173 LEU N N 15 122.628 0.15 . 1 . . . . 198 LEU N . 7239 1 491 . 1 1 174 174 LEU H H 1 8.653 0.02 . 1 . . . . 199 LEU HN . 7239 1 492 . 1 1 174 174 LEU C C 13 177.604 0.2 . 1 . . . . 199 LEU C . 7239 1 493 . 1 1 174 174 LEU N N 15 118.183 0.15 . 1 . . . . 199 LEU N . 7239 1 494 . 1 1 175 175 THR H H 1 8.951 0.02 . 1 . . . . 200 THR HN . 7239 1 495 . 1 1 175 175 THR C C 13 175.363 0.2 . 1 . . . . 200 THR C . 7239 1 496 . 1 1 175 175 THR N N 15 112.530 0.15 . 1 . . . . 200 THR N . 7239 1 497 . 1 1 176 176 LEU H H 1 8.691 0.02 . 1 . . . . 201 LEU HN . 7239 1 498 . 1 1 176 176 LEU C C 13 179.085 0.2 . 1 . . . . 201 LEU C . 7239 1 499 . 1 1 176 176 LEU N N 15 122.999 0.15 . 1 . . . . 201 LEU N . 7239 1 500 . 1 1 177 177 ALA H H 1 8.436 0.02 . 1 . . . . 202 ALA HN . 7239 1 501 . 1 1 177 177 ALA C C 13 181.468 0.2 . 1 . . . . 202 ALA C . 7239 1 502 . 1 1 177 177 ALA N N 15 118.706 0.15 . 1 . . . . 202 ALA N . 7239 1 503 . 1 1 178 178 SER H H 1 7.748 0.02 . 1 . . . . 203 SER HN . 7239 1 504 . 1 1 178 178 SER C C 13 175.110 0.2 . 1 . . . . 203 SER C . 7239 1 505 . 1 1 178 178 SER N N 15 118.521 0.15 . 1 . . . . 203 SER N . 7239 1 506 . 1 1 179 179 ARG H H 1 9.058 0.02 . 1 . . . . 204 ARG HN . 7239 1 507 . 1 1 179 179 ARG C C 13 178.514 0.2 . 1 . . . . 204 ARG C . 7239 1 508 . 1 1 179 179 ARG N N 15 123.658 0.15 . 1 . . . . 204 ARG N . 7239 1 509 . 1 1 180 180 GLN H H 1 8.215 0.02 . 1 . . . . 205 GLN HN . 7239 1 510 . 1 1 180 180 GLN C C 13 177.138 0.2 . 1 . . . . 205 GLN C . 7239 1 511 . 1 1 180 180 GLN N N 15 117.497 0.15 . 1 . . . . 205 GLN N . 7239 1 512 . 1 1 181 181 GLN H H 1 7.604 0.02 . 1 . . . . 206 GLN HN . 7239 1 513 . 1 1 181 181 GLN C C 13 177.843 0.2 . 1 . . . . 206 GLN C . 7239 1 514 . 1 1 181 181 GLN N N 15 118.127 0.15 . 1 . . . . 206 GLN N . 7239 1 515 . 1 1 182 182 LEU H H 1 7.973 0.02 . 1 . . . . 207 LEU HN . 7239 1 516 . 1 1 182 182 LEU C C 13 178.280 0.2 . 1 . . . . 207 LEU C . 7239 1 517 . 1 1 182 182 LEU N N 15 121.142 0.15 . 1 . . . . 207 LEU N . 7239 1 518 . 1 1 183 183 ILE H H 1 7.805 0.02 . 1 . . . . 208 ILE HN . 7239 1 519 . 1 1 183 183 ILE C C 13 177.272 0.2 . 1 . . . . 208 ILE C . 7239 1 520 . 1 1 183 183 ILE N N 15 118.169 0.15 . 1 . . . . 208 ILE N . 7239 1 521 . 1 1 184 184 ASP H H 1 8.693 0.02 . 1 . . . . 209 ASP HN . 7239 1 522 . 1 1 184 184 ASP C C 13 181.392 0.2 . 1 . . . . 209 ASP C . 7239 1 523 . 1 1 184 184 ASP N N 15 122.339 0.15 . 1 . . . . 209 ASP N . 7239 1 524 . 1 1 185 185 TRP H H 1 8.022 0.02 . 1 . . . . 210 TRP HN . 7239 1 525 . 1 1 185 185 TRP C C 13 177.047 0.2 . 1 . . . . 210 TRP C . 7239 1 526 . 1 1 185 185 TRP N N 15 120.442 0.15 . 1 . . . . 210 TRP N . 7239 1 527 . 1 1 186 186 MET H H 1 7.715 0.02 . 1 . . . . 211 MET HN . 7239 1 528 . 1 1 186 186 MET C C 13 180.323 0.2 . 1 . . . . 211 MET C . 7239 1 529 . 1 1 186 186 MET N N 15 115.891 0.15 . 1 . . . . 211 MET N . 7239 1 530 . 1 1 187 187 GLU H H 1 9.652 0.02 . 1 . . . . 212 GLU HN . 7239 1 531 . 1 1 187 187 GLU C C 13 178.152 0.2 . 1 . . . . 212 GLU C . 7239 1 532 . 1 1 187 187 GLU N N 15 124.790 0.15 . 1 . . . . 212 GLU N . 7239 1 533 . 1 1 188 188 ALA H H 1 7.334 0.02 . 1 . . . . 213 ALA HN . 7239 1 534 . 1 1 188 188 ALA C C 13 175.470 0.2 . 1 . . . . 213 ALA C . 7239 1 535 . 1 1 188 188 ALA N N 15 119.611 0.15 . 1 . . . . 213 ALA N . 7239 1 536 . 1 1 189 189 ASP H H 1 6.962 0.02 . 1 . . . . 214 ASP HN . 7239 1 537 . 1 1 189 189 ASP C C 13 177.347 0.2 . 1 . . . . 214 ASP C . 7239 1 538 . 1 1 189 189 ASP N N 15 115.781 0.15 . 1 . . . . 214 ASP N . 7239 1 539 . 1 1 190 190 LYS H H 1 9.418 0.02 . 1 . . . . 215 LYS HN . 7239 1 540 . 1 1 190 190 LYS C C 13 179.618 0.2 . 1 . . . . 215 LYS C . 7239 1 541 . 1 1 190 190 LYS N N 15 127.266 0.15 . 1 . . . . 215 LYS N . 7239 1 542 . 1 1 191 191 VAL H H 1 7.142 0.02 . 1 . . . . 216 VAL HN . 7239 1 543 . 1 1 191 191 VAL C C 13 175.023 0.2 . 1 . . . . 216 VAL C . 7239 1 544 . 1 1 191 191 VAL N N 15 109.880 0.15 . 1 . . . . 216 VAL N . 7239 1 545 . 1 1 192 192 ALA H H 1 8.923 0.02 . 1 . . . . 217 ALA HN . 7239 1 546 . 1 1 192 192 ALA C C 13 178.321 0.2 . 1 . . . . 217 ALA C . 7239 1 547 . 1 1 192 192 ALA N N 15 125.649 0.15 . 1 . . . . 217 ALA N . 7239 1 548 . 1 1 193 193 GLY H H 1 8.943 0.02 . 1 . . . . 218 GLY HN . 7239 1 549 . 1 1 193 193 GLY N N 15 114.470 0.15 . 1 . . . . 218 GLY N . 7239 1 550 . 1 1 194 194 PRO C C 13 175.110 0.2 . 1 . . . . 219 PRO C . 7239 1 551 . 1 1 195 195 LEU H H 1 6.788 0.02 . 1 . . . . 220 LEU HN . 7239 1 552 . 1 1 195 195 LEU C C 13 176.354 0.2 . 1 . . . . 220 LEU C . 7239 1 553 . 1 1 195 195 LEU N N 15 114.013 0.15 . 1 . . . . 220 LEU N . 7239 1 554 . 1 1 196 196 LEU H H 1 6.896 0.02 . 1 . . . . 221 LEU HN . 7239 1 555 . 1 1 196 196 LEU C C 13 178.523 0.2 . 1 . . . . 221 LEU C . 7239 1 556 . 1 1 196 196 LEU N N 15 123.543 0.15 . 1 . . . . 221 LEU N . 7239 1 557 . 1 1 197 197 ARG H H 1 8.934 0.02 . 1 . . . . 222 ARG HN . 7239 1 558 . 1 1 197 197 ARG C C 13 177.406 0.2 . 1 . . . . 222 ARG C . 7239 1 559 . 1 1 197 197 ARG N N 15 115.958 0.15 . 1 . . . . 222 ARG N . 7239 1 560 . 1 1 198 198 SER H H 1 6.996 0.02 . 1 . . . . 223 SER HN . 7239 1 561 . 1 1 198 198 SER C C 13 174.002 0.2 . 1 . . . . 223 SER C . 7239 1 562 . 1 1 198 198 SER N N 15 113.358 0.15 . 1 . . . . 223 SER N . 7239 1 563 . 1 1 199 199 ALA H H 1 7.262 0.02 . 1 . . . . 224 ALA HN . 7239 1 564 . 1 1 199 199 ALA C C 13 176.260 0.2 . 1 . . . . 224 ALA C . 7239 1 565 . 1 1 199 199 ALA N N 15 122.846 0.15 . 1 . . . . 224 ALA N . 7239 1 566 . 1 1 200 200 LEU H H 1 6.698 0.02 . 1 . . . . 225 LEU HN . 7239 1 567 . 1 1 200 200 LEU N N 15 120.934 0.15 . 1 . . . . 225 LEU N . 7239 1 568 . 1 1 201 201 PRO C C 13 175.796 0.2 . 1 . . . . 226 PRO C . 7239 1 569 . 1 1 202 202 ALA H H 1 8.224 0.02 . 1 . . . . 227 ALA HN . 7239 1 570 . 1 1 202 202 ALA C C 13 179.413 0.2 . 1 . . . . 227 ALA C . 7239 1 571 . 1 1 202 202 ALA N N 15 122.725 0.15 . 1 . . . . 227 ALA N . 7239 1 572 . 1 1 203 203 GLY H H 1 8.809 0.02 . 1 . . . . 228 GLY HN . 7239 1 573 . 1 1 203 203 GLY C C 13 175.345 0.2 . 1 . . . . 228 GLY C . 7239 1 574 . 1 1 203 203 GLY N N 15 110.143 0.15 . 1 . . . . 228 GLY N . 7239 1 575 . 1 1 204 204 TRP H H 1 7.615 0.02 . 1 . . . . 229 TRP HN . 7239 1 576 . 1 1 204 204 TRP C C 13 175.362 0.2 . 1 . . . . 229 TRP C . 7239 1 577 . 1 1 204 204 TRP N N 15 120.592 0.15 . 1 . . . . 229 TRP N . 7239 1 578 . 1 1 205 205 PHE H H 1 9.359 0.02 . 1 . . . . 230 PHE HN . 7239 1 579 . 1 1 205 205 PHE C C 13 174.787 0.2 . 1 . . . . 230 PHE C . 7239 1 580 . 1 1 205 205 PHE N N 15 122.951 0.15 . 1 . . . . 230 PHE N . 7239 1 581 . 1 1 206 206 ILE H H 1 7.511 0.02 . 1 . . . . 231 ILE HN . 7239 1 582 . 1 1 206 206 ILE C C 13 169.474 0.2 . 1 . . . . 231 ILE C . 7239 1 583 . 1 1 206 206 ILE N N 15 123.361 0.15 . 1 . . . . 231 ILE N . 7239 1 584 . 1 1 207 207 ALA H H 1 8.440 0.02 . 1 . . . . 232 ALA HN . 7239 1 585 . 1 1 207 207 ALA C C 13 174.898 0.2 . 1 . . . . 232 ALA C . 7239 1 586 . 1 1 207 207 ALA N N 15 128.095 0.15 . 1 . . . . 232 ALA N . 7239 1 587 . 1 1 208 208 ASP H H 1 8.223 0.02 . 1 . . . . 233 ASP HN . 7239 1 588 . 1 1 208 208 ASP C C 13 172.621 0.2 . 1 . . . . 233 ASP C . 7239 1 589 . 1 1 208 208 ASP N N 15 123.953 0.15 . 1 . . . . 233 ASP N . 7239 1 590 . 1 1 209 209 LYS H H 1 8.043 0.02 . 1 . . . . 234 LYS HN . 7239 1 591 . 1 1 209 209 LYS C C 13 178.288 0.2 . 1 . . . . 234 LYS C . 7239 1 592 . 1 1 209 209 LYS N N 15 109.647 0.15 . 1 . . . . 234 LYS N . 7239 1 593 . 1 1 210 210 SER H H 1 8.230 0.02 . 1 . . . . 235 SER HN . 7239 1 594 . 1 1 210 210 SER C C 13 173.958 0.2 . 1 . . . . 235 SER C . 7239 1 595 . 1 1 210 210 SER N N 15 115.630 0.15 . 1 . . . . 235 SER N . 7239 1 596 . 1 1 211 211 GLY H H 1 8.601 0.02 . 1 . . . . 236 GLY HN . 7239 1 597 . 1 1 211 211 GLY N N 15 102.288 0.15 . 1 . . . . 236 GLY N . 7239 1 598 . 1 1 212 212 ALA C C 13 175.365 0.2 . 1 . . . . 237 ALA C . 7239 1 599 . 1 1 213 213 GLY H H 1 7.722 0.02 . 1 . . . . 238 GLY HN . 7239 1 600 . 1 1 213 213 GLY C C 13 172.739 0.2 . 1 . . . . 238 GLY C . 7239 1 601 . 1 1 213 213 GLY N N 15 107.448 0.15 . 1 . . . . 238 GLY N . 7239 1 602 . 1 1 214 214 GLU H H 1 7.874 0.02 . 1 . . . . 239 GLU HN . 7239 1 603 . 1 1 214 214 GLU C C 13 176.044 0.2 . 1 . . . . 239 GLU C . 7239 1 604 . 1 1 214 214 GLU N N 15 117.135 0.15 . 1 . . . . 239 GLU N . 7239 1 605 . 1 1 215 215 ARG H H 1 9.474 0.02 . 1 . . . . 240 ARG HN . 7239 1 606 . 1 1 215 215 ARG C C 13 176.031 0.2 . 1 . . . . 240 ARG C . 7239 1 607 . 1 1 215 215 ARG N N 15 118.172 0.15 . 1 . . . . 240 ARG N . 7239 1 608 . 1 1 216 216 GLY H H 1 8.810 0.02 . 1 . . . . 241 GLY HN . 7239 1 609 . 1 1 216 216 GLY C C 13 177.360 0.2 . 1 . . . . 241 GLY C . 7239 1 610 . 1 1 216 216 GLY N N 15 102.887 0.15 . 1 . . . . 241 GLY N . 7239 1 611 . 1 1 217 217 SER H H 1 7.550 0.02 . 1 . . . . 242 SER HN . 7239 1 612 . 1 1 217 217 SER C C 13 174.897 0.2 . 1 . . . . 242 SER C . 7239 1 613 . 1 1 217 217 SER N N 15 119.426 0.15 . 1 . . . . 242 SER N . 7239 1 614 . 1 1 218 218 ARG H H 1 9.054 0.02 . 1 . . . . 243 ARG HN . 7239 1 615 . 1 1 218 218 ARG C C 13 174.231 0.2 . 1 . . . . 243 ARG C . 7239 1 616 . 1 1 218 218 ARG N N 15 126.188 0.15 . 1 . . . . 243 ARG N . 7239 1 617 . 1 1 219 219 GLY H H 1 8.462 0.02 . 1 . . . . 244 GLY HN . 7239 1 618 . 1 1 219 219 GLY C C 13 170.357 0.2 . 1 . . . . 244 GLY C . 7239 1 619 . 1 1 219 219 GLY N N 15 111.474 0.15 . 1 . . . . 244 GLY N . 7239 1 620 . 1 1 220 220 ILE H H 1 9.184 0.02 . 1 . . . . 245 ILE HN . 7239 1 621 . 1 1 220 220 ILE C C 13 170.402 0.2 . 1 . . . . 245 ILE C . 7239 1 622 . 1 1 220 220 ILE N N 15 117.008 0.15 . 1 . . . . 245 ILE N . 7239 1 623 . 1 1 221 221 ILE H H 1 8.148 0.02 . 1 . . . . 246 ILE HN . 7239 1 624 . 1 1 221 221 ILE C C 13 174.747 0.2 . 1 . . . . 246 ILE C . 7239 1 625 . 1 1 221 221 ILE N N 15 118.212 0.15 . 1 . . . . 246 ILE N . 7239 1 626 . 1 1 222 222 ALA H H 1 8.996 0.02 . 1 . . . . 247 ALA HN . 7239 1 627 . 1 1 222 222 ALA C C 13 174.575 0.2 . 1 . . . . 247 ALA C . 7239 1 628 . 1 1 222 222 ALA N N 15 122.847 0.15 . 1 . . . . 247 ALA N . 7239 1 629 . 1 1 223 223 ALA H H 1 9.332 0.02 . 1 . . . . 248 ALA HN . 7239 1 630 . 1 1 223 223 ALA C C 13 175.577 0.2 . 1 . . . . 248 ALA C . 7239 1 631 . 1 1 223 223 ALA N N 15 122.866 0.15 . 1 . . . . 248 ALA N . 7239 1 632 . 1 1 224 224 LEU H H 1 9.311 0.02 . 1 . . . . 249 LEU HN . 7239 1 633 . 1 1 224 224 LEU C C 13 176.690 0.2 . 1 . . . . 249 LEU C . 7239 1 634 . 1 1 224 224 LEU N N 15 121.218 0.15 . 1 . . . . 249 LEU N . 7239 1 635 . 1 1 225 225 GLY H H 1 8.803 0.02 . 1 . . . . 250 GLY HN . 7239 1 636 . 1 1 225 225 GLY N N 15 110.499 0.15 . 1 . . . . 250 GLY N . 7239 1 637 . 1 1 226 226 PRO C C 13 176.020 0.2 . 1 . . . . 251 PRO C . 7239 1 638 . 1 1 227 227 ASP H H 1 7.926 0.02 . 1 . . . . 252 ASP HN . 7239 1 639 . 1 1 227 227 ASP C C 13 177.139 0.2 . 1 . . . . 252 ASP C . 7239 1 640 . 1 1 227 227 ASP N N 15 114.296 0.15 . 1 . . . . 252 ASP N . 7239 1 641 . 1 1 228 228 GLY H H 1 7.713 0.02 . 1 . . . . 253 GLY HN . 7239 1 642 . 1 1 228 228 GLY C C 13 173.406 0.2 . 1 . . . . 253 GLY C . 7239 1 643 . 1 1 228 228 GLY N N 15 100.200 0.15 . 1 . . . . 253 GLY N . 7239 1 644 . 1 1 229 229 LYS H H 1 7.175 0.02 . 1 . . . . 254 LYS HN . 7239 1 645 . 1 1 229 229 LYS N N 15 119.367 0.15 . 1 . . . . 254 LYS N . 7239 1 646 . 1 1 230 230 PRO C C 13 176.058 0.2 . 1 . . . . 255 PRO C . 7239 1 647 . 1 1 231 231 SER H H 1 8.533 0.02 . 1 . . . . 256 SER HN . 7239 1 648 . 1 1 231 231 SER C C 13 174.535 0.2 . 1 . . . . 256 SER C . 7239 1 649 . 1 1 231 231 SER N N 15 112.520 0.15 . 1 . . . . 256 SER N . 7239 1 650 . 1 1 232 232 ARG H H 1 8.831 0.02 . 1 . . . . 257 ARG HN . 7239 1 651 . 1 1 232 232 ARG C C 13 174.481 0.2 . 1 . . . . 257 ARG C . 7239 1 652 . 1 1 232 232 ARG N N 15 123.156 0.15 . 1 . . . . 257 ARG N . 7239 1 653 . 1 1 233 233 ILE H H 1 9.239 0.02 . 1 . . . . 258 ILE HN . 7239 1 654 . 1 1 233 233 ILE C C 13 174.561 0.2 . 1 . . . . 258 ILE C . 7239 1 655 . 1 1 233 233 ILE N N 15 122.700 0.15 . 1 . . . . 258 ILE N . 7239 1 656 . 1 1 234 234 VAL H H 1 9.198 0.02 . 1 . . . . 259 VAL HN . 7239 1 657 . 1 1 234 234 VAL C C 13 173.551 0.2 . 1 . . . . 259 VAL C . 7239 1 658 . 1 1 234 234 VAL N N 15 126.289 0.15 . 1 . . . . 259 VAL N . 7239 1 659 . 1 1 235 235 VAL H H 1 8.232 0.02 . 1 . . . . 260 VAL HN . 7239 1 660 . 1 1 235 235 VAL C C 13 173.775 0.2 . 1 . . . . 260 VAL C . 7239 1 661 . 1 1 235 235 VAL N N 15 125.416 0.15 . 1 . . . . 260 VAL N . 7239 1 662 . 1 1 236 236 ILE H H 1 8.357 0.02 . 1 . . . . 261 ILE HN . 7239 1 663 . 1 1 236 236 ILE C C 13 174.333 0.2 . 1 . . . . 261 ILE C . 7239 1 664 . 1 1 236 236 ILE N N 15 123.159 0.15 . 1 . . . . 261 ILE N . 7239 1 665 . 1 1 237 237 TYR H H 1 8.734 0.02 . 1 . . . . 262 TYR HN . 7239 1 666 . 1 1 237 237 TYR C C 13 173.988 0.2 . 1 . . . . 262 TYR C . 7239 1 667 . 1 1 237 237 TYR N N 15 122.355 0.15 . 1 . . . . 262 TYR N . 7239 1 668 . 1 1 238 238 THR H H 1 8.942 0.02 . 1 . . . . 263 THR HN . 7239 1 669 . 1 1 238 238 THR C C 13 172.457 0.2 . 1 . . . . 263 THR C . 7239 1 670 . 1 1 238 238 THR N N 15 111.354 0.15 . 1 . . . . 263 THR N . 7239 1 671 . 1 1 239 239 THR H H 1 8.025 0.02 . 1 . . . . 264 THR HN . 7239 1 672 . 1 1 239 239 THR C C 13 171.617 0.2 . 1 . . . . 264 THR C . 7239 1 673 . 1 1 239 239 THR N N 15 121.899 0.15 . 1 . . . . 264 THR N . 7239 1 674 . 1 1 240 240 GLY H H 1 8.687 0.02 . 1 . . . . 265 GLY HN . 7239 1 675 . 1 1 240 240 GLY C C 13 174.892 0.2 . 1 . . . . 265 GLY C . 7239 1 676 . 1 1 240 240 GLY N N 15 114.132 0.15 . 1 . . . . 265 GLY N . 7239 1 677 . 1 1 241 241 SER H H 1 8.358 0.02 . 1 . . . . 266 SER HN . 7239 1 678 . 1 1 241 241 SER C C 13 176.001 0.2 . 1 . . . . 266 SER C . 7239 1 679 . 1 1 241 241 SER N N 15 114.569 0.15 . 1 . . . . 266 SER N . 7239 1 680 . 1 1 242 242 GLN H H 1 8.839 0.02 . 1 . . . . 267 GLN HN . 7239 1 681 . 1 1 242 242 GLN C C 13 175.932 0.2 . 1 . . . . 267 GLN C . 7239 1 682 . 1 1 242 242 GLN N N 15 123.556 0.15 . 1 . . . . 267 GLN N . 7239 1 683 . 1 1 243 243 ALA H H 1 8.708 0.02 . 1 . . . . 268 ALA HN . 7239 1 684 . 1 1 243 243 ALA C C 13 178.737 0.2 . 1 . . . . 268 ALA C . 7239 1 685 . 1 1 243 243 ALA N N 15 123.358 0.15 . 1 . . . . 268 ALA N . 7239 1 686 . 1 1 244 244 THR H H 1 8.643 0.02 . 1 . . . . 269 THR HN . 7239 1 687 . 1 1 244 244 THR C C 13 175.982 0.2 . 1 . . . . 269 THR C . 7239 1 688 . 1 1 244 244 THR N N 15 112.804 0.15 . 1 . . . . 269 THR N . 7239 1 689 . 1 1 245 245 MET H H 1 9.143 0.02 . 1 . . . . 270 MET HN . 7239 1 690 . 1 1 245 245 MET C C 13 177.837 0.2 . 1 . . . . 270 MET C . 7239 1 691 . 1 1 245 245 MET N N 15 122.390 0.15 . 1 . . . . 270 MET N . 7239 1 692 . 1 1 246 246 ASP H H 1 8.447 0.02 . 1 . . . . 271 ASP HN . 7239 1 693 . 1 1 246 246 ASP C C 13 178.669 0.2 . 1 . . . . 271 ASP C . 7239 1 694 . 1 1 246 246 ASP N N 15 116.641 0.15 . 1 . . . . 271 ASP N . 7239 1 695 . 1 1 247 247 GLU H H 1 7.633 0.02 . 1 . . . . 272 GLU HN . 7239 1 696 . 1 1 247 247 GLU C C 13 179.314 0.2 . 1 . . . . 272 GLU C . 7239 1 697 . 1 1 247 247 GLU N N 15 120.247 0.15 . 1 . . . . 272 GLU N . 7239 1 698 . 1 1 248 248 ARG H H 1 8.116 0.02 . 1 . . . . 273 ARG HN . 7239 1 699 . 1 1 248 248 ARG C C 13 177.508 0.2 . 1 . . . . 273 ARG C . 7239 1 700 . 1 1 248 248 ARG N N 15 118.750 0.15 . 1 . . . . 273 ARG N . 7239 1 701 . 1 1 249 249 ASN H H 1 8.782 0.02 . 1 . . . . 274 ASN HN . 7239 1 702 . 1 1 249 249 ASN C C 13 176.554 0.2 . 1 . . . . 274 ASN C . 7239 1 703 . 1 1 249 249 ASN N N 15 116.898 0.15 . 1 . . . . 274 ASN N . 7239 1 704 . 1 1 250 250 ARG H H 1 8.026 0.02 . 1 . . . . 275 ARG HN . 7239 1 705 . 1 1 250 250 ARG C C 13 178.857 0.2 . 1 . . . . 275 ARG C . 7239 1 706 . 1 1 250 250 ARG N N 15 118.731 0.15 . 1 . . . . 275 ARG N . 7239 1 707 . 1 1 251 251 GLN H H 1 7.804 0.02 . 1 . . . . 276 GLN HN . 7239 1 708 . 1 1 251 251 GLN C C 13 178.507 0.2 . 1 . . . . 276 GLN C . 7239 1 709 . 1 1 251 251 GLN N N 15 114.895 0.15 . 1 . . . . 276 GLN N . 7239 1 710 . 1 1 252 252 ILE H H 1 7.413 0.02 . 1 . . . . 277 ILE HN . 7239 1 711 . 1 1 252 252 ILE C C 13 177.192 0.2 . 1 . . . . 277 ILE C . 7239 1 712 . 1 1 252 252 ILE N N 15 117.562 0.15 . 1 . . . . 277 ILE N . 7239 1 713 . 1 1 253 253 ALA H H 1 8.708 0.02 . 1 . . . . 278 ALA HN . 7239 1 714 . 1 1 253 253 ALA C C 13 180.444 0.2 . 1 . . . . 278 ALA C . 7239 1 715 . 1 1 253 253 ALA N N 15 123.346 0.15 . 1 . . . . 278 ALA N . 7239 1 716 . 1 1 254 254 GLU H H 1 8.424 0.02 . 1 . . . . 279 GLU HN . 7239 1 717 . 1 1 254 254 GLU C C 13 180.704 0.2 . 1 . . . . 279 GLU C . 7239 1 718 . 1 1 254 254 GLU N N 15 118.255 0.15 . 1 . . . . 279 GLU N . 7239 1 719 . 1 1 255 255 ILE H H 1 8.026 0.02 . 1 . . . . 280 ILE HN . 7239 1 720 . 1 1 255 255 ILE C C 13 177.964 0.2 . 1 . . . . 280 ILE C . 7239 1 721 . 1 1 255 255 ILE N N 15 123.429 0.15 . 1 . . . . 280 ILE N . 7239 1 722 . 1 1 256 256 GLY H H 1 8.361 0.02 . 1 . . . . 281 GLY HN . 7239 1 723 . 1 1 256 256 GLY C C 13 173.971 0.2 . 1 . . . . 281 GLY C . 7239 1 724 . 1 1 256 256 GLY N N 15 106.015 0.15 . 1 . . . . 281 GLY N . 7239 1 725 . 1 1 257 257 ALA H H 1 8.627 0.02 . 1 . . . . 282 ALA HN . 7239 1 726 . 1 1 257 257 ALA C C 13 180.136 0.2 . 1 . . . . 282 ALA C . 7239 1 727 . 1 1 257 257 ALA N N 15 122.317 0.15 . 1 . . . . 282 ALA N . 7239 1 728 . 1 1 258 258 SER H H 1 7.491 0.02 . 1 . . . . 283 SER HN . 7239 1 729 . 1 1 258 258 SER C C 13 176.274 0.2 . 1 . . . . 283 SER C . 7239 1 730 . 1 1 258 258 SER N N 15 113.351 0.15 . 1 . . . . 283 SER N . 7239 1 731 . 1 1 259 259 LEU H H 1 8.205 0.02 . 1 . . . . 284 LEU HN . 7239 1 732 . 1 1 259 259 LEU C C 13 178.861 0.2 . 1 . . . . 284 LEU C . 7239 1 733 . 1 1 259 259 LEU N N 15 122.889 0.15 . 1 . . . . 284 LEU N . 7239 1 734 . 1 1 260 260 ILE H H 1 7.965 0.02 . 1 . . . . 285 ILE HN . 7239 1 735 . 1 1 260 260 ILE C C 13 178.513 0.2 . 1 . . . . 285 ILE C . 7239 1 736 . 1 1 260 260 ILE N N 15 118.217 0.15 . 1 . . . . 285 ILE N . 7239 1 737 . 1 1 261 261 LYS H H 1 8.115 0.02 . 1 . . . . 286 LYS HN . 7239 1 738 . 1 1 261 261 LYS C C 13 177.948 0.2 . 1 . . . . 286 LYS C . 7239 1 739 . 1 1 261 261 LYS N N 15 121.086 0.15 . 1 . . . . 286 LYS N . 7239 1 740 . 1 1 262 262 HIS H H 1 7.608 0.02 . 1 . . . . 287 HIS HN . 7239 1 741 . 1 1 262 262 HIS C C 13 173.650 0.2 . 1 . . . . 287 HIS C . 7239 1 742 . 1 1 262 262 HIS N N 15 114.207 0.15 . 1 . . . . 287 HIS N . 7239 1 743 . 1 1 263 263 TRP H H 1 7.250 0.02 . 1 . . . . 288 TRP HN . 7239 1 744 . 1 1 263 263 TRP N N 15 128.748 0.15 . 1 . . . . 288 TRP N . 7239 1 stop_ save_