data_6024 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6024 _Entry.Title ; 1H, 13C and 15N backbone resonance assignment for TEM-1, a 28.9 kDa beta-lactamase from E. coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-11-27 _Entry.Accession_date 2003-12-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'This is the first NMR backbone assignment for a class A beta-lactamase' _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 Pierre-Yves Savard . . . 6024 2 Roger Levesque . C. . 6024 3 Marvin Makinen . W. . 6024 4 Stephane Gagne . M. . 6024 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6024 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 759 6024 '15N chemical shifts' 249 6024 '1H chemical shifts' 249 6024 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 4 . . 2009-07-02 . update BMRB 'modification of relationship loop' 6024 3 . . 2006-07-20 . update BMRB 'modification of relationship loop' 6024 2 . . 2004-10-22 . update BMRB 'addition of relationship loop' 6024 1 . . 2004-07-06 . original author 'original release' 6024 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6357 'TEM-1 beta-lactamase, wild type' 6024 BMRB 7236 'TEM-1 beta-lactamase, mutant Y105W' 6024 BMRB 7237 'TEM-1 beta-lactamase, mutant Y105G' 6024 BMRB 7238 'TEM-1 beta-lactamase, mutant Y105N' 6024 BMRB 7239 'TEM-1 beta-lactamase, mutant Y105D' 6024 BMRB 16392 'TEM-1 beta-lactamase, dynamic data' 6024 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6024 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15213455 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N backbone resonance assignments for TEM-1, a 28.9 kDa [bgr]-lactamase from E. coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _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 433 _Citation.Page_last 434 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pierre-Yves Savard . . . 6024 1 2 Alejandro Sosa-Peinado . . . 6024 1 3 Roger Levesque . C. . 6024 1 4 Marvin Makinen . W. . 6024 1 5 Stephane Gagne . M. . 6024 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'antibiotic resistance' 6024 1 'class A beta-lactamase' 6024 1 'NMR assignments' 6024 1 TEM-1 6024 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TEM-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TEM-1 _Assembly.Entry_ID 6024 _Assembly.ID 1 _Assembly.Name 'Beta-lactamase TEM' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.5.2.6 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6024 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 1 $TEM-1 . . . native . . . . . 6024 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 . . . . . . . . . . 6024 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1ERQ . . . . . ; The molecule is in the free state (not in complex) and residue Glu-28 has been replaced by a Gly in the molecule studied here ; 6024 1 yes PDB 1ERO . . . . . ; The molecule is in the free state (not in complex) and residue Glu-28 has been replaced by a Gly in the molecule studied here ; 6024 1 yes PDB 1ERM . . . . . ; The molecule is in the free state (not in complex) and residue Glu-28 has been replaced by a Gly in the molecule studied here ; 6024 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Beta-lactamase TEM' system 6024 1 TEM-1 abbreviation 6024 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Hydrolase 6024 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TEM-1 _Entity.Sf_category entity _Entity.Sf_framecode TEM-1 _Entity.Entry_ID 6024 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TEM-1 beta-lactamase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HPGTLVKVKDAEDQLGARVG YIELDLNSGKILESFRPEER FPMMSTFKVLLCGAVLSRVD AGQEQLGRRIHYSQNDLVEY SPVTEKHLTDGMTVRELCSA AITMSDNTAANLLLTTIGGP KELTAFLHNMGDHVTRLDRW EPELNEAIPNDERDTTMPAA MATTLRKLLTGELLTLASRQ QLIDWMEADKVAGPLLRSAL PAGWFIADKSGAGERGSRGI IAALGPDGKPSRIVVIYTTG SQATMDERNRQIAEIGASLI KHW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 263 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 28836 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The sequence numbering is sequential,from 26 to 288. This is not the same numbering scheme as in most publications that use a non-sequential numbering, where numbers 239 and 253 are not used in the coordinates ; _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 . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 6024 1 2 no BMRB 6357 . TEM-1 . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6024 1 3 no BMRB 7236 . TEM-1_beta-lactamase . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 6024 1 4 no BMRB 7237 . TEM-1_beta-lactamase . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 6024 1 5 no BMRB 7238 . TEM-1_beta-lactamase . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 6024 1 6 no BMRB 7239 . TEM-1_beta-lactamase . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 6024 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 . . . . 6024 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 . . . . 6024 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 . . . . 6024 1 10 no PDB 1CK3 . "N276d Mutant Of Escherichia Coli Tem-1 Beta-Lactamase" . . . . . 100.00 263 98.48 99.24 0.00e+00 . . . . 6024 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 . . . . 6024 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 . . . . 6024 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 . . . . 6024 1 14 no PDB 1ESU . "S235a Mutant Of Tem1 Beta-Lactamase" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 6024 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 . . . . 6024 1 16 no PDB 1HTZ . "Crystal Structure Of Tem52 Beta-Lactamase" . . . . . 100.00 263 98.48 98.86 0.00e+00 . . . . 6024 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 . . . . 6024 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 . . . . 6024 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 . . . . 6024 1 20 no PDB 1JWP . "Structure Of M182t Mutant Of Tem-1 Beta-Lactamase" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 6024 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 . . . . 6024 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 . . . . 6024 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 . . . . 6024 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 . . . . 6024 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 . . . . 6024 1 26 no PDB 1M40 . "Ultra High Resolution Crystal Structure Of Tem-1" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 6024 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 . . . . 6024 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 . . . . 6024 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 . . . . 6024 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 . . . . 6024 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 . . . . 6024 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 . . . . 6024 1 33 no PDB 1S0W . "1b Lactamse B LACTAMASE INHIBITOR" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6024 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 . . . . 6024 1 35 no PDB 1XPB . "Structure Of Beta-Lactamase Tem1" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6024 1 36 no PDB 1XXM . "The Modular Architecture Of Protein-Protein Binding Site" . . . . . 100.00 263 98.48 98.86 0.00e+00 . . . . 6024 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 . . . . 6024 1 38 no PDB 1ZG4 . "Tem1 Beta Lactamase" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 6024 1 39 no PDB 1ZG6 . "Tem1 Beta Lactamase Mutant S70g" . . . . . 100.00 286 98.48 98.86 0.00e+00 . . . . 6024 1 40 no PDB 2B5R . "1b Lactamase B LACTAMASE INHIBITOR" . . . . . 100.00 263 98.48 98.86 0.00e+00 . . . . 6024 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 . . . . 6024 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 . . . . 6024 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 . . . . 6024 1 44 no PDB 3GMW . "Crystal Structure Of Beta-Lactamse Inhibitory Protein-I (Blip-I) In Complex With Tem-1 Beta-Lactamase" . . . . . 98.86 261 99.62 99.62 0.00e+00 . . . . 6024 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 . . . . 6024 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 . . . . 6024 1 47 no PDB 4GKU . "Crystal Structure Of Beta Lactamase In Pet-15b" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6024 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 . . . . 6024 1 49 no PDB 4MEZ . "Crystal Structure Of M68l/m69t Double Mutant Tem-1" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 6024 1 50 no DBJ BAA00795 . "ampicillin resistance protein [Shuttle vector pHY320PLK]" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 6024 1 51 no DBJ BAA03488 . "beta-lactamase [Cloning vector pKF2]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 6024 1 52 no DBJ BAA12825 . "beta-lactamase [Cloning vector pBEN66]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 6024 1 53 no DBJ BAA14388 . "Ap resistance protein [synthetic construct]" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 6024 1 54 no DBJ BAA19239 . "beta-lactamase [Cloning vector pBEN77]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 6024 1 55 no EMBL CAA04868 . "beta-lactamase [Escherichia coli]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 6024 1 56 no EMBL CAA05682 . "beta-lactamase [synthetic construct]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 6024 1 57 no EMBL CAA05685 . "beta-lactamase [synthetic construct]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 6024 1 58 no EMBL CAA05686 . "beta-lactamase [synthetic construct]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 6024 1 59 no EMBL CAA05689 . "beta-lactamase [synthetic construct]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 6024 1 60 no GB AAA24057 . "beta-lactamase [Escherichia coli]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 6024 1 61 no GB AAA25053 . "TEM-26B beta-lactamase [Klebsiella oxytoca]" . . . . . 100.00 286 99.24 99.24 0.00e+00 . . . . 6024 1 62 no GB AAA32208 . "ampicillinase, partial [Enterobacteria phage f1]" . . . . . 76.81 225 99.50 99.50 5.57e-143 . . . . 6024 1 63 no GB AAA53119 . "beta-lactamase [unidentified cloning vector]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 6024 1 64 no GB AAA53121 . "beta-lactamase [unidentified cloning vector]" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 6024 1 65 no PIR S60310 . "extended spectrum beta-lactamase CAZ-2 - Klebsiella pneumoniae" . . . . . 100.00 286 98.10 98.86 0.00e+00 . . . . 6024 1 66 no PIR S60312 . "extended spectrum beta-lactamase CAZ-7 - Klebsiella pneumoniae" . . . . . 100.00 286 98.48 99.24 0.00e+00 . . . . 6024 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 . . . . 6024 1 68 no PRF 2018199A . "beta lactamase IRT-4" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 6024 1 69 no REF NP_052173 . "beta-lactamase [Neisseria gonorrhoeae]" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 6024 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 . . . . 6024 1 71 no REF NP_608310 . "TEM beta-lactamase [Klebsiella pneumoniae]" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 6024 1 72 no REF NP_758767 . "beta lactamase [Erwinia amylovora ATCC BAA-2158]" . . . . . 98.48 283 97.68 97.68 0.00e+00 . . . . 6024 1 73 no REF NP_775035 . "BlaTEM1 [Citrobacter freundii]" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 6024 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 . . . . 6024 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 . . . . 6024 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 . . . . 6024 1 77 no TPE CAJ85677 . "TPA: beta lactamase [Birmingham IncP-alpha plasmid]" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6024 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'TEM-1 beta-lactamase' common 6024 1 E28G variant 6024 1 TEM-1 abbreviation 6024 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 . 6024 1 2 27 PRO . 6024 1 3 28 GLY . 6024 1 4 29 THR . 6024 1 5 30 LEU . 6024 1 6 31 VAL . 6024 1 7 32 LYS . 6024 1 8 33 VAL . 6024 1 9 34 LYS . 6024 1 10 35 ASP . 6024 1 11 36 ALA . 6024 1 12 37 GLU . 6024 1 13 38 ASP . 6024 1 14 39 GLN . 6024 1 15 40 LEU . 6024 1 16 41 GLY . 6024 1 17 42 ALA . 6024 1 18 43 ARG . 6024 1 19 44 VAL . 6024 1 20 45 GLY . 6024 1 21 46 TYR . 6024 1 22 47 ILE . 6024 1 23 48 GLU . 6024 1 24 49 LEU . 6024 1 25 50 ASP . 6024 1 26 51 LEU . 6024 1 27 52 ASN . 6024 1 28 53 SER . 6024 1 29 54 GLY . 6024 1 30 55 LYS . 6024 1 31 56 ILE . 6024 1 32 57 LEU . 6024 1 33 58 GLU . 6024 1 34 59 SER . 6024 1 35 60 PHE . 6024 1 36 61 ARG . 6024 1 37 62 PRO . 6024 1 38 63 GLU . 6024 1 39 64 GLU . 6024 1 40 65 ARG . 6024 1 41 66 PHE . 6024 1 42 67 PRO . 6024 1 43 68 MET . 6024 1 44 69 MET . 6024 1 45 70 SER . 6024 1 46 71 THR . 6024 1 47 72 PHE . 6024 1 48 73 LYS . 6024 1 49 74 VAL . 6024 1 50 75 LEU . 6024 1 51 76 LEU . 6024 1 52 77 CYS . 6024 1 53 78 GLY . 6024 1 54 79 ALA . 6024 1 55 80 VAL . 6024 1 56 81 LEU . 6024 1 57 82 SER . 6024 1 58 83 ARG . 6024 1 59 84 VAL . 6024 1 60 85 ASP . 6024 1 61 86 ALA . 6024 1 62 87 GLY . 6024 1 63 88 GLN . 6024 1 64 89 GLU . 6024 1 65 90 GLN . 6024 1 66 91 LEU . 6024 1 67 92 GLY . 6024 1 68 93 ARG . 6024 1 69 94 ARG . 6024 1 70 95 ILE . 6024 1 71 96 HIS . 6024 1 72 97 TYR . 6024 1 73 98 SER . 6024 1 74 99 GLN . 6024 1 75 100 ASN . 6024 1 76 101 ASP . 6024 1 77 102 LEU . 6024 1 78 103 VAL . 6024 1 79 104 GLU . 6024 1 80 105 TYR . 6024 1 81 106 SER . 6024 1 82 107 PRO . 6024 1 83 108 VAL . 6024 1 84 109 THR . 6024 1 85 110 GLU . 6024 1 86 111 LYS . 6024 1 87 112 HIS . 6024 1 88 113 LEU . 6024 1 89 114 THR . 6024 1 90 115 ASP . 6024 1 91 116 GLY . 6024 1 92 117 MET . 6024 1 93 118 THR . 6024 1 94 119 VAL . 6024 1 95 120 ARG . 6024 1 96 121 GLU . 6024 1 97 122 LEU . 6024 1 98 123 CYS . 6024 1 99 124 SER . 6024 1 100 125 ALA . 6024 1 101 126 ALA . 6024 1 102 127 ILE . 6024 1 103 128 THR . 6024 1 104 129 MET . 6024 1 105 130 SER . 6024 1 106 131 ASP . 6024 1 107 132 ASN . 6024 1 108 133 THR . 6024 1 109 134 ALA . 6024 1 110 135 ALA . 6024 1 111 136 ASN . 6024 1 112 137 LEU . 6024 1 113 138 LEU . 6024 1 114 139 LEU . 6024 1 115 140 THR . 6024 1 116 141 THR . 6024 1 117 142 ILE . 6024 1 118 143 GLY . 6024 1 119 144 GLY . 6024 1 120 145 PRO . 6024 1 121 146 LYS . 6024 1 122 147 GLU . 6024 1 123 148 LEU . 6024 1 124 149 THR . 6024 1 125 150 ALA . 6024 1 126 151 PHE . 6024 1 127 152 LEU . 6024 1 128 153 HIS . 6024 1 129 154 ASN . 6024 1 130 155 MET . 6024 1 131 156 GLY . 6024 1 132 157 ASP . 6024 1 133 158 HIS . 6024 1 134 159 VAL . 6024 1 135 160 THR . 6024 1 136 161 ARG . 6024 1 137 162 LEU . 6024 1 138 163 ASP . 6024 1 139 164 ARG . 6024 1 140 165 TRP . 6024 1 141 166 GLU . 6024 1 142 167 PRO . 6024 1 143 168 GLU . 6024 1 144 169 LEU . 6024 1 145 170 ASN . 6024 1 146 171 GLU . 6024 1 147 172 ALA . 6024 1 148 173 ILE . 6024 1 149 174 PRO . 6024 1 150 175 ASN . 6024 1 151 176 ASP . 6024 1 152 177 GLU . 6024 1 153 178 ARG . 6024 1 154 179 ASP . 6024 1 155 180 THR . 6024 1 156 181 THR . 6024 1 157 182 MET . 6024 1 158 183 PRO . 6024 1 159 184 ALA . 6024 1 160 185 ALA . 6024 1 161 186 MET . 6024 1 162 187 ALA . 6024 1 163 188 THR . 6024 1 164 189 THR . 6024 1 165 190 LEU . 6024 1 166 191 ARG . 6024 1 167 192 LYS . 6024 1 168 193 LEU . 6024 1 169 194 LEU . 6024 1 170 195 THR . 6024 1 171 196 GLY . 6024 1 172 197 GLU . 6024 1 173 198 LEU . 6024 1 174 199 LEU . 6024 1 175 200 THR . 6024 1 176 201 LEU . 6024 1 177 202 ALA . 6024 1 178 203 SER . 6024 1 179 204 ARG . 6024 1 180 205 GLN . 6024 1 181 206 GLN . 6024 1 182 207 LEU . 6024 1 183 208 ILE . 6024 1 184 209 ASP . 6024 1 185 210 TRP . 6024 1 186 211 MET . 6024 1 187 212 GLU . 6024 1 188 213 ALA . 6024 1 189 214 ASP . 6024 1 190 215 LYS . 6024 1 191 216 VAL . 6024 1 192 217 ALA . 6024 1 193 218 GLY . 6024 1 194 219 PRO . 6024 1 195 220 LEU . 6024 1 196 221 LEU . 6024 1 197 222 ARG . 6024 1 198 223 SER . 6024 1 199 224 ALA . 6024 1 200 225 LEU . 6024 1 201 226 PRO . 6024 1 202 227 ALA . 6024 1 203 228 GLY . 6024 1 204 229 TRP . 6024 1 205 230 PHE . 6024 1 206 231 ILE . 6024 1 207 232 ALA . 6024 1 208 233 ASP . 6024 1 209 234 LYS . 6024 1 210 235 SER . 6024 1 211 236 GLY . 6024 1 212 237 ALA . 6024 1 213 238 GLY . 6024 1 214 239 GLU . 6024 1 215 240 ARG . 6024 1 216 241 GLY . 6024 1 217 242 SER . 6024 1 218 243 ARG . 6024 1 219 244 GLY . 6024 1 220 245 ILE . 6024 1 221 246 ILE . 6024 1 222 247 ALA . 6024 1 223 248 ALA . 6024 1 224 249 LEU . 6024 1 225 250 GLY . 6024 1 226 251 PRO . 6024 1 227 252 ASP . 6024 1 228 253 GLY . 6024 1 229 254 LYS . 6024 1 230 255 PRO . 6024 1 231 256 SER . 6024 1 232 257 ARG . 6024 1 233 258 ILE . 6024 1 234 259 VAL . 6024 1 235 260 VAL . 6024 1 236 261 ILE . 6024 1 237 262 TYR . 6024 1 238 263 THR . 6024 1 239 264 THR . 6024 1 240 265 GLY . 6024 1 241 266 SER . 6024 1 242 267 GLN . 6024 1 243 268 ALA . 6024 1 244 269 THR . 6024 1 245 270 MET . 6024 1 246 271 ASP . 6024 1 247 272 GLU . 6024 1 248 273 ARG . 6024 1 249 274 ASN . 6024 1 250 275 ARG . 6024 1 251 276 GLN . 6024 1 252 277 ILE . 6024 1 253 278 ALA . 6024 1 254 279 GLU . 6024 1 255 280 ILE . 6024 1 256 281 GLY . 6024 1 257 282 ALA . 6024 1 258 283 SER . 6024 1 259 284 LEU . 6024 1 260 285 ILE . 6024 1 261 286 LYS . 6024 1 262 287 HIS . 6024 1 263 288 TRP . 6024 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 6024 1 . PRO 2 2 6024 1 . GLY 3 3 6024 1 . THR 4 4 6024 1 . LEU 5 5 6024 1 . VAL 6 6 6024 1 . LYS 7 7 6024 1 . VAL 8 8 6024 1 . LYS 9 9 6024 1 . ASP 10 10 6024 1 . ALA 11 11 6024 1 . GLU 12 12 6024 1 . ASP 13 13 6024 1 . GLN 14 14 6024 1 . LEU 15 15 6024 1 . GLY 16 16 6024 1 . ALA 17 17 6024 1 . ARG 18 18 6024 1 . VAL 19 19 6024 1 . GLY 20 20 6024 1 . TYR 21 21 6024 1 . ILE 22 22 6024 1 . GLU 23 23 6024 1 . LEU 24 24 6024 1 . ASP 25 25 6024 1 . LEU 26 26 6024 1 . ASN 27 27 6024 1 . SER 28 28 6024 1 . GLY 29 29 6024 1 . LYS 30 30 6024 1 . ILE 31 31 6024 1 . LEU 32 32 6024 1 . GLU 33 33 6024 1 . SER 34 34 6024 1 . PHE 35 35 6024 1 . ARG 36 36 6024 1 . PRO 37 37 6024 1 . GLU 38 38 6024 1 . GLU 39 39 6024 1 . ARG 40 40 6024 1 . PHE 41 41 6024 1 . PRO 42 42 6024 1 . MET 43 43 6024 1 . MET 44 44 6024 1 . SER 45 45 6024 1 . THR 46 46 6024 1 . PHE 47 47 6024 1 . LYS 48 48 6024 1 . VAL 49 49 6024 1 . LEU 50 50 6024 1 . LEU 51 51 6024 1 . CYS 52 52 6024 1 . GLY 53 53 6024 1 . ALA 54 54 6024 1 . VAL 55 55 6024 1 . LEU 56 56 6024 1 . SER 57 57 6024 1 . ARG 58 58 6024 1 . VAL 59 59 6024 1 . ASP 60 60 6024 1 . ALA 61 61 6024 1 . GLY 62 62 6024 1 . GLN 63 63 6024 1 . GLU 64 64 6024 1 . GLN 65 65 6024 1 . LEU 66 66 6024 1 . GLY 67 67 6024 1 . ARG 68 68 6024 1 . ARG 69 69 6024 1 . ILE 70 70 6024 1 . HIS 71 71 6024 1 . TYR 72 72 6024 1 . SER 73 73 6024 1 . GLN 74 74 6024 1 . ASN 75 75 6024 1 . ASP 76 76 6024 1 . LEU 77 77 6024 1 . VAL 78 78 6024 1 . GLU 79 79 6024 1 . TYR 80 80 6024 1 . SER 81 81 6024 1 . PRO 82 82 6024 1 . VAL 83 83 6024 1 . THR 84 84 6024 1 . GLU 85 85 6024 1 . LYS 86 86 6024 1 . HIS 87 87 6024 1 . LEU 88 88 6024 1 . THR 89 89 6024 1 . ASP 90 90 6024 1 . GLY 91 91 6024 1 . MET 92 92 6024 1 . THR 93 93 6024 1 . VAL 94 94 6024 1 . ARG 95 95 6024 1 . GLU 96 96 6024 1 . LEU 97 97 6024 1 . CYS 98 98 6024 1 . SER 99 99 6024 1 . ALA 100 100 6024 1 . ALA 101 101 6024 1 . ILE 102 102 6024 1 . THR 103 103 6024 1 . MET 104 104 6024 1 . SER 105 105 6024 1 . ASP 106 106 6024 1 . ASN 107 107 6024 1 . THR 108 108 6024 1 . ALA 109 109 6024 1 . ALA 110 110 6024 1 . ASN 111 111 6024 1 . LEU 112 112 6024 1 . LEU 113 113 6024 1 . LEU 114 114 6024 1 . THR 115 115 6024 1 . THR 116 116 6024 1 . ILE 117 117 6024 1 . GLY 118 118 6024 1 . GLY 119 119 6024 1 . PRO 120 120 6024 1 . LYS 121 121 6024 1 . GLU 122 122 6024 1 . LEU 123 123 6024 1 . THR 124 124 6024 1 . ALA 125 125 6024 1 . PHE 126 126 6024 1 . LEU 127 127 6024 1 . HIS 128 128 6024 1 . ASN 129 129 6024 1 . MET 130 130 6024 1 . GLY 131 131 6024 1 . ASP 132 132 6024 1 . HIS 133 133 6024 1 . VAL 134 134 6024 1 . THR 135 135 6024 1 . ARG 136 136 6024 1 . LEU 137 137 6024 1 . ASP 138 138 6024 1 . ARG 139 139 6024 1 . TRP 140 140 6024 1 . GLU 141 141 6024 1 . PRO 142 142 6024 1 . GLU 143 143 6024 1 . LEU 144 144 6024 1 . ASN 145 145 6024 1 . GLU 146 146 6024 1 . ALA 147 147 6024 1 . ILE 148 148 6024 1 . PRO 149 149 6024 1 . ASN 150 150 6024 1 . ASP 151 151 6024 1 . GLU 152 152 6024 1 . ARG 153 153 6024 1 . ASP 154 154 6024 1 . THR 155 155 6024 1 . THR 156 156 6024 1 . MET 157 157 6024 1 . PRO 158 158 6024 1 . ALA 159 159 6024 1 . ALA 160 160 6024 1 . MET 161 161 6024 1 . ALA 162 162 6024 1 . THR 163 163 6024 1 . THR 164 164 6024 1 . LEU 165 165 6024 1 . ARG 166 166 6024 1 . LYS 167 167 6024 1 . LEU 168 168 6024 1 . LEU 169 169 6024 1 . THR 170 170 6024 1 . GLY 171 171 6024 1 . GLU 172 172 6024 1 . LEU 173 173 6024 1 . LEU 174 174 6024 1 . THR 175 175 6024 1 . LEU 176 176 6024 1 . ALA 177 177 6024 1 . SER 178 178 6024 1 . ARG 179 179 6024 1 . GLN 180 180 6024 1 . GLN 181 181 6024 1 . LEU 182 182 6024 1 . ILE 183 183 6024 1 . ASP 184 184 6024 1 . TRP 185 185 6024 1 . MET 186 186 6024 1 . GLU 187 187 6024 1 . ALA 188 188 6024 1 . ASP 189 189 6024 1 . LYS 190 190 6024 1 . VAL 191 191 6024 1 . ALA 192 192 6024 1 . GLY 193 193 6024 1 . PRO 194 194 6024 1 . LEU 195 195 6024 1 . LEU 196 196 6024 1 . ARG 197 197 6024 1 . SER 198 198 6024 1 . ALA 199 199 6024 1 . LEU 200 200 6024 1 . PRO 201 201 6024 1 . ALA 202 202 6024 1 . GLY 203 203 6024 1 . TRP 204 204 6024 1 . PHE 205 205 6024 1 . ILE 206 206 6024 1 . ALA 207 207 6024 1 . ASP 208 208 6024 1 . LYS 209 209 6024 1 . SER 210 210 6024 1 . GLY 211 211 6024 1 . ALA 212 212 6024 1 . GLY 213 213 6024 1 . GLU 214 214 6024 1 . ARG 215 215 6024 1 . GLY 216 216 6024 1 . SER 217 217 6024 1 . ARG 218 218 6024 1 . GLY 219 219 6024 1 . ILE 220 220 6024 1 . ILE 221 221 6024 1 . ALA 222 222 6024 1 . ALA 223 223 6024 1 . LEU 224 224 6024 1 . GLY 225 225 6024 1 . PRO 226 226 6024 1 . ASP 227 227 6024 1 . GLY 228 228 6024 1 . LYS 229 229 6024 1 . PRO 230 230 6024 1 . SER 231 231 6024 1 . ARG 232 232 6024 1 . ILE 233 233 6024 1 . VAL 234 234 6024 1 . VAL 235 235 6024 1 . ILE 236 236 6024 1 . TYR 237 237 6024 1 . THR 238 238 6024 1 . THR 239 239 6024 1 . GLY 240 240 6024 1 . SER 241 241 6024 1 . GLN 242 242 6024 1 . ALA 243 243 6024 1 . THR 244 244 6024 1 . MET 245 245 6024 1 . ASP 246 246 6024 1 . GLU 247 247 6024 1 . ARG 248 248 6024 1 . ASN 249 249 6024 1 . ARG 250 250 6024 1 . GLN 251 251 6024 1 . ILE 252 252 6024 1 . ALA 253 253 6024 1 . GLU 254 254 6024 1 . ILE 255 255 6024 1 . GLY 256 256 6024 1 . ALA 257 257 6024 1 . SER 258 258 6024 1 . LEU 259 259 6024 1 . ILE 260 260 6024 1 . LYS 261 261 6024 1 . HIS 262 262 6024 1 . TRP 263 263 6024 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 6024 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . periplasm . PBR322 . bla . . . . 6024 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 6024 _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 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pet24 . . . . . . 6024 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6024 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TEM-1 beta-lactamase' '[U-97.5% 15N]' . . 1 $TEM-1 . . 0.7 . . mM . . . . 6024 1 2 'sodium phosphate' . . . . . . . 25 . . mM . . . . 6024 1 3 Imidazole . . . . . . . 3.5 . . mM . . . . 6024 1 4 DSS . . . . . . . 0.1 . . mM . . . . 6024 1 5 'sodium azide' . . . . . . . 0.1 . . % . . . . 6024 1 6 D2O . . . . . . . 10 . . % . . . . 6024 1 7 H2O . . . . . . . 90 . . % . . . . 6024 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6024 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TEM-1 beta-lactamase' '[U-97.5% 13C; U-97.5% 15N]' . . 1 $TEM-1 . . 0.6 . . mM . . . . 6024 2 2 'sodium phosphate' . . . . . . . 25 . . mM . . . . 6024 2 3 Imidazole . . . . . . . 3.5 . . mM . . . . 6024 2 4 DSS . . . . . . . 0.1 . . mM . . . . 6024 2 5 'sodium azide' . . . . . . . 0.1 . . % . . . . 6024 2 6 D2O . . . . . . . 10 . . % . . . . 6024 2 7 H2O . . . . . . . 90 . . % . . . . 6024 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6024 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TEM-1 beta-lactamase' '[U-97.5% 13C; U-97.5% 15N; U-96% 2H]' . . 1 $TEM-1 . . 0.7 . . mM . . . . 6024 3 2 'sodium phosphate' . . . . . . . 25 . . mM . . . . 6024 3 3 Imidazole . . . . . . . 3.5 . . mM . . . . 6024 3 4 DSS . . . . . . . 0.1 . . mM . . . . 6024 3 5 'sodium azide' . . . . . . . 0.1 . . % . . . . 6024 3 6 D2O . . . . . . . 10 . . % . . . . 6024 3 7 H2O . . . . . . . 90 . . % . . . . 6024 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6024 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 0.02 na 6024 1 temperature 303 0.1 K 6024 1 'ionic strength' 0.05 . M 6024 1 stop_ save_ ############################ # Computer software used # ############################ save_Vnmr _Software.Sf_category software _Software.Sf_framecode Vnmr _Software.Entry_ID 6024 _Software.ID 1 _Software.Name Vnmr _Software.Version 6.1c _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Acquisition of NMR experiments' 6024 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6024 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Processing of NMR spectra' 6024 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6024 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Sequential assignment' 6024 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6024 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6024 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6024 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 6024 1 2 spectrometer_2 Varian INOVA . 800 . . . 6024 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6024 _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 'Chemical shifts were corrected for the TROSY experiments by adding 46.1Hz to' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6024 1 2 'the 1H shifts and removing 46.1Hz to the 15N shifts' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6024 1 3 'The 800MHz spectrometer used in this project is located at the NANUC (Alberta)' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6024 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6024 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 6024 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6024 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6024 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . 1 $entry_citation . . 1 $entry_citation 6024 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6024 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 'Chemical shifts were corrected for the TROSY experiments by adding 46.1Hz to' . . . 6024 1 2 'the 1H shifts and removing 46.1Hz to the 15N shifts' . . . 6024 1 3 'The 800MHz spectrometer used in this project is located at the NANUC (Alberta)' . . . 6024 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 CA C 13 64.821 0.20 . 1 . . . . . . . . 6024 1 2 . 1 1 2 2 PRO CB C 13 31.274 0.20 . 1 . . . . . . . . 6024 1 3 . 1 1 2 2 PRO C C 13 178.936 0.20 . 1 . . . . . . . . 6024 1 4 . 1 1 3 3 GLY N N 15 113.438 0.15 . 1 . . . . . . . . 6024 1 5 . 1 1 3 3 GLY H H 1 11.755 0.02 . 1 . . . . . . . . 6024 1 6 . 1 1 3 3 GLY CA C 13 45.866 0.20 . 1 . . . . . . . . 6024 1 7 . 1 1 3 3 GLY C C 13 177.109 0.20 . 1 . . . . . . . . 6024 1 8 . 1 1 4 4 THR N N 15 120.875 0.15 . 1 . . . . . . . . 6024 1 9 . 1 1 4 4 THR H H 1 7.720 0.02 . 1 . . . . . . . . 6024 1 10 . 1 1 4 4 THR CA C 13 64.369 0.20 . 1 . . . . . . . . 6024 1 11 . 1 1 4 4 THR CB C 13 67.165 0.20 . 1 . . . . . . . . 6024 1 12 . 1 1 4 4 THR C C 13 176.265 0.20 . 1 . . . . . . . . 6024 1 13 . 1 1 5 5 LEU N N 15 120.152 0.15 . 1 . . . . . . . . 6024 1 14 . 1 1 5 5 LEU H H 1 7.124 0.02 . 1 . . . . . . . . 6024 1 15 . 1 1 5 5 LEU CA C 13 57.055 0.20 . 1 . . . . . . . . 6024 1 16 . 1 1 5 5 LEU CB C 13 39.925 0.20 . 1 . . . . . . . . 6024 1 17 . 1 1 5 5 LEU C C 13 179.040 0.20 . 1 . . . . . . . . 6024 1 18 . 1 1 6 6 VAL N N 15 118.665 0.15 . 1 . . . . . . . . 6024 1 19 . 1 1 6 6 VAL H H 1 7.593 0.02 . 1 . . . . . . . . 6024 1 20 . 1 1 6 6 VAL CA C 13 66.235 0.20 . 1 . . . . . . . . 6024 1 21 . 1 1 6 6 VAL CB C 13 30.731 0.20 . 1 . . . . . . . . 6024 1 22 . 1 1 6 6 VAL C C 13 178.500 0.20 . 1 . . . . . . . . 6024 1 23 . 1 1 7 7 LYS N N 15 119.182 0.15 . 1 . . . . . . . . 6024 1 24 . 1 1 7 7 LYS H H 1 7.050 0.02 . 1 . . . . . . . . 6024 1 25 . 1 1 7 7 LYS CA C 13 56.434 0.20 . 1 . . . . . . . . 6024 1 26 . 1 1 7 7 LYS CB C 13 29.441 0.20 . 1 . . . . . . . . 6024 1 27 . 1 1 7 7 LYS C C 13 178.241 0.20 . 1 . . . . . . . . 6024 1 28 . 1 1 8 8 VAL N N 15 122.819 0.15 . 1 . . . . . . . . 6024 1 29 . 1 1 8 8 VAL H H 1 8.294 0.02 . 1 . . . . . . . . 6024 1 30 . 1 1 8 8 VAL CA C 13 66.783 0.20 . 1 . . . . . . . . 6024 1 31 . 1 1 8 8 VAL CB C 13 30.224 0.20 . 1 . . . . . . . . 6024 1 32 . 1 1 8 8 VAL C C 13 176.849 0.20 . 1 . . . . . . . . 6024 1 33 . 1 1 9 9 LYS N N 15 117.932 0.15 . 1 . . . . . . . . 6024 1 34 . 1 1 9 9 LYS H H 1 7.707 0.02 . 1 . . . . . . . . 6024 1 35 . 1 1 9 9 LYS CA C 13 59.353 0.20 . 1 . . . . . . . . 6024 1 36 . 1 1 9 9 LYS CB C 13 30.885 0.20 . 1 . . . . . . . . 6024 1 37 . 1 1 9 9 LYS C C 13 179.290 0.20 . 1 . . . . . . . . 6024 1 38 . 1 1 10 10 ASP N N 15 120.021 0.15 . 1 . . . . . . . . 6024 1 39 . 1 1 10 10 ASP H H 1 8.149 0.02 . 1 . . . . . . . . 6024 1 40 . 1 1 10 10 ASP CA C 13 57.021 0.20 . 1 . . . . . . . . 6024 1 41 . 1 1 10 10 ASP CB C 13 41.574 0.20 . 1 . . . . . . . . 6024 1 42 . 1 1 10 10 ASP C C 13 178.047 0.20 . 1 . . . . . . . . 6024 1 43 . 1 1 11 11 ALA N N 15 121.756 0.15 . 1 . . . . . . . . 6024 1 44 . 1 1 11 11 ALA H H 1 8.551 0.02 . 1 . . . . . . . . 6024 1 45 . 1 1 11 11 ALA CA C 13 54.867 0.20 . 1 . . . . . . . . 6024 1 46 . 1 1 11 11 ALA CB C 13 17.508 0.20 . 1 . . . . . . . . 6024 1 47 . 1 1 11 11 ALA C C 13 179.583 0.20 . 1 . . . . . . . . 6024 1 48 . 1 1 12 12 GLU N N 15 117.511 0.15 . 1 . . . . . . . . 6024 1 49 . 1 1 12 12 GLU H H 1 7.921 0.02 . 1 . . . . . . . . 6024 1 50 . 1 1 12 12 GLU CA C 13 60.466 0.20 . 1 . . . . . . . . 6024 1 51 . 1 1 12 12 GLU CB C 13 28.468 0.20 . 1 . . . . . . . . 6024 1 52 . 1 1 12 12 GLU C C 13 180.498 0.20 . 1 . . . . . . . . 6024 1 53 . 1 1 13 13 ASP N N 15 119.816 0.15 . 1 . . . . . . . . 6024 1 54 . 1 1 13 13 ASP H H 1 7.933 0.02 . 1 . . . . . . . . 6024 1 55 . 1 1 13 13 ASP CA C 13 56.833 0.20 . 1 . . . . . . . . 6024 1 56 . 1 1 13 13 ASP CB C 13 40.296 0.20 . 1 . . . . . . . . 6024 1 57 . 1 1 13 13 ASP C C 13 179.183 0.20 . 1 . . . . . . . . 6024 1 58 . 1 1 14 14 GLN N N 15 118.201 0.15 . 1 . . . . . . . . 6024 1 59 . 1 1 14 14 GLN H H 1 8.857 0.02 . 1 . . . . . . . . 6024 1 60 . 1 1 14 14 GLN CA C 13 58.031 0.20 . 1 . . . . . . . . 6024 1 61 . 1 1 14 14 GLN CB C 13 27.760 0.20 . 1 . . . . . . . . 6024 1 62 . 1 1 14 14 GLN C C 13 179.215 0.20 . 1 . . . . . . . . 6024 1 63 . 1 1 15 15 LEU N N 15 114.186 0.15 . 1 . . . . . . . . 6024 1 64 . 1 1 15 15 LEU H H 1 8.723 0.02 . 1 . . . . . . . . 6024 1 65 . 1 1 15 15 LEU CA C 13 54.453 0.20 . 1 . . . . . . . . 6024 1 66 . 1 1 15 15 LEU CB C 13 41.708 0.20 . 1 . . . . . . . . 6024 1 67 . 1 1 15 15 LEU C C 13 179.005 0.20 . 1 . . . . . . . . 6024 1 68 . 1 1 16 16 GLY N N 15 112.749 0.15 . 1 . . . . . . . . 6024 1 69 . 1 1 16 16 GLY H H 1 8.102 0.02 . 1 . . . . . . . . 6024 1 70 . 1 1 16 16 GLY CA C 13 46.880 0.20 . 1 . . . . . . . . 6024 1 71 . 1 1 16 16 GLY C C 13 174.036 0.20 . 1 . . . . . . . . 6024 1 72 . 1 1 17 17 ALA N N 15 119.325 0.15 . 1 . . . . . . . . 6024 1 73 . 1 1 17 17 ALA H H 1 7.717 0.02 . 1 . . . . . . . . 6024 1 74 . 1 1 17 17 ALA CA C 13 50.351 0.20 . 1 . . . . . . . . 6024 1 75 . 1 1 17 17 ALA CB C 13 23.130 0.20 . 1 . . . . . . . . 6024 1 76 . 1 1 17 17 ALA C C 13 174.817 0.20 . 1 . . . . . . . . 6024 1 77 . 1 1 18 18 ARG N N 15 115.173 0.15 . 1 . . . . . . . . 6024 1 78 . 1 1 18 18 ARG H H 1 7.628 0.02 . 1 . . . . . . . . 6024 1 79 . 1 1 18 18 ARG CA C 13 55.406 0.20 . 1 . . . . . . . . 6024 1 80 . 1 1 18 18 ARG CB C 13 32.201 0.20 . 1 . . . . . . . . 6024 1 81 . 1 1 18 18 ARG C C 13 177.697 0.20 . 1 . . . . . . . . 6024 1 82 . 1 1 19 19 VAL N N 15 128.083 0.15 . 1 . . . . . . . . 6024 1 83 . 1 1 19 19 VAL H H 1 10.588 0.02 . 1 . . . . . . . . 6024 1 84 . 1 1 19 19 VAL CA C 13 60.896 0.20 . 1 . . . . . . . . 6024 1 85 . 1 1 19 19 VAL CB C 13 33.309 0.20 . 1 . . . . . . . . 6024 1 86 . 1 1 19 19 VAL C C 13 172.747 0.20 . 1 . . . . . . . . 6024 1 87 . 1 1 20 20 GLY N N 15 111.016 0.15 . 1 . . . . . . . . 6024 1 88 . 1 1 20 20 GLY H H 1 8.882 0.02 . 1 . . . . . . . . 6024 1 89 . 1 1 20 20 GLY CA C 13 43.532 0.20 . 1 . . . . . . . . 6024 1 90 . 1 1 20 20 GLY C C 13 172.438 0.20 . 1 . . . . . . . . 6024 1 91 . 1 1 21 21 TYR N N 15 123.906 0.15 . 1 . . . . . . . . 6024 1 92 . 1 1 21 21 TYR H H 1 9.462 0.02 . 1 . . . . . . . . 6024 1 93 . 1 1 21 21 TYR CA C 13 56.572 0.20 . 1 . . . . . . . . 6024 1 94 . 1 1 21 21 TYR CB C 13 44.174 0.20 . 1 . . . . . . . . 6024 1 95 . 1 1 21 21 TYR C C 13 174.054 0.20 . 1 . . . . . . . . 6024 1 96 . 1 1 22 22 ILE N N 15 125.426 0.15 . 1 . . . . . . . . 6024 1 97 . 1 1 22 22 ILE H H 1 8.056 0.02 . 1 . . . . . . . . 6024 1 98 . 1 1 22 22 ILE CA C 13 58.975 0.20 . 1 . . . . . . . . 6024 1 99 . 1 1 22 22 ILE CB C 13 40.910 0.20 . 1 . . . . . . . . 6024 1 100 . 1 1 22 22 ILE C C 13 171.328 0.20 . 1 . . . . . . . . 6024 1 101 . 1 1 23 23 GLU N N 15 123.658 0.15 . 1 . . . . . . . . 6024 1 102 . 1 1 23 23 GLU H H 1 7.812 0.02 . 1 . . . . . . . . 6024 1 103 . 1 1 23 23 GLU CA C 13 53.821 0.20 . 1 . . . . . . . . 6024 1 104 . 1 1 23 23 GLU CB C 13 33.707 0.20 . 1 . . . . . . . . 6024 1 105 . 1 1 23 23 GLU C C 13 175.006 0.20 . 1 . . . . . . . . 6024 1 106 . 1 1 24 24 LEU N N 15 126.524 0.15 . 1 . . . . . . . . 6024 1 107 . 1 1 24 24 LEU H H 1 9.708 0.02 . 1 . . . . . . . . 6024 1 108 . 1 1 24 24 LEU CA C 13 52.795 0.20 . 1 . . . . . . . . 6024 1 109 . 1 1 24 24 LEU CB C 13 46.004 0.20 . 1 . . . . . . . . 6024 1 110 . 1 1 24 24 LEU C C 13 175.749 0.20 . 1 . . . . . . . . 6024 1 111 . 1 1 25 25 ASP N N 15 125.983 0.15 . 1 . . . . . . . . 6024 1 112 . 1 1 25 25 ASP H H 1 9.037 0.02 . 1 . . . . . . . . 6024 1 113 . 1 1 25 25 ASP CA C 13 55.049 0.20 . 1 . . . . . . . . 6024 1 114 . 1 1 25 25 ASP CB C 13 42.454 0.20 . 1 . . . . . . . . 6024 1 115 . 1 1 25 25 ASP C C 13 176.773 0.20 . 1 . . . . . . . . 6024 1 116 . 1 1 26 26 LEU N N 15 128.687 0.15 . 1 . . . . . . . . 6024 1 117 . 1 1 26 26 LEU H H 1 8.272 0.02 . 1 . . . . . . . . 6024 1 118 . 1 1 26 26 LEU CA C 13 58.258 0.20 . 1 . . . . . . . . 6024 1 119 . 1 1 26 26 LEU CB C 13 42.120 0.20 . 1 . . . . . . . . 6024 1 120 . 1 1 26 26 LEU C C 13 177.594 0.20 . 1 . . . . . . . . 6024 1 121 . 1 1 27 27 ASN N N 15 116.374 0.15 . 1 . . . . . . . . 6024 1 122 . 1 1 27 27 ASN H H 1 8.670 0.02 . 1 . . . . . . . . 6024 1 123 . 1 1 27 27 ASN CA C 13 55.942 0.20 . 1 . . . . . . . . 6024 1 124 . 1 1 27 27 ASN CB C 13 38.201 0.20 . 1 . . . . . . . . 6024 1 125 . 1 1 27 27 ASN C C 13 176.973 0.20 . 1 . . . . . . . . 6024 1 126 . 1 1 28 28 SER N N 15 112.723 0.15 . 1 . . . . . . . . 6024 1 127 . 1 1 28 28 SER H H 1 8.590 0.02 . 1 . . . . . . . . 6024 1 128 . 1 1 28 28 SER CA C 13 58.658 0.20 . 1 . . . . . . . . 6024 1 129 . 1 1 28 28 SER CB C 13 65.085 0.20 . 1 . . . . . . . . 6024 1 130 . 1 1 28 28 SER C C 13 176.514 0.20 . 1 . . . . . . . . 6024 1 131 . 1 1 29 29 GLY N N 15 112.144 0.15 . 1 . . . . . . . . 6024 1 132 . 1 1 29 29 GLY H H 1 8.009 0.02 . 1 . . . . . . . . 6024 1 133 . 1 1 29 29 GLY CA C 13 45.182 0.20 . 1 . . . . . . . . 6024 1 134 . 1 1 29 29 GLY C C 13 172.397 0.20 . 1 . . . . . . . . 6024 1 135 . 1 1 30 30 LYS N N 15 119.270 0.15 . 1 . . . . . . . . 6024 1 136 . 1 1 30 30 LYS H H 1 7.688 0.02 . 1 . . . . . . . . 6024 1 137 . 1 1 30 30 LYS CA C 13 56.123 0.20 . 1 . . . . . . . . 6024 1 138 . 1 1 30 30 LYS CB C 13 32.711 0.20 . 1 . . . . . . . . 6024 1 139 . 1 1 30 30 LYS C C 13 176.153 0.20 . 1 . . . . . . . . 6024 1 140 . 1 1 31 31 ILE N N 15 124.529 0.15 . 1 . . . . . . . . 6024 1 141 . 1 1 31 31 ILE H H 1 8.652 0.02 . 1 . . . . . . . . 6024 1 142 . 1 1 31 31 ILE CA C 13 62.200 0.20 . 1 . . . . . . . . 6024 1 143 . 1 1 31 31 ILE CB C 13 36.775 0.20 . 1 . . . . . . . . 6024 1 144 . 1 1 31 31 ILE C C 13 176.146 0.20 . 1 . . . . . . . . 6024 1 145 . 1 1 32 32 LEU N N 15 130.153 0.15 . 1 . . . . . . . . 6024 1 146 . 1 1 32 32 LEU H H 1 8.962 0.02 . 1 . . . . . . . . 6024 1 147 . 1 1 32 32 LEU CA C 13 55.373 0.20 . 1 . . . . . . . . 6024 1 148 . 1 1 32 32 LEU CB C 13 41.254 0.20 . 1 . . . . . . . . 6024 1 149 . 1 1 32 32 LEU C C 13 177.106 0.20 . 1 . . . . . . . . 6024 1 150 . 1 1 33 33 GLU N N 15 115.700 0.15 . 1 . . . . . . . . 6024 1 151 . 1 1 33 33 GLU H H 1 7.577 0.02 . 1 . . . . . . . . 6024 1 152 . 1 1 33 33 GLU CA C 13 54.626 0.20 . 1 . . . . . . . . 6024 1 153 . 1 1 33 33 GLU CB C 13 33.021 0.20 . 1 . . . . . . . . 6024 1 154 . 1 1 33 33 GLU C C 13 174.476 0.20 . 1 . . . . . . . . 6024 1 155 . 1 1 34 34 SER N N 15 115.564 0.15 . 1 . . . . . . . . 6024 1 156 . 1 1 34 34 SER H H 1 9.030 0.02 . 1 . . . . . . . . 6024 1 157 . 1 1 34 34 SER CA C 13 57.561 0.20 . 1 . . . . . . . . 6024 1 158 . 1 1 34 34 SER CB C 13 66.457 0.20 . 1 . . . . . . . . 6024 1 159 . 1 1 34 34 SER C C 13 171.985 0.20 . 1 . . . . . . . . 6024 1 160 . 1 1 35 35 PHE N N 15 122.241 0.15 . 1 . . . . . . . . 6024 1 161 . 1 1 35 35 PHE H H 1 9.570 0.02 . 1 . . . . . . . . 6024 1 162 . 1 1 35 35 PHE CA C 13 59.467 0.20 . 1 . . . . . . . . 6024 1 163 . 1 1 35 35 PHE CB C 13 42.921 0.20 . 1 . . . . . . . . 6024 1 164 . 1 1 35 35 PHE C C 13 173.271 0.20 . 1 . . . . . . . . 6024 1 165 . 1 1 36 36 ARG N N 15 121.627 0.15 . 1 . . . . . . . . 6024 1 166 . 1 1 36 36 ARG H H 1 8.759 0.02 . 1 . . . . . . . . 6024 1 167 . 1 1 36 36 ARG CA C 13 57.317 0.20 . 1 . . . . . . . . 6024 1 168 . 1 1 36 36 ARG CB C 13 27.524 0.20 . 1 . . . . . . . . 6024 1 169 . 1 1 36 36 ARG C C 13 173.334 0.20 . 1 . . . . . . . . 6024 1 170 . 1 1 37 37 PRO CA C 13 64.834 0.20 . 1 . . . . . . . . 6024 1 171 . 1 1 37 37 PRO CB C 13 31.834 0.20 . 1 . . . . . . . . 6024 1 172 . 1 1 37 37 PRO C C 13 177.561 0.20 . 1 . . . . . . . . 6024 1 173 . 1 1 38 38 GLU N N 15 116.320 0.15 . 1 . . . . . . . . 6024 1 174 . 1 1 38 38 GLU H H 1 8.487 0.02 . 1 . . . . . . . . 6024 1 175 . 1 1 38 38 GLU CA C 13 54.543 0.20 . 1 . . . . . . . . 6024 1 176 . 1 1 38 38 GLU CB C 13 28.427 0.20 . 1 . . . . . . . . 6024 1 177 . 1 1 38 38 GLU C C 13 175.089 0.20 . 1 . . . . . . . . 6024 1 178 . 1 1 39 39 GLU N N 15 117.215 0.15 . 1 . . . . . . . . 6024 1 179 . 1 1 39 39 GLU H H 1 6.850 0.02 . 1 . . . . . . . . 6024 1 180 . 1 1 39 39 GLU CA C 13 54.552 0.20 . 1 . . . . . . . . 6024 1 181 . 1 1 39 39 GLU CB C 13 31.330 0.20 . 1 . . . . . . . . 6024 1 182 . 1 1 39 39 GLU C C 13 174.883 0.20 . 1 . . . . . . . . 6024 1 183 . 1 1 40 40 ARG N N 15 116.861 0.15 . 1 . . . . . . . . 6024 1 184 . 1 1 40 40 ARG H H 1 8.281 0.02 . 1 . . . . . . . . 6024 1 185 . 1 1 40 40 ARG CA C 13 55.473 0.20 . 1 . . . . . . . . 6024 1 186 . 1 1 40 40 ARG CB C 13 31.096 0.20 . 1 . . . . . . . . 6024 1 187 . 1 1 40 40 ARG C C 13 177.251 0.20 . 1 . . . . . . . . 6024 1 188 . 1 1 41 41 PHE N N 15 117.562 0.15 . 1 . . . . . . . . 6024 1 189 . 1 1 41 41 PHE H H 1 8.725 0.02 . 1 . . . . . . . . 6024 1 190 . 1 1 41 41 PHE CA C 13 55.345 0.20 . 1 . . . . . . . . 6024 1 191 . 1 1 41 41 PHE CB C 13 41.612 0.20 . 1 . . . . . . . . 6024 1 192 . 1 1 41 41 PHE C C 13 172.501 0.20 . 1 . . . . . . . . 6024 1 193 . 1 1 42 42 PRO CA C 13 62.317 0.20 . 1 . . . . . . . . 6024 1 194 . 1 1 42 42 PRO CB C 13 31.460 0.20 . 1 . . . . . . . . 6024 1 195 . 1 1 42 42 PRO C C 13 176.245 0.20 . 1 . . . . . . . . 6024 1 196 . 1 1 43 43 MET N N 15 119.100 0.15 . 1 . . . . . . . . 6024 1 197 . 1 1 43 43 MET H H 1 7.782 0.02 . 1 . . . . . . . . 6024 1 198 . 1 1 43 43 MET CA C 13 57.900 0.20 . 1 . . . . . . . . 6024 1 199 . 1 1 43 43 MET CB C 13 34.614 0.20 . 1 . . . . . . . . 6024 1 200 . 1 1 43 43 MET C C 13 179.714 0.20 . 1 . . . . . . . . 6024 1 201 . 1 1 44 44 MET N N 15 120.469 0.15 . 1 . . . . . . . . 6024 1 202 . 1 1 44 44 MET H H 1 10.514 0.02 . 1 . . . . . . . . 6024 1 203 . 1 1 44 44 MET CA C 13 55.924 0.20 . 1 . . . . . . . . 6024 1 204 . 1 1 44 44 MET CB C 13 30.661 0.20 . 1 . . . . . . . . 6024 1 205 . 1 1 44 44 MET C C 13 177.161 0.20 . 1 . . . . . . . . 6024 1 206 . 1 1 45 45 SER N N 15 110.507 0.15 . 1 . . . . . . . . 6024 1 207 . 1 1 45 45 SER H H 1 7.895 0.02 . 1 . . . . . . . . 6024 1 208 . 1 1 45 45 SER CA C 13 57.015 0.20 . 1 . . . . . . . . 6024 1 209 . 1 1 45 45 SER CB C 13 65.358 0.20 . 1 . . . . . . . . 6024 1 210 . 1 1 45 45 SER C C 13 176.162 0.20 . 1 . . . . . . . . 6024 1 211 . 1 1 46 46 THR N N 15 111.993 0.15 . 1 . . . . . . . . 6024 1 212 . 1 1 46 46 THR H H 1 7.904 0.02 . 1 . . . . . . . . 6024 1 213 . 1 1 46 46 THR CA C 13 65.564 0.20 . 1 . . . . . . . . 6024 1 214 . 1 1 46 46 THR CB C 13 68.706 0.20 . 1 . . . . . . . . 6024 1 215 . 1 1 46 46 THR C C 13 175.311 0.20 . 1 . . . . . . . . 6024 1 216 . 1 1 47 47 PHE N N 15 116.676 0.15 . 1 . . . . . . . . 6024 1 217 . 1 1 47 47 PHE H H 1 7.738 0.02 . 1 . . . . . . . . 6024 1 218 . 1 1 47 47 PHE CA C 13 59.014 0.20 . 1 . . . . . . . . 6024 1 219 . 1 1 47 47 PHE CB C 13 38.687 0.20 . 1 . . . . . . . . 6024 1 220 . 1 1 47 47 PHE C C 13 176.612 0.20 . 1 . . . . . . . . 6024 1 221 . 1 1 48 48 LYS N N 15 121.930 0.15 . 1 . . . . . . . . 6024 1 222 . 1 1 48 48 LYS H H 1 7.405 0.02 . 1 . . . . . . . . 6024 1 223 . 1 1 48 48 LYS CA C 13 59.530 0.20 . 1 . . . . . . . . 6024 1 224 . 1 1 48 48 LYS CB C 13 30.735 0.20 . 1 . . . . . . . . 6024 1 225 . 1 1 48 48 LYS C C 13 177.457 0.20 . 1 . . . . . . . . 6024 1 226 . 1 1 49 49 VAL N N 15 115.225 0.15 . 1 . . . . . . . . 6024 1 227 . 1 1 49 49 VAL H H 1 6.607 0.02 . 1 . . . . . . . . 6024 1 228 . 1 1 49 49 VAL CA C 13 65.958 0.20 . 1 . . . . . . . . 6024 1 229 . 1 1 49 49 VAL CB C 13 31.787 0.20 . 1 . . . . . . . . 6024 1 230 . 1 1 49 49 VAL C C 13 176.045 0.20 . 1 . . . . . . . . 6024 1 231 . 1 1 50 50 LEU N N 15 117.496 0.15 . 1 . . . . . . . . 6024 1 232 . 1 1 50 50 LEU H H 1 6.627 0.02 . 1 . . . . . . . . 6024 1 233 . 1 1 50 50 LEU CA C 13 56.904 0.20 . 1 . . . . . . . . 6024 1 234 . 1 1 50 50 LEU CB C 13 39.626 0.20 . 1 . . . . . . . . 6024 1 235 . 1 1 50 50 LEU C C 13 178.096 0.20 . 1 . . . . . . . . 6024 1 236 . 1 1 51 51 LEU N N 15 116.509 0.15 . 1 . . . . . . . . 6024 1 237 . 1 1 51 51 LEU H H 1 8.012 0.02 . 1 . . . . . . . . 6024 1 238 . 1 1 51 51 LEU CA C 13 56.976 0.20 . 1 . . . . . . . . 6024 1 239 . 1 1 51 51 LEU CB C 13 41.413 0.20 . 1 . . . . . . . . 6024 1 240 . 1 1 51 51 LEU C C 13 177.249 0.20 . 1 . . . . . . . . 6024 1 241 . 1 1 52 52 CYS N N 15 113.477 0.15 . 1 . . . . . . . . 6024 1 242 . 1 1 52 52 CYS H H 1 7.438 0.02 . 1 . . . . . . . . 6024 1 243 . 1 1 52 52 CYS CA C 13 63.350 0.20 . 1 . . . . . . . . 6024 1 244 . 1 1 52 52 CYS CB C 13 44.289 0.20 . 1 . . . . . . . . 6024 1 245 . 1 1 52 52 CYS C C 13 175.654 0.20 . 1 . . . . . . . . 6024 1 246 . 1 1 53 53 GLY N N 15 110.817 0.15 . 1 . . . . . . . . 6024 1 247 . 1 1 53 53 GLY H H 1 8.362 0.02 . 1 . . . . . . . . 6024 1 248 . 1 1 53 53 GLY CA C 13 47.406 0.20 . 1 . . . . . . . . 6024 1 249 . 1 1 53 53 GLY C C 13 173.135 0.20 . 1 . . . . . . . . 6024 1 250 . 1 1 54 54 ALA N N 15 124.395 0.15 . 1 . . . . . . . . 6024 1 251 . 1 1 54 54 ALA H H 1 7.795 0.02 . 1 . . . . . . . . 6024 1 252 . 1 1 54 54 ALA CA C 13 54.556 0.20 . 1 . . . . . . . . 6024 1 253 . 1 1 54 54 ALA CB C 13 15.857 0.20 . 1 . . . . . . . . 6024 1 254 . 1 1 54 54 ALA C C 13 181.011 0.20 . 1 . . . . . . . . 6024 1 255 . 1 1 55 55 VAL N N 15 119.188 0.15 . 1 . . . . . . . . 6024 1 256 . 1 1 55 55 VAL H H 1 7.983 0.02 . 1 . . . . . . . . 6024 1 257 . 1 1 55 55 VAL CA C 13 66.308 0.20 . 1 . . . . . . . . 6024 1 258 . 1 1 55 55 VAL CB C 13 31.205 0.20 . 1 . . . . . . . . 6024 1 259 . 1 1 55 55 VAL C C 13 178.092 0.20 . 1 . . . . . . . . 6024 1 260 . 1 1 56 56 LEU N N 15 119.047 0.15 . 1 . . . . . . . . 6024 1 261 . 1 1 56 56 LEU H H 1 8.478 0.02 . 1 . . . . . . . . 6024 1 262 . 1 1 56 56 LEU CA C 13 57.430 0.20 . 1 . . . . . . . . 6024 1 263 . 1 1 56 56 LEU CB C 13 39.595 0.20 . 1 . . . . . . . . 6024 1 264 . 1 1 56 56 LEU C C 13 178.283 0.20 . 1 . . . . . . . . 6024 1 265 . 1 1 57 57 SER N N 15 115.458 0.15 . 1 . . . . . . . . 6024 1 266 . 1 1 57 57 SER H H 1 8.153 0.02 . 1 . . . . . . . . 6024 1 267 . 1 1 57 57 SER CA C 13 61.319 0.20 . 1 . . . . . . . . 6024 1 268 . 1 1 57 57 SER CB C 13 62.448 0.20 . 1 . . . . . . . . 6024 1 269 . 1 1 57 57 SER C C 13 177.999 0.20 . 1 . . . . . . . . 6024 1 270 . 1 1 58 58 ARG N N 15 121.700 0.15 . 1 . . . . . . . . 6024 1 271 . 1 1 58 58 ARG H H 1 7.495 0.02 . 1 . . . . . . . . 6024 1 272 . 1 1 58 58 ARG CA C 13 58.904 0.20 . 1 . . . . . . . . 6024 1 273 . 1 1 58 58 ARG CB C 13 29.380 0.20 . 1 . . . . . . . . 6024 1 274 . 1 1 58 58 ARG C C 13 179.471 0.20 . 1 . . . . . . . . 6024 1 275 . 1 1 59 59 VAL N N 15 124.219 0.15 . 1 . . . . . . . . 6024 1 276 . 1 1 59 59 VAL H H 1 8.290 0.02 . 1 . . . . . . . . 6024 1 277 . 1 1 59 59 VAL CA C 13 64.636 0.20 . 1 . . . . . . . . 6024 1 278 . 1 1 59 59 VAL CB C 13 30.118 0.20 . 1 . . . . . . . . 6024 1 279 . 1 1 59 59 VAL C C 13 180.889 0.20 . 1 . . . . . . . . 6024 1 280 . 1 1 60 60 ASP N N 15 123.135 0.15 . 1 . . . . . . . . 6024 1 281 . 1 1 60 60 ASP H H 1 9.080 0.02 . 1 . . . . . . . . 6024 1 282 . 1 1 60 60 ASP CA C 13 56.853 0.20 . 1 . . . . . . . . 6024 1 283 . 1 1 60 60 ASP CB C 13 40.242 0.20 . 1 . . . . . . . . 6024 1 284 . 1 1 60 60 ASP C C 13 177.792 0.20 . 1 . . . . . . . . 6024 1 285 . 1 1 61 61 ALA N N 15 118.359 0.15 . 1 . . . . . . . . 6024 1 286 . 1 1 61 61 ALA H H 1 7.512 0.02 . 1 . . . . . . . . 6024 1 287 . 1 1 61 61 ALA CA C 13 51.867 0.20 . 1 . . . . . . . . 6024 1 288 . 1 1 61 61 ALA CB C 13 18.650 0.20 . 1 . . . . . . . . 6024 1 289 . 1 1 61 61 ALA C C 13 177.938 0.20 . 1 . . . . . . . . 6024 1 290 . 1 1 62 62 GLY N N 15 107.538 0.15 . 1 . . . . . . . . 6024 1 291 . 1 1 62 62 GLY H H 1 8.197 0.02 . 1 . . . . . . . . 6024 1 292 . 1 1 62 62 GLY CA C 13 45.354 0.20 . 1 . . . . . . . . 6024 1 293 . 1 1 62 62 GLY C C 13 174.937 0.20 . 1 . . . . . . . . 6024 1 294 . 1 1 63 63 GLN N N 15 117.161 0.15 . 1 . . . . . . . . 6024 1 295 . 1 1 63 63 GLN H H 1 8.393 0.02 . 1 . . . . . . . . 6024 1 296 . 1 1 63 63 GLN CA C 13 55.254 0.20 . 1 . . . . . . . . 6024 1 297 . 1 1 63 63 GLN CB C 13 29.453 0.20 . 1 . . . . . . . . 6024 1 298 . 1 1 63 63 GLN C C 13 173.547 0.20 . 1 . . . . . . . . 6024 1 299 . 1 1 64 64 GLU N N 15 117.894 0.15 . 1 . . . . . . . . 6024 1 300 . 1 1 64 64 GLU H H 1 7.344 0.02 . 1 . . . . . . . . 6024 1 301 . 1 1 64 64 GLU CA C 13 52.485 0.20 . 1 . . . . . . . . 6024 1 302 . 1 1 64 64 GLU CB C 13 32.917 0.20 . 1 . . . . . . . . 6024 1 303 . 1 1 64 64 GLU C C 13 172.724 0.20 . 1 . . . . . . . . 6024 1 304 . 1 1 65 65 GLN N N 15 124.922 0.15 . 1 . . . . . . . . 6024 1 305 . 1 1 65 65 GLN H H 1 10.070 0.02 . 1 . . . . . . . . 6024 1 306 . 1 1 65 65 GLN CA C 13 54.426 0.20 . 1 . . . . . . . . 6024 1 307 . 1 1 65 65 GLN CB C 13 30.600 0.20 . 1 . . . . . . . . 6024 1 308 . 1 1 65 65 GLN C C 13 176.103 0.20 . 1 . . . . . . . . 6024 1 309 . 1 1 66 66 LEU N N 15 122.781 0.15 . 1 . . . . . . . . 6024 1 310 . 1 1 66 66 LEU H H 1 9.049 0.02 . 1 . . . . . . . . 6024 1 311 . 1 1 66 66 LEU CA C 13 57.238 0.20 . 1 . . . . . . . . 6024 1 312 . 1 1 66 66 LEU CB C 13 40.532 0.20 . 1 . . . . . . . . 6024 1 313 . 1 1 66 66 LEU C C 13 177.388 0.20 . 1 . . . . . . . . 6024 1 314 . 1 1 67 67 GLY N N 15 101.910 0.15 . 1 . . . . . . . . 6024 1 315 . 1 1 67 67 GLY H H 1 8.367 0.02 . 1 . . . . . . . . 6024 1 316 . 1 1 67 67 GLY CA C 13 44.100 0.20 . 1 . . . . . . . . 6024 1 317 . 1 1 67 67 GLY C C 13 173.889 0.20 . 1 . . . . . . . . 6024 1 318 . 1 1 68 68 ARG N N 15 122.405 0.15 . 1 . . . . . . . . 6024 1 319 . 1 1 68 68 ARG H H 1 7.340 0.02 . 1 . . . . . . . . 6024 1 320 . 1 1 68 68 ARG CA C 13 57.528 0.20 . 1 . . . . . . . . 6024 1 321 . 1 1 68 68 ARG CB C 13 30.863 0.20 . 1 . . . . . . . . 6024 1 322 . 1 1 68 68 ARG C C 13 174.748 0.20 . 1 . . . . . . . . 6024 1 323 . 1 1 69 69 ARG N N 15 127.016 0.15 . 1 . . . . . . . . 6024 1 324 . 1 1 69 69 ARG H H 1 8.516 0.02 . 1 . . . . . . . . 6024 1 325 . 1 1 69 69 ARG CA C 13 56.092 0.20 . 1 . . . . . . . . 6024 1 326 . 1 1 69 69 ARG CB C 13 30.657 0.20 . 1 . . . . . . . . 6024 1 327 . 1 1 69 69 ARG C C 13 174.521 0.20 . 1 . . . . . . . . 6024 1 328 . 1 1 70 70 ILE N N 15 130.053 0.15 . 1 . . . . . . . . 6024 1 329 . 1 1 70 70 ILE H H 1 9.103 0.02 . 1 . . . . . . . . 6024 1 330 . 1 1 70 70 ILE CA C 13 59.984 0.20 . 1 . . . . . . . . 6024 1 331 . 1 1 70 70 ILE CB C 13 38.097 0.20 . 1 . . . . . . . . 6024 1 332 . 1 1 70 70 ILE C C 13 174.582 0.20 . 1 . . . . . . . . 6024 1 333 . 1 1 71 71 HIS N N 15 124.314 0.15 . 1 . . . . . . . . 6024 1 334 . 1 1 71 71 HIS H H 1 8.461 0.02 . 1 . . . . . . . . 6024 1 335 . 1 1 71 71 HIS CA C 13 54.990 0.20 . 1 . . . . . . . . 6024 1 336 . 1 1 71 71 HIS CB C 13 30.326 0.20 . 1 . . . . . . . . 6024 1 337 . 1 1 71 71 HIS C C 13 174.140 0.20 . 1 . . . . . . . . 6024 1 338 . 1 1 72 72 TYR N N 15 120.727 0.15 . 1 . . . . . . . . 6024 1 339 . 1 1 72 72 TYR H H 1 8.474 0.02 . 1 . . . . . . . . 6024 1 340 . 1 1 72 72 TYR CA C 13 55.620 0.20 . 1 . . . . . . . . 6024 1 341 . 1 1 72 72 TYR CB C 13 37.991 0.20 . 1 . . . . . . . . 6024 1 342 . 1 1 72 72 TYR C C 13 173.054 0.20 . 1 . . . . . . . . 6024 1 343 . 1 1 73 73 SER N N 15 114.374 0.15 . 1 . . . . . . . . 6024 1 344 . 1 1 73 73 SER H H 1 9.446 0.02 . 1 . . . . . . . . 6024 1 345 . 1 1 73 73 SER CA C 13 56.614 0.20 . 1 . . . . . . . . 6024 1 346 . 1 1 73 73 SER CB C 13 66.666 0.20 . 1 . . . . . . . . 6024 1 347 . 1 1 73 73 SER C C 13 175.717 0.20 . 1 . . . . . . . . 6024 1 348 . 1 1 74 74 GLN N N 15 121.629 0.15 . 1 . . . . . . . . 6024 1 349 . 1 1 74 74 GLN H H 1 9.069 0.02 . 1 . . . . . . . . 6024 1 350 . 1 1 74 74 GLN CA C 13 58.602 0.20 . 1 . . . . . . . . 6024 1 351 . 1 1 74 74 GLN CB C 13 27.375 0.20 . 1 . . . . . . . . 6024 1 352 . 1 1 74 74 GLN C C 13 178.034 0.20 . 1 . . . . . . . . 6024 1 353 . 1 1 75 75 ASN N N 15 114.987 0.15 . 1 . . . . . . . . 6024 1 354 . 1 1 75 75 ASN H H 1 8.207 0.02 . 1 . . . . . . . . 6024 1 355 . 1 1 75 75 ASN CA C 13 54.683 0.20 . 1 . . . . . . . . 6024 1 356 . 1 1 75 75 ASN CB C 13 37.585 0.20 . 1 . . . . . . . . 6024 1 357 . 1 1 75 75 ASN C C 13 175.599 0.20 . 1 . . . . . . . . 6024 1 358 . 1 1 76 76 ASP N N 15 116.452 0.15 . 1 . . . . . . . . 6024 1 359 . 1 1 76 76 ASP H H 1 7.882 0.02 . 1 . . . . . . . . 6024 1 360 . 1 1 76 76 ASP CA C 13 55.300 0.20 . 1 . . . . . . . . 6024 1 361 . 1 1 76 76 ASP CB C 13 41.944 0.20 . 1 . . . . . . . . 6024 1 362 . 1 1 76 76 ASP C C 13 175.543 0.20 . 1 . . . . . . . . 6024 1 363 . 1 1 77 77 LEU N N 15 116.510 0.15 . 1 . . . . . . . . 6024 1 364 . 1 1 77 77 LEU H H 1 7.108 0.02 . 1 . . . . . . . . 6024 1 365 . 1 1 77 77 LEU CA C 13 54.921 0.20 . 1 . . . . . . . . 6024 1 366 . 1 1 77 77 LEU CB C 13 40.867 0.20 . 1 . . . . . . . . 6024 1 367 . 1 1 77 77 LEU C C 13 178.022 0.20 . 1 . . . . . . . . 6024 1 368 . 1 1 78 78 VAL N N 15 117.094 0.15 . 1 . . . . . . . . 6024 1 369 . 1 1 78 78 VAL H H 1 7.748 0.02 . 1 . . . . . . . . 6024 1 370 . 1 1 78 78 VAL CA C 13 58.495 0.20 . 1 . . . . . . . . 6024 1 371 . 1 1 78 78 VAL CB C 13 33.587 0.20 . 1 . . . . . . . . 6024 1 372 . 1 1 78 78 VAL C C 13 176.644 0.20 . 1 . . . . . . . . 6024 1 373 . 1 1 79 79 GLU N N 15 123.023 0.15 . 1 . . . . . . . . 6024 1 374 . 1 1 79 79 GLU H H 1 8.549 0.02 . 1 . . . . . . . . 6024 1 375 . 1 1 79 79 GLU CA C 13 57.489 0.20 . 1 . . . . . . . . 6024 1 376 . 1 1 79 79 GLU CB C 13 29.364 0.20 . 1 . . . . . . . . 6024 1 377 . 1 1 79 79 GLU C C 13 174.990 0.20 . 1 . . . . . . . . 6024 1 378 . 1 1 80 80 TYR N N 15 120.993 0.15 . 1 . . . . . . . . 6024 1 379 . 1 1 80 80 TYR H H 1 8.671 0.02 . 1 . . . . . . . . 6024 1 380 . 1 1 80 80 TYR CA C 13 60.057 0.20 . 1 . . . . . . . . 6024 1 381 . 1 1 80 80 TYR CB C 13 35.341 0.20 . 1 . . . . . . . . 6024 1 382 . 1 1 80 80 TYR C C 13 172.114 0.20 . 1 . . . . . . . . 6024 1 383 . 1 1 81 81 SER N N 15 119.647 0.15 . 1 . . . . . . . . 6024 1 384 . 1 1 81 81 SER H H 1 8.344 0.02 . 1 . . . . . . . . 6024 1 385 . 1 1 81 81 SER CA C 13 55.239 0.20 . 1 . . . . . . . . 6024 1 386 . 1 1 81 81 SER CB C 13 64.299 0.20 . 1 . . . . . . . . 6024 1 387 . 1 1 82 82 PRO CA C 13 63.758 0.20 . 1 . . . . . . . . 6024 1 388 . 1 1 82 82 PRO CB C 13 31.109 0.20 . 1 . . . . . . . . 6024 1 389 . 1 1 82 82 PRO C C 13 177.802 0.20 . 1 . . . . . . . . 6024 1 390 . 1 1 83 83 VAL N N 15 118.069 0.15 . 1 . . . . . . . . 6024 1 391 . 1 1 83 83 VAL H H 1 8.651 0.02 . 1 . . . . . . . . 6024 1 392 . 1 1 83 83 VAL CA C 13 64.001 0.20 . 1 . . . . . . . . 6024 1 393 . 1 1 83 83 VAL CB C 13 32.289 0.20 . 1 . . . . . . . . 6024 1 394 . 1 1 83 83 VAL C C 13 179.165 0.20 . 1 . . . . . . . . 6024 1 395 . 1 1 84 84 THR N N 15 113.343 0.15 . 1 . . . . . . . . 6024 1 396 . 1 1 84 84 THR H H 1 9.612 0.02 . 1 . . . . . . . . 6024 1 397 . 1 1 84 84 THR CA C 13 63.535 0.20 . 1 . . . . . . . . 6024 1 398 . 1 1 84 84 THR CB C 13 68.831 0.20 . 1 . . . . . . . . 6024 1 399 . 1 1 84 84 THR C C 13 182.015 0.20 . 1 . . . . . . . . 6024 1 400 . 1 1 85 85 GLU N N 15 119.802 0.15 . 1 . . . . . . . . 6024 1 401 . 1 1 85 85 GLU H H 1 8.196 0.02 . 1 . . . . . . . . 6024 1 402 . 1 1 85 85 GLU CA C 13 58.415 0.20 . 1 . . . . . . . . 6024 1 403 . 1 1 85 85 GLU CB C 13 27.764 0.20 . 1 . . . . . . . . 6024 1 404 . 1 1 85 85 GLU C C 13 176.469 0.20 . 1 . . . . . . . . 6024 1 405 . 1 1 86 86 LYS N N 15 116.052 0.15 . 1 . . . . . . . . 6024 1 406 . 1 1 86 86 LYS H H 1 7.426 0.02 . 1 . . . . . . . . 6024 1 407 . 1 1 86 86 LYS CA C 13 55.583 0.20 . 1 . . . . . . . . 6024 1 408 . 1 1 86 86 LYS CB C 13 31.667 0.20 . 1 . . . . . . . . 6024 1 409 . 1 1 86 86 LYS C C 13 177.304 0.20 . 1 . . . . . . . . 6024 1 410 . 1 1 87 87 HIS N N 15 115.989 0.15 . 1 . . . . . . . . 6024 1 411 . 1 1 87 87 HIS H H 1 7.131 0.02 . 1 . . . . . . . . 6024 1 412 . 1 1 87 87 HIS CA C 13 54.841 0.20 . 1 . . . . . . . . 6024 1 413 . 1 1 87 87 HIS CB C 13 28.098 0.20 . 1 . . . . . . . . 6024 1 414 . 1 1 87 87 HIS C C 13 174.551 0.20 . 1 . . . . . . . . 6024 1 415 . 1 1 88 88 LEU N N 15 120.028 0.15 . 1 . . . . . . . . 6024 1 416 . 1 1 88 88 LEU H H 1 7.835 0.02 . 1 . . . . . . . . 6024 1 417 . 1 1 88 88 LEU CA C 13 57.739 0.20 . 1 . . . . . . . . 6024 1 418 . 1 1 88 88 LEU CB C 13 40.958 0.20 . 1 . . . . . . . . 6024 1 419 . 1 1 88 88 LEU C C 13 179.159 0.20 . 1 . . . . . . . . 6024 1 420 . 1 1 89 89 THR N N 15 109.258 0.15 . 1 . . . . . . . . 6024 1 421 . 1 1 89 89 THR H H 1 8.302 0.02 . 1 . . . . . . . . 6024 1 422 . 1 1 89 89 THR CA C 13 63.974 0.20 . 1 . . . . . . . . 6024 1 423 . 1 1 89 89 THR CB C 13 68.296 0.20 . 1 . . . . . . . . 6024 1 424 . 1 1 89 89 THR C C 13 175.631 0.20 . 1 . . . . . . . . 6024 1 425 . 1 1 90 90 ASP N N 15 116.959 0.15 . 1 . . . . . . . . 6024 1 426 . 1 1 90 90 ASP H H 1 8.813 0.02 . 1 . . . . . . . . 6024 1 427 . 1 1 90 90 ASP CA C 13 53.589 0.20 . 1 . . . . . . . . 6024 1 428 . 1 1 90 90 ASP CB C 13 39.860 0.20 . 1 . . . . . . . . 6024 1 429 . 1 1 90 90 ASP C C 13 177.685 0.20 . 1 . . . . . . . . 6024 1 430 . 1 1 91 91 GLY N N 15 110.607 0.15 . 1 . . . . . . . . 6024 1 431 . 1 1 91 91 GLY H H 1 7.899 0.02 . 1 . . . . . . . . 6024 1 432 . 1 1 91 91 GLY CA C 13 44.626 0.20 . 1 . . . . . . . . 6024 1 433 . 1 1 91 91 GLY C C 13 171.638 0.20 . 1 . . . . . . . . 6024 1 434 . 1 1 92 92 MET N N 15 113.234 0.15 . 1 . . . . . . . . 6024 1 435 . 1 1 92 92 MET H H 1 8.286 0.02 . 1 . . . . . . . . 6024 1 436 . 1 1 92 92 MET CA C 13 54.561 0.20 . 1 . . . . . . . . 6024 1 437 . 1 1 92 92 MET CB C 13 39.428 0.20 . 1 . . . . . . . . 6024 1 438 . 1 1 92 92 MET C C 13 175.187 0.20 . 1 . . . . . . . . 6024 1 439 . 1 1 93 93 THR N N 15 112.085 0.15 . 1 . . . . . . . . 6024 1 440 . 1 1 93 93 THR H H 1 8.927 0.02 . 1 . . . . . . . . 6024 1 441 . 1 1 93 93 THR CA C 13 59.814 0.20 . 1 . . . . . . . . 6024 1 442 . 1 1 93 93 THR CB C 13 70.499 0.20 . 1 . . . . . . . . 6024 1 443 . 1 1 93 93 THR C C 13 175.887 0.20 . 1 . . . . . . . . 6024 1 444 . 1 1 94 94 VAL N N 15 121.761 0.15 . 1 . . . . . . . . 6024 1 445 . 1 1 94 94 VAL H H 1 8.102 0.02 . 1 . . . . . . . . 6024 1 446 . 1 1 94 94 VAL CA C 13 67.595 0.20 . 1 . . . . . . . . 6024 1 447 . 1 1 94 94 VAL CB C 13 30.813 0.20 . 1 . . . . . . . . 6024 1 448 . 1 1 94 94 VAL C C 13 178.038 0.20 . 1 . . . . . . . . 6024 1 449 . 1 1 95 95 ARG N N 15 118.068 0.15 . 1 . . . . . . . . 6024 1 450 . 1 1 95 95 ARG H H 1 9.070 0.02 . 1 . . . . . . . . 6024 1 451 . 1 1 95 95 ARG CA C 13 59.685 0.20 . 1 . . . . . . . . 6024 1 452 . 1 1 95 95 ARG CB C 13 30.338 0.20 . 1 . . . . . . . . 6024 1 453 . 1 1 95 95 ARG C C 13 177.631 0.20 . 1 . . . . . . . . 6024 1 454 . 1 1 96 96 GLU N N 15 118.244 0.15 . 1 . . . . . . . . 6024 1 455 . 1 1 96 96 GLU H H 1 7.631 0.02 . 1 . . . . . . . . 6024 1 456 . 1 1 96 96 GLU CA C 13 57.947 0.20 . 1 . . . . . . . . 6024 1 457 . 1 1 96 96 GLU CB C 13 29.215 0.20 . 1 . . . . . . . . 6024 1 458 . 1 1 96 96 GLU C C 13 180.634 0.20 . 1 . . . . . . . . 6024 1 459 . 1 1 97 97 LEU N N 15 122.552 0.15 . 1 . . . . . . . . 6024 1 460 . 1 1 97 97 LEU H H 1 9.101 0.02 . 1 . . . . . . . . 6024 1 461 . 1 1 97 97 LEU CA C 13 57.558 0.20 . 1 . . . . . . . . 6024 1 462 . 1 1 97 97 LEU CB C 13 40.050 0.20 . 1 . . . . . . . . 6024 1 463 . 1 1 97 97 LEU C C 13 179.152 0.20 . 1 . . . . . . . . 6024 1 464 . 1 1 98 98 CYS N N 15 118.754 0.15 . 1 . . . . . . . . 6024 1 465 . 1 1 98 98 CYS H H 1 8.149 0.02 . 1 . . . . . . . . 6024 1 466 . 1 1 98 98 CYS CA C 13 61.780 0.20 . 1 . . . . . . . . 6024 1 467 . 1 1 98 98 CYS CB C 13 41.813 0.20 . 1 . . . . . . . . 6024 1 468 . 1 1 98 98 CYS C C 13 176.029 0.20 . 1 . . . . . . . . 6024 1 469 . 1 1 99 99 SER N N 15 113.172 0.15 . 1 . . . . . . . . 6024 1 470 . 1 1 99 99 SER H H 1 7.731 0.02 . 1 . . . . . . . . 6024 1 471 . 1 1 99 99 SER CA C 13 60.893 0.20 . 1 . . . . . . . . 6024 1 472 . 1 1 99 99 SER CB C 13 61.424 0.20 . 1 . . . . . . . . 6024 1 473 . 1 1 99 99 SER C C 13 179.040 0.20 . 1 . . . . . . . . 6024 1 474 . 1 1 100 100 ALA N N 15 124.390 0.15 . 1 . . . . . . . . 6024 1 475 . 1 1 100 100 ALA H H 1 8.514 0.02 . 1 . . . . . . . . 6024 1 476 . 1 1 100 100 ALA CA C 13 55.079 0.20 . 1 . . . . . . . . 6024 1 477 . 1 1 100 100 ALA CB C 13 16.698 0.20 . 1 . . . . . . . . 6024 1 478 . 1 1 100 100 ALA C C 13 180.309 0.20 . 1 . . . . . . . . 6024 1 479 . 1 1 101 101 ALA N N 15 120.680 0.15 . 1 . . . . . . . . 6024 1 480 . 1 1 101 101 ALA H H 1 8.670 0.02 . 1 . . . . . . . . 6024 1 481 . 1 1 101 101 ALA CA C 13 54.622 0.20 . 1 . . . . . . . . 6024 1 482 . 1 1 101 101 ALA CB C 13 16.654 0.20 . 1 . . . . . . . . 6024 1 483 . 1 1 101 101 ALA C C 13 178.492 0.20 . 1 . . . . . . . . 6024 1 484 . 1 1 102 102 ILE N N 15 113.488 0.15 . 1 . . . . . . . . 6024 1 485 . 1 1 102 102 ILE H H 1 8.218 0.02 . 1 . . . . . . . . 6024 1 486 . 1 1 102 102 ILE CA C 13 64.430 0.20 . 1 . . . . . . . . 6024 1 487 . 1 1 102 102 ILE CB C 13 36.983 0.20 . 1 . . . . . . . . 6024 1 488 . 1 1 102 102 ILE C C 13 176.465 0.20 . 1 . . . . . . . . 6024 1 489 . 1 1 103 103 THR N N 15 109.283 0.15 . 1 . . . . . . . . 6024 1 490 . 1 1 103 103 THR H H 1 8.944 0.02 . 1 . . . . . . . . 6024 1 491 . 1 1 103 103 THR CA C 13 64.775 0.20 . 1 . . . . . . . . 6024 1 492 . 1 1 103 103 THR CB C 13 69.917 0.20 . 1 . . . . . . . . 6024 1 493 . 1 1 103 103 THR C C 13 175.947 0.20 . 1 . . . . . . . . 6024 1 494 . 1 1 104 104 MET N N 15 113.954 0.15 . 1 . . . . . . . . 6024 1 495 . 1 1 104 104 MET H H 1 6.728 0.02 . 1 . . . . . . . . 6024 1 496 . 1 1 104 104 MET CA C 13 52.647 0.20 . 1 . . . . . . . . 6024 1 497 . 1 1 104 104 MET CB C 13 32.544 0.20 . 1 . . . . . . . . 6024 1 498 . 1 1 104 104 MET C C 13 176.245 0.20 . 1 . . . . . . . . 6024 1 499 . 1 1 105 105 SER N N 15 115.078 0.15 . 1 . . . . . . . . 6024 1 500 . 1 1 105 105 SER H H 1 7.134 0.02 . 1 . . . . . . . . 6024 1 501 . 1 1 105 105 SER CA C 13 58.667 0.20 . 1 . . . . . . . . 6024 1 502 . 1 1 105 105 SER CB C 13 63.141 0.20 . 1 . . . . . . . . 6024 1 503 . 1 1 105 105 SER C C 13 174.243 0.20 . 1 . . . . . . . . 6024 1 504 . 1 1 106 106 ASP N N 15 120.379 0.15 . 1 . . . . . . . . 6024 1 505 . 1 1 106 106 ASP H H 1 7.378 0.02 . 1 . . . . . . . . 6024 1 506 . 1 1 106 106 ASP CA C 13 55.726 0.20 . 1 . . . . . . . . 6024 1 507 . 1 1 106 106 ASP CB C 13 43.603 0.20 . 1 . . . . . . . . 6024 1 508 . 1 1 106 106 ASP C C 13 176.596 0.20 . 1 . . . . . . . . 6024 1 509 . 1 1 107 107 ASN N N 15 126.984 0.15 . 1 . . . . . . . . 6024 1 510 . 1 1 107 107 ASN H H 1 8.818 0.02 . 1 . . . . . . . . 6024 1 511 . 1 1 107 107 ASN CA C 13 55.850 0.20 . 1 . . . . . . . . 6024 1 512 . 1 1 107 107 ASN CB C 13 38.326 0.20 . 1 . . . . . . . . 6024 1 513 . 1 1 107 107 ASN C C 13 178.081 0.20 . 1 . . . . . . . . 6024 1 514 . 1 1 108 108 THR N N 15 119.989 0.15 . 1 . . . . . . . . 6024 1 515 . 1 1 108 108 THR H H 1 7.659 0.02 . 1 . . . . . . . . 6024 1 516 . 1 1 108 108 THR CA C 13 67.541 0.20 . 1 . . . . . . . . 6024 1 517 . 1 1 108 108 THR CB C 13 66.581 0.20 . 1 . . . . . . . . 6024 1 518 . 1 1 108 108 THR C C 13 176.632 0.20 . 1 . . . . . . . . 6024 1 519 . 1 1 109 109 ALA N N 15 122.390 0.15 . 1 . . . . . . . . 6024 1 520 . 1 1 109 109 ALA H H 1 8.952 0.02 . 1 . . . . . . . . 6024 1 521 . 1 1 109 109 ALA CA C 13 54.717 0.20 . 1 . . . . . . . . 6024 1 522 . 1 1 109 109 ALA CB C 13 17.834 0.20 . 1 . . . . . . . . 6024 1 523 . 1 1 109 109 ALA C C 13 178.463 0.20 . 1 . . . . . . . . 6024 1 524 . 1 1 110 110 ALA N N 15 114.944 0.15 . 1 . . . . . . . . 6024 1 525 . 1 1 110 110 ALA H H 1 7.087 0.02 . 1 . . . . . . . . 6024 1 526 . 1 1 110 110 ALA CA C 13 54.129 0.20 . 1 . . . . . . . . 6024 1 527 . 1 1 110 110 ALA CB C 13 18.571 0.20 . 1 . . . . . . . . 6024 1 528 . 1 1 110 110 ALA C C 13 178.206 0.20 . 1 . . . . . . . . 6024 1 529 . 1 1 111 111 ASN N N 15 119.441 0.15 . 1 . . . . . . . . 6024 1 530 . 1 1 111 111 ASN H H 1 7.930 0.02 . 1 . . . . . . . . 6024 1 531 . 1 1 111 111 ASN CA C 13 55.746 0.20 . 1 . . . . . . . . 6024 1 532 . 1 1 111 111 ASN CB C 13 36.606 0.20 . 1 . . . . . . . . 6024 1 533 . 1 1 111 111 ASN C C 13 178.765 0.20 . 1 . . . . . . . . 6024 1 534 . 1 1 112 112 LEU N N 15 121.248 0.15 . 1 . . . . . . . . 6024 1 535 . 1 1 112 112 LEU H H 1 9.067 0.02 . 1 . . . . . . . . 6024 1 536 . 1 1 112 112 LEU CA C 13 57.711 0.20 . 1 . . . . . . . . 6024 1 537 . 1 1 112 112 LEU CB C 13 40.987 0.20 . 1 . . . . . . . . 6024 1 538 . 1 1 112 112 LEU C C 13 181.217 0.20 . 1 . . . . . . . . 6024 1 539 . 1 1 113 113 LEU N N 15 119.093 0.15 . 1 . . . . . . . . 6024 1 540 . 1 1 113 113 LEU H H 1 8.116 0.02 . 1 . . . . . . . . 6024 1 541 . 1 1 113 113 LEU CA C 13 56.976 0.20 . 1 . . . . . . . . 6024 1 542 . 1 1 113 113 LEU CB C 13 41.679 0.20 . 1 . . . . . . . . 6024 1 543 . 1 1 113 113 LEU C C 13 180.793 0.20 . 1 . . . . . . . . 6024 1 544 . 1 1 114 114 LEU N N 15 123.841 0.15 . 1 . . . . . . . . 6024 1 545 . 1 1 114 114 LEU H H 1 9.165 0.02 . 1 . . . . . . . . 6024 1 546 . 1 1 114 114 LEU CA C 13 57.427 0.20 . 1 . . . . . . . . 6024 1 547 . 1 1 114 114 LEU CB C 13 42.626 0.20 . 1 . . . . . . . . 6024 1 548 . 1 1 114 114 LEU C C 13 180.143 0.20 . 1 . . . . . . . . 6024 1 549 . 1 1 115 115 THR N N 15 117.787 0.15 . 1 . . . . . . . . 6024 1 550 . 1 1 115 115 THR H H 1 8.697 0.02 . 1 . . . . . . . . 6024 1 551 . 1 1 115 115 THR CA C 13 67.344 0.20 . 1 . . . . . . . . 6024 1 552 . 1 1 115 115 THR CB C 13 68.177 0.20 . 1 . . . . . . . . 6024 1 553 . 1 1 115 115 THR C C 13 177.804 0.20 . 1 . . . . . . . . 6024 1 554 . 1 1 116 116 THR N N 15 112.572 0.15 . 1 . . . . . . . . 6024 1 555 . 1 1 116 116 THR H H 1 7.621 0.02 . 1 . . . . . . . . 6024 1 556 . 1 1 116 116 THR CA C 13 64.930 0.20 . 1 . . . . . . . . 6024 1 557 . 1 1 116 116 THR CB C 13 68.304 0.20 . 1 . . . . . . . . 6024 1 558 . 1 1 116 116 THR C C 13 175.738 0.20 . 1 . . . . . . . . 6024 1 559 . 1 1 117 117 ILE N N 15 110.828 0.15 . 1 . . . . . . . . 6024 1 560 . 1 1 117 117 ILE H H 1 6.883 0.02 . 1 . . . . . . . . 6024 1 561 . 1 1 117 117 ILE CA C 13 60.627 0.20 . 1 . . . . . . . . 6024 1 562 . 1 1 117 117 ILE CB C 13 37.915 0.20 . 1 . . . . . . . . 6024 1 563 . 1 1 117 117 ILE C C 13 175.462 0.20 . 1 . . . . . . . . 6024 1 564 . 1 1 118 118 GLY N N 15 106.231 0.15 . 1 . . . . . . . . 6024 1 565 . 1 1 118 118 GLY H H 1 7.471 0.02 . 1 . . . . . . . . 6024 1 566 . 1 1 118 118 GLY CA C 13 44.588 0.20 . 1 . . . . . . . . 6024 1 567 . 1 1 118 118 GLY C C 13 175.144 0.20 . 1 . . . . . . . . 6024 1 568 . 1 1 119 119 GLY N N 15 108.064 0.15 . 1 . . . . . . . . 6024 1 569 . 1 1 119 119 GLY H H 1 8.191 0.02 . 1 . . . . . . . . 6024 1 570 . 1 1 119 119 GLY CA C 13 44.717 0.20 . 1 . . . . . . . . 6024 1 571 . 1 1 119 119 GLY C C 13 171.641 0.20 . 1 . . . . . . . . 6024 1 572 . 1 1 120 120 PRO CA C 13 65.882 0.20 . 1 . . . . . . . . 6024 1 573 . 1 1 120 120 PRO CB C 13 31.478 0.20 . 1 . . . . . . . . 6024 1 574 . 1 1 120 120 PRO C C 13 177.912 0.20 . 1 . . . . . . . . 6024 1 575 . 1 1 121 121 LYS N N 15 115.882 0.15 . 1 . . . . . . . . 6024 1 576 . 1 1 121 121 LYS H H 1 8.640 0.02 . 1 . . . . . . . . 6024 1 577 . 1 1 121 121 LYS CA C 13 58.994 0.20 . 1 . . . . . . . . 6024 1 578 . 1 1 121 121 LYS CB C 13 30.965 0.20 . 1 . . . . . . . . 6024 1 579 . 1 1 121 121 LYS C C 13 179.867 0.20 . 1 . . . . . . . . 6024 1 580 . 1 1 122 122 GLU N N 15 118.353 0.15 . 1 . . . . . . . . 6024 1 581 . 1 1 122 122 GLU H H 1 7.321 0.02 . 1 . . . . . . . . 6024 1 582 . 1 1 122 122 GLU CA C 13 56.676 0.20 . 1 . . . . . . . . 6024 1 583 . 1 1 122 122 GLU CB C 13 28.573 0.20 . 1 . . . . . . . . 6024 1 584 . 1 1 122 122 GLU C C 13 180.387 0.20 . 1 . . . . . . . . 6024 1 585 . 1 1 123 123 LEU N N 15 123.168 0.15 . 1 . . . . . . . . 6024 1 586 . 1 1 123 123 LEU H H 1 7.649 0.02 . 1 . . . . . . . . 6024 1 587 . 1 1 123 123 LEU CA C 13 57.012 0.20 . 1 . . . . . . . . 6024 1 588 . 1 1 123 123 LEU CB C 13 39.293 0.20 . 1 . . . . . . . . 6024 1 589 . 1 1 123 123 LEU C C 13 178.174 0.20 . 1 . . . . . . . . 6024 1 590 . 1 1 124 124 THR N N 15 116.845 0.15 . 1 . . . . . . . . 6024 1 591 . 1 1 124 124 THR H H 1 8.163 0.02 . 1 . . . . . . . . 6024 1 592 . 1 1 124 124 THR CA C 13 67.382 0.20 . 1 . . . . . . . . 6024 1 593 . 1 1 124 124 THR CB C 13 68.073 0.20 . 1 . . . . . . . . 6024 1 594 . 1 1 124 124 THR C C 13 175.108 0.20 . 1 . . . . . . . . 6024 1 595 . 1 1 125 125 ALA N N 15 122.908 0.15 . 1 . . . . . . . . 6024 1 596 . 1 1 125 125 ALA H H 1 7.892 0.02 . 1 . . . . . . . . 6024 1 597 . 1 1 125 125 ALA CA C 13 55.270 0.20 . 1 . . . . . . . . 6024 1 598 . 1 1 125 125 ALA CB C 13 17.188 0.20 . 1 . . . . . . . . 6024 1 599 . 1 1 125 125 ALA C C 13 179.557 0.20 . 1 . . . . . . . . 6024 1 600 . 1 1 126 126 PHE N N 15 120.348 0.15 . 1 . . . . . . . . 6024 1 601 . 1 1 126 126 PHE H H 1 7.788 0.02 . 1 . . . . . . . . 6024 1 602 . 1 1 126 126 PHE CA C 13 60.645 0.20 . 1 . . . . . . . . 6024 1 603 . 1 1 126 126 PHE CB C 13 37.462 0.20 . 1 . . . . . . . . 6024 1 604 . 1 1 126 126 PHE C C 13 177.763 0.20 . 1 . . . . . . . . 6024 1 605 . 1 1 127 127 LEU N N 15 121.328 0.15 . 1 . . . . . . . . 6024 1 606 . 1 1 127 127 LEU H H 1 8.041 0.02 . 1 . . . . . . . . 6024 1 607 . 1 1 127 127 LEU CA C 13 57.233 0.20 . 1 . . . . . . . . 6024 1 608 . 1 1 127 127 LEU CB C 13 38.903 0.20 . 1 . . . . . . . . 6024 1 609 . 1 1 127 127 LEU C C 13 179.137 0.20 . 1 . . . . . . . . 6024 1 610 . 1 1 128 128 HIS N N 15 120.497 0.15 . 1 . . . . . . . . 6024 1 611 . 1 1 128 128 HIS H H 1 8.895 0.02 . 1 . . . . . . . . 6024 1 612 . 1 1 128 128 HIS CA C 13 58.748 0.20 . 1 . . . . . . . . 6024 1 613 . 1 1 128 128 HIS CB C 13 28.337 0.20 . 1 . . . . . . . . 6024 1 614 . 1 1 128 128 HIS C C 13 179.827 0.20 . 1 . . . . . . . . 6024 1 615 . 1 1 129 129 ASN N N 15 118.051 0.15 . 1 . . . . . . . . 6024 1 616 . 1 1 129 129 ASN H H 1 8.372 0.02 . 1 . . . . . . . . 6024 1 617 . 1 1 129 129 ASN CA C 13 55.249 0.20 . 1 . . . . . . . . 6024 1 618 . 1 1 129 129 ASN CB C 13 37.619 0.20 . 1 . . . . . . . . 6024 1 619 . 1 1 129 129 ASN C C 13 176.468 0.20 . 1 . . . . . . . . 6024 1 620 . 1 1 130 130 MET N N 15 115.384 0.15 . 1 . . . . . . . . 6024 1 621 . 1 1 130 130 MET H H 1 7.487 0.02 . 1 . . . . . . . . 6024 1 622 . 1 1 130 130 MET CA C 13 54.953 0.20 . 1 . . . . . . . . 6024 1 623 . 1 1 130 130 MET CB C 13 31.232 0.20 . 1 . . . . . . . . 6024 1 624 . 1 1 130 130 MET C C 13 175.833 0.20 . 1 . . . . . . . . 6024 1 625 . 1 1 131 131 GLY N N 15 107.527 0.15 . 1 . . . . . . . . 6024 1 626 . 1 1 131 131 GLY H H 1 7.712 0.02 . 1 . . . . . . . . 6024 1 627 . 1 1 131 131 GLY CA C 13 44.794 0.20 . 1 . . . . . . . . 6024 1 628 . 1 1 131 131 GLY C C 13 172.695 0.20 . 1 . . . . . . . . 6024 1 629 . 1 1 132 132 ASP N N 15 121.590 0.15 . 1 . . . . . . . . 6024 1 630 . 1 1 132 132 ASP H H 1 8.004 0.02 . 1 . . . . . . . . 6024 1 631 . 1 1 132 132 ASP CA C 13 51.949 0.20 . 1 . . . . . . . . 6024 1 632 . 1 1 132 132 ASP CB C 13 39.191 0.20 . 1 . . . . . . . . 6024 1 633 . 1 1 132 132 ASP C C 13 174.742 0.20 . 1 . . . . . . . . 6024 1 634 . 1 1 133 133 HIS N N 15 121.014 0.15 . 1 . . . . . . . . 6024 1 635 . 1 1 133 133 HIS H H 1 8.323 0.02 . 1 . . . . . . . . 6024 1 636 . 1 1 133 133 HIS CA C 13 54.082 0.20 . 1 . . . . . . . . 6024 1 637 . 1 1 133 133 HIS CB C 13 28.825 0.20 . 1 . . . . . . . . 6024 1 638 . 1 1 133 133 HIS C C 13 174.990 0.20 . 1 . . . . . . . . 6024 1 639 . 1 1 134 134 VAL N N 15 121.226 0.15 . 1 . . . . . . . . 6024 1 640 . 1 1 134 134 VAL H H 1 8.804 0.02 . 1 . . . . . . . . 6024 1 641 . 1 1 134 134 VAL CA C 13 63.347 0.20 . 1 . . . . . . . . 6024 1 642 . 1 1 134 134 VAL CB C 13 33.844 0.20 . 1 . . . . . . . . 6024 1 643 . 1 1 134 134 VAL C C 13 176.087 0.20 . 1 . . . . . . . . 6024 1 644 . 1 1 135 135 THR N N 15 125.438 0.15 . 1 . . . . . . . . 6024 1 645 . 1 1 135 135 THR H H 1 9.375 0.02 . 1 . . . . . . . . 6024 1 646 . 1 1 135 135 THR CA C 13 64.348 0.20 . 1 . . . . . . . . 6024 1 647 . 1 1 135 135 THR CB C 13 66.420 0.20 . 1 . . . . . . . . 6024 1 648 . 1 1 135 135 THR C C 13 172.814 0.20 . 1 . . . . . . . . 6024 1 649 . 1 1 136 136 ARG N N 15 119.613 0.15 . 1 . . . . . . . . 6024 1 650 . 1 1 136 136 ARG H H 1 8.445 0.02 . 1 . . . . . . . . 6024 1 651 . 1 1 136 136 ARG CA C 13 53.666 0.20 . 1 . . . . . . . . 6024 1 652 . 1 1 136 136 ARG CB C 13 31.628 0.20 . 1 . . . . . . . . 6024 1 653 . 1 1 136 136 ARG C C 13 171.675 0.20 . 1 . . . . . . . . 6024 1 654 . 1 1 137 137 LEU N N 15 120.925 0.15 . 1 . . . . . . . . 6024 1 655 . 1 1 137 137 LEU H H 1 7.730 0.02 . 1 . . . . . . . . 6024 1 656 . 1 1 137 137 LEU CA C 13 52.779 0.20 . 1 . . . . . . . . 6024 1 657 . 1 1 137 137 LEU CB C 13 44.878 0.20 . 1 . . . . . . . . 6024 1 658 . 1 1 137 137 LEU C C 13 174.264 0.20 . 1 . . . . . . . . 6024 1 659 . 1 1 138 138 ASP N N 15 126.496 0.15 . 1 . . . . . . . . 6024 1 660 . 1 1 138 138 ASP H H 1 9.999 0.02 . 1 . . . . . . . . 6024 1 661 . 1 1 138 138 ASP CA C 13 55.027 0.20 . 1 . . . . . . . . 6024 1 662 . 1 1 138 138 ASP CB C 13 37.452 0.20 . 1 . . . . . . . . 6024 1 663 . 1 1 138 138 ASP C C 13 175.646 0.20 . 1 . . . . . . . . 6024 1 664 . 1 1 139 139 ARG N N 15 124.970 0.15 . 1 . . . . . . . . 6024 1 665 . 1 1 139 139 ARG H H 1 9.235 0.02 . 1 . . . . . . . . 6024 1 666 . 1 1 139 139 ARG CA C 13 54.871 0.20 . 1 . . . . . . . . 6024 1 667 . 1 1 139 139 ARG CB C 13 33.604 0.20 . 1 . . . . . . . . 6024 1 668 . 1 1 139 139 ARG C C 13 170.618 0.20 . 1 . . . . . . . . 6024 1 669 . 1 1 140 140 TRP N N 15 114.225 0.15 . 1 . . . . . . . . 6024 1 670 . 1 1 140 140 TRP H H 1 7.688 0.02 . 1 . . . . . . . . 6024 1 671 . 1 1 140 140 TRP CA C 13 54.661 0.20 . 1 . . . . . . . . 6024 1 672 . 1 1 140 140 TRP CB C 13 28.550 0.20 . 1 . . . . . . . . 6024 1 673 . 1 1 140 140 TRP C C 13 177.956 0.20 . 1 . . . . . . . . 6024 1 674 . 1 1 141 141 GLU N N 15 117.321 0.15 . 1 . . . . . . . . 6024 1 675 . 1 1 141 141 GLU H H 1 9.503 0.02 . 1 . . . . . . . . 6024 1 676 . 1 1 141 141 GLU CA C 13 54.543 0.20 . 1 . . . . . . . . 6024 1 677 . 1 1 141 141 GLU CB C 13 27.475 0.20 . 1 . . . . . . . . 6024 1 678 . 1 1 141 141 GLU C C 13 178.421 0.20 . 1 . . . . . . . . 6024 1 679 . 1 1 142 142 PRO CA C 13 63.470 0.20 . 1 . . . . . . . . 6024 1 680 . 1 1 142 142 PRO CB C 13 33.331 0.20 . 1 . . . . . . . . 6024 1 681 . 1 1 142 142 PRO C C 13 177.838 0.20 . 1 . . . . . . . . 6024 1 682 . 1 1 143 143 GLU N N 15 127.935 0.15 . 1 . . . . . . . . 6024 1 683 . 1 1 143 143 GLU H H 1 8.632 0.02 . 1 . . . . . . . . 6024 1 684 . 1 1 143 143 GLU CA C 13 60.302 0.20 . 1 . . . . . . . . 6024 1 685 . 1 1 143 143 GLU CB C 13 28.673 0.20 . 1 . . . . . . . . 6024 1 686 . 1 1 143 143 GLU C C 13 176.700 0.20 . 1 . . . . . . . . 6024 1 687 . 1 1 144 144 LEU N N 15 112.802 0.15 . 1 . . . . . . . . 6024 1 688 . 1 1 144 144 LEU H H 1 7.659 0.02 . 1 . . . . . . . . 6024 1 689 . 1 1 144 144 LEU CA C 13 56.796 0.20 . 1 . . . . . . . . 6024 1 690 . 1 1 144 144 LEU CB C 13 39.688 0.20 . 1 . . . . . . . . 6024 1 691 . 1 1 144 144 LEU C C 13 176.868 0.20 . 1 . . . . . . . . 6024 1 692 . 1 1 145 145 ASN N N 15 119.595 0.15 . 1 . . . . . . . . 6024 1 693 . 1 1 145 145 ASN H H 1 7.553 0.02 . 1 . . . . . . . . 6024 1 694 . 1 1 145 145 ASN CA C 13 53.519 0.20 . 1 . . . . . . . . 6024 1 695 . 1 1 145 145 ASN CB C 13 40.071 0.20 . 1 . . . . . . . . 6024 1 696 . 1 1 145 145 ASN C C 13 174.785 0.20 . 1 . . . . . . . . 6024 1 697 . 1 1 146 146 GLU N N 15 120.512 0.15 . 1 . . . . . . . . 6024 1 698 . 1 1 146 146 GLU H H 1 7.446 0.02 . 1 . . . . . . . . 6024 1 699 . 1 1 146 146 GLU CA C 13 60.225 0.20 . 1 . . . . . . . . 6024 1 700 . 1 1 146 146 GLU CB C 13 30.004 0.20 . 1 . . . . . . . . 6024 1 701 . 1 1 146 146 GLU C C 13 175.771 0.20 . 1 . . . . . . . . 6024 1 702 . 1 1 147 147 ALA N N 15 118.082 0.15 . 1 . . . . . . . . 6024 1 703 . 1 1 147 147 ALA H H 1 9.476 0.02 . 1 . . . . . . . . 6024 1 704 . 1 1 147 147 ALA CA C 13 51.534 0.20 . 1 . . . . . . . . 6024 1 705 . 1 1 147 147 ALA CB C 13 17.303 0.20 . 1 . . . . . . . . 6024 1 706 . 1 1 147 147 ALA C C 13 176.530 0.20 . 1 . . . . . . . . 6024 1 707 . 1 1 148 148 ILE N N 15 120.634 0.15 . 1 . . . . . . . . 6024 1 708 . 1 1 148 148 ILE H H 1 8.635 0.02 . 1 . . . . . . . . 6024 1 709 . 1 1 148 148 ILE CA C 13 59.712 0.20 . 1 . . . . . . . . 6024 1 710 . 1 1 148 148 ILE CB C 13 36.299 0.20 . 1 . . . . . . . . 6024 1 711 . 1 1 149 149 PRO CA C 13 63.822 0.20 . 1 . . . . . . . . 6024 1 712 . 1 1 149 149 PRO CB C 13 30.704 0.20 . 1 . . . . . . . . 6024 1 713 . 1 1 149 149 PRO C C 13 177.569 0.20 . 1 . . . . . . . . 6024 1 714 . 1 1 150 150 ASN N N 15 115.695 0.15 . 1 . . . . . . . . 6024 1 715 . 1 1 150 150 ASN H H 1 8.874 0.02 . 1 . . . . . . . . 6024 1 716 . 1 1 150 150 ASN CA C 13 54.874 0.20 . 1 . . . . . . . . 6024 1 717 . 1 1 150 150 ASN CB C 13 36.934 0.20 . 1 . . . . . . . . 6024 1 718 . 1 1 150 150 ASN C C 13 173.259 0.20 . 1 . . . . . . . . 6024 1 719 . 1 1 151 151 ASP N N 15 120.712 0.15 . 1 . . . . . . . . 6024 1 720 . 1 1 151 151 ASP H H 1 7.601 0.02 . 1 . . . . . . . . 6024 1 721 . 1 1 151 151 ASP CA C 13 52.928 0.20 . 1 . . . . . . . . 6024 1 722 . 1 1 151 151 ASP CB C 13 41.402 0.20 . 1 . . . . . . . . 6024 1 723 . 1 1 151 151 ASP C C 13 177.282 0.20 . 1 . . . . . . . . 6024 1 724 . 1 1 152 152 GLU N N 15 126.140 0.15 . 1 . . . . . . . . 6024 1 725 . 1 1 152 152 GLU H H 1 8.960 0.02 . 1 . . . . . . . . 6024 1 726 . 1 1 152 152 GLU CA C 13 56.374 0.20 . 1 . . . . . . . . 6024 1 727 . 1 1 152 152 GLU CB C 13 29.064 0.20 . 1 . . . . . . . . 6024 1 728 . 1 1 152 152 GLU C C 13 177.679 0.20 . 1 . . . . . . . . 6024 1 729 . 1 1 153 153 ARG N N 15 122.041 0.15 . 1 . . . . . . . . 6024 1 730 . 1 1 153 153 ARG H H 1 8.092 0.02 . 1 . . . . . . . . 6024 1 731 . 1 1 153 153 ARG CA C 13 56.831 0.20 . 1 . . . . . . . . 6024 1 732 . 1 1 153 153 ARG CB C 13 29.813 0.20 . 1 . . . . . . . . 6024 1 733 . 1 1 153 153 ARG C C 13 177.196 0.20 . 1 . . . . . . . . 6024 1 734 . 1 1 154 154 ASP N N 15 115.442 0.15 . 1 . . . . . . . . 6024 1 735 . 1 1 154 154 ASP H H 1 8.783 0.02 . 1 . . . . . . . . 6024 1 736 . 1 1 154 154 ASP CA C 13 55.455 0.20 . 1 . . . . . . . . 6024 1 737 . 1 1 154 154 ASP CB C 13 41.768 0.20 . 1 . . . . . . . . 6024 1 738 . 1 1 154 154 ASP C C 13 177.934 0.20 . 1 . . . . . . . . 6024 1 739 . 1 1 155 155 THR N N 15 104.816 0.15 . 1 . . . . . . . . 6024 1 740 . 1 1 155 155 THR H H 1 7.276 0.02 . 1 . . . . . . . . 6024 1 741 . 1 1 155 155 THR CA C 13 59.361 0.20 . 1 . . . . . . . . 6024 1 742 . 1 1 155 155 THR CB C 13 74.513 0.20 . 1 . . . . . . . . 6024 1 743 . 1 1 155 155 THR C C 13 173.090 0.20 . 1 . . . . . . . . 6024 1 744 . 1 1 156 156 THR N N 15 111.541 0.15 . 1 . . . . . . . . 6024 1 745 . 1 1 156 156 THR H H 1 8.217 0.02 . 1 . . . . . . . . 6024 1 746 . 1 1 156 156 THR CA C 13 59.276 0.20 . 1 . . . . . . . . 6024 1 747 . 1 1 156 156 THR CB C 13 68.368 0.20 . 1 . . . . . . . . 6024 1 748 . 1 1 156 156 THR C C 13 173.590 0.20 . 1 . . . . . . . . 6024 1 749 . 1 1 157 157 MET N N 15 117.637 0.15 . 1 . . . . . . . . 6024 1 750 . 1 1 157 157 MET H H 1 8.510 0.02 . 1 . . . . . . . . 6024 1 751 . 1 1 157 157 MET CA C 13 52.748 0.20 . 1 . . . . . . . . 6024 1 752 . 1 1 157 157 MET CB C 13 33.917 0.20 . 1 . . . . . . . . 6024 1 753 . 1 1 157 157 MET C C 13 175.088 0.20 . 1 . . . . . . . . 6024 1 754 . 1 1 158 158 PRO CA C 13 66.953 0.20 . 1 . . . . . . . . 6024 1 755 . 1 1 158 158 PRO CB C 13 31.637 0.20 . 1 . . . . . . . . 6024 1 756 . 1 1 158 158 PRO C C 13 176.905 0.20 . 1 . . . . . . . . 6024 1 757 . 1 1 159 159 ALA N N 15 114.408 0.15 . 1 . . . . . . . . 6024 1 758 . 1 1 159 159 ALA H H 1 8.654 0.02 . 1 . . . . . . . . 6024 1 759 . 1 1 159 159 ALA CA C 13 55.673 0.20 . 1 . . . . . . . . 6024 1 760 . 1 1 159 159 ALA CB C 13 17.711 0.20 . 1 . . . . . . . . 6024 1 761 . 1 1 159 159 ALA C C 13 179.097 0.20 . 1 . . . . . . . . 6024 1 762 . 1 1 160 160 ALA N N 15 120.828 0.15 . 1 . . . . . . . . 6024 1 763 . 1 1 160 160 ALA H H 1 6.855 0.02 . 1 . . . . . . . . 6024 1 764 . 1 1 160 160 ALA CA C 13 54.262 0.20 . 1 . . . . . . . . 6024 1 765 . 1 1 160 160 ALA CB C 13 18.129 0.20 . 1 . . . . . . . . 6024 1 766 . 1 1 160 160 ALA C C 13 178.017 0.20 . 1 . . . . . . . . 6024 1 767 . 1 1 161 161 MET N N 15 115.938 0.15 . 1 . . . . . . . . 6024 1 768 . 1 1 161 161 MET H H 1 8.313 0.02 . 1 . . . . . . . . 6024 1 769 . 1 1 161 161 MET CA C 13 56.831 0.20 . 1 . . . . . . . . 6024 1 770 . 1 1 161 161 MET CB C 13 30.401 0.20 . 1 . . . . . . . . 6024 1 771 . 1 1 161 161 MET C C 13 177.918 0.20 . 1 . . . . . . . . 6024 1 772 . 1 1 162 162 ALA N N 15 117.523 0.15 . 1 . . . . . . . . 6024 1 773 . 1 1 162 162 ALA H H 1 8.272 0.02 . 1 . . . . . . . . 6024 1 774 . 1 1 162 162 ALA CA C 13 55.232 0.20 . 1 . . . . . . . . 6024 1 775 . 1 1 162 162 ALA CB C 13 18.515 0.20 . 1 . . . . . . . . 6024 1 776 . 1 1 162 162 ALA C C 13 178.493 0.20 . 1 . . . . . . . . 6024 1 777 . 1 1 163 163 THR N N 15 112.150 0.15 . 1 . . . . . . . . 6024 1 778 . 1 1 163 163 THR H H 1 7.684 0.02 . 1 . . . . . . . . 6024 1 779 . 1 1 163 163 THR CA C 13 66.038 0.20 . 1 . . . . . . . . 6024 1 780 . 1 1 163 163 THR CB C 13 68.317 0.20 . 1 . . . . . . . . 6024 1 781 . 1 1 163 163 THR C C 13 177.395 0.20 . 1 . . . . . . . . 6024 1 782 . 1 1 164 164 THR N N 15 124.357 0.15 . 1 . . . . . . . . 6024 1 783 . 1 1 164 164 THR H H 1 9.028 0.02 . 1 . . . . . . . . 6024 1 784 . 1 1 164 164 THR CA C 13 66.497 0.20 . 1 . . . . . . . . 6024 1 785 . 1 1 164 164 THR CB C 13 67.356 0.20 . 1 . . . . . . . . 6024 1 786 . 1 1 164 164 THR C C 13 175.773 0.20 . 1 . . . . . . . . 6024 1 787 . 1 1 165 165 LEU N N 15 121.116 0.15 . 1 . . . . . . . . 6024 1 788 . 1 1 165 165 LEU H H 1 8.834 0.02 . 1 . . . . . . . . 6024 1 789 . 1 1 165 165 LEU CA C 13 57.597 0.20 . 1 . . . . . . . . 6024 1 790 . 1 1 165 165 LEU CB C 13 40.563 0.20 . 1 . . . . . . . . 6024 1 791 . 1 1 165 165 LEU C C 13 178.272 0.20 . 1 . . . . . . . . 6024 1 792 . 1 1 166 166 ARG N N 15 118.063 0.15 . 1 . . . . . . . . 6024 1 793 . 1 1 166 166 ARG H H 1 8.119 0.02 . 1 . . . . . . . . 6024 1 794 . 1 1 166 166 ARG CA C 13 60.351 0.20 . 1 . . . . . . . . 6024 1 795 . 1 1 166 166 ARG CB C 13 28.101 0.20 . 1 . . . . . . . . 6024 1 796 . 1 1 166 166 ARG C C 13 178.781 0.20 . 1 . . . . . . . . 6024 1 797 . 1 1 167 167 LYS N N 15 120.702 0.15 . 1 . . . . . . . . 6024 1 798 . 1 1 167 167 LYS H H 1 8.089 0.02 . 1 . . . . . . . . 6024 1 799 . 1 1 167 167 LYS CA C 13 59.626 0.20 . 1 . . . . . . . . 6024 1 800 . 1 1 167 167 LYS CB C 13 31.850 0.20 . 1 . . . . . . . . 6024 1 801 . 1 1 167 167 LYS C C 13 178.693 0.20 . 1 . . . . . . . . 6024 1 802 . 1 1 168 168 LEU N N 15 117.194 0.15 . 1 . . . . . . . . 6024 1 803 . 1 1 168 168 LEU H H 1 8.035 0.02 . 1 . . . . . . . . 6024 1 804 . 1 1 168 168 LEU CA C 13 57.431 0.20 . 1 . . . . . . . . 6024 1 805 . 1 1 168 168 LEU CB C 13 41.800 0.20 . 1 . . . . . . . . 6024 1 806 . 1 1 168 168 LEU C C 13 177.474 0.20 . 1 . . . . . . . . 6024 1 807 . 1 1 169 169 LEU N N 15 111.222 0.15 . 1 . . . . . . . . 6024 1 808 . 1 1 169 169 LEU H H 1 8.030 0.02 . 1 . . . . . . . . 6024 1 809 . 1 1 169 169 LEU CA C 13 56.231 0.20 . 1 . . . . . . . . 6024 1 810 . 1 1 169 169 LEU CB C 13 42.026 0.20 . 1 . . . . . . . . 6024 1 811 . 1 1 169 169 LEU C C 13 178.369 0.20 . 1 . . . . . . . . 6024 1 812 . 1 1 170 170 THR N N 15 105.333 0.15 . 1 . . . . . . . . 6024 1 813 . 1 1 170 170 THR H H 1 7.976 0.02 . 1 . . . . . . . . 6024 1 814 . 1 1 170 170 THR CA C 13 60.633 0.20 . 1 . . . . . . . . 6024 1 815 . 1 1 170 170 THR CB C 13 71.590 0.20 . 1 . . . . . . . . 6024 1 816 . 1 1 170 170 THR C C 13 174.674 0.20 . 1 . . . . . . . . 6024 1 817 . 1 1 171 171 GLY N N 15 110.333 0.15 . 1 . . . . . . . . 6024 1 818 . 1 1 171 171 GLY H H 1 7.881 0.02 . 1 . . . . . . . . 6024 1 819 . 1 1 171 171 GLY CA C 13 44.642 0.20 . 1 . . . . . . . . 6024 1 820 . 1 1 171 171 GLY C C 13 173.998 0.20 . 1 . . . . . . . . 6024 1 821 . 1 1 172 172 GLU N N 15 116.586 0.15 . 1 . . . . . . . . 6024 1 822 . 1 1 172 172 GLU H H 1 8.365 0.02 . 1 . . . . . . . . 6024 1 823 . 1 1 172 172 GLU CA C 13 55.569 0.20 . 1 . . . . . . . . 6024 1 824 . 1 1 172 172 GLU CB C 13 28.792 0.20 . 1 . . . . . . . . 6024 1 825 . 1 1 172 172 GLU C C 13 176.445 0.20 . 1 . . . . . . . . 6024 1 826 . 1 1 173 173 LEU N N 15 122.470 0.15 . 1 . . . . . . . . 6024 1 827 . 1 1 173 173 LEU H H 1 7.468 0.02 . 1 . . . . . . . . 6024 1 828 . 1 1 173 173 LEU CA C 13 57.766 0.20 . 1 . . . . . . . . 6024 1 829 . 1 1 173 173 LEU CB C 13 41.709 0.20 . 1 . . . . . . . . 6024 1 830 . 1 1 173 173 LEU C C 13 177.442 0.20 . 1 . . . . . . . . 6024 1 831 . 1 1 174 174 LEU N N 15 118.078 0.15 . 1 . . . . . . . . 6024 1 832 . 1 1 174 174 LEU H H 1 8.687 0.02 . 1 . . . . . . . . 6024 1 833 . 1 1 174 174 LEU CA C 13 52.314 0.20 . 1 . . . . . . . . 6024 1 834 . 1 1 174 174 LEU CB C 13 43.262 0.20 . 1 . . . . . . . . 6024 1 835 . 1 1 174 174 LEU C C 13 177.644 0.20 . 1 . . . . . . . . 6024 1 836 . 1 1 175 175 THR N N 15 112.279 0.15 . 1 . . . . . . . . 6024 1 837 . 1 1 175 175 THR H H 1 8.954 0.02 . 1 . . . . . . . . 6024 1 838 . 1 1 175 175 THR CA C 13 61.713 0.20 . 1 . . . . . . . . 6024 1 839 . 1 1 175 175 THR CB C 13 71.189 0.20 . 1 . . . . . . . . 6024 1 840 . 1 1 175 175 THR C C 13 175.413 0.20 . 1 . . . . . . . . 6024 1 841 . 1 1 176 176 LEU N N 15 122.729 0.15 . 1 . . . . . . . . 6024 1 842 . 1 1 176 176 LEU H H 1 8.675 0.02 . 1 . . . . . . . . 6024 1 843 . 1 1 176 176 LEU CA C 13 58.442 0.20 . 1 . . . . . . . . 6024 1 844 . 1 1 176 176 LEU CB C 13 40.583 0.20 . 1 . . . . . . . . 6024 1 845 . 1 1 176 176 LEU C C 13 179.135 0.20 . 1 . . . . . . . . 6024 1 846 . 1 1 177 177 ALA N N 15 118.389 0.15 . 1 . . . . . . . . 6024 1 847 . 1 1 177 177 ALA H H 1 8.433 0.02 . 1 . . . . . . . . 6024 1 848 . 1 1 177 177 ALA CA C 13 54.484 0.20 . 1 . . . . . . . . 6024 1 849 . 1 1 177 177 ALA CB C 13 17.341 0.20 . 1 . . . . . . . . 6024 1 850 . 1 1 177 177 ALA C C 13 181.542 0.20 . 1 . . . . . . . . 6024 1 851 . 1 1 178 178 SER N N 15 118.228 0.15 . 1 . . . . . . . . 6024 1 852 . 1 1 178 178 SER H H 1 7.746 0.02 . 1 . . . . . . . . 6024 1 853 . 1 1 178 178 SER CA C 13 62.255 0.20 . 1 . . . . . . . . 6024 1 854 . 1 1 178 178 SER C C 13 175.109 0.20 . 1 . . . . . . . . 6024 1 855 . 1 1 179 179 ARG N N 15 123.286 0.15 . 1 . . . . . . . . 6024 1 856 . 1 1 179 179 ARG H H 1 9.056 0.02 . 1 . . . . . . . . 6024 1 857 . 1 1 179 179 ARG CA C 13 59.896 0.20 . 1 . . . . . . . . 6024 1 858 . 1 1 179 179 ARG CB C 13 30.046 0.20 . 1 . . . . . . . . 6024 1 859 . 1 1 179 179 ARG C C 13 178.606 0.20 . 1 . . . . . . . . 6024 1 860 . 1 1 180 180 GLN N N 15 117.463 0.15 . 1 . . . . . . . . 6024 1 861 . 1 1 180 180 GLN H H 1 8.213 0.02 . 1 . . . . . . . . 6024 1 862 . 1 1 180 180 GLN CA C 13 57.113 0.20 . 1 . . . . . . . . 6024 1 863 . 1 1 180 180 GLN CB C 13 27.624 0.20 . 1 . . . . . . . . 6024 1 864 . 1 1 180 180 GLN C C 13 177.165 0.20 . 1 . . . . . . . . 6024 1 865 . 1 1 181 181 GLN N N 15 117.918 0.15 . 1 . . . . . . . . 6024 1 866 . 1 1 181 181 GLN H H 1 7.590 0.02 . 1 . . . . . . . . 6024 1 867 . 1 1 181 181 GLN CA C 13 56.531 0.20 . 1 . . . . . . . . 6024 1 868 . 1 1 181 181 GLN CB C 13 27.701 0.20 . 1 . . . . . . . . 6024 1 869 . 1 1 181 181 GLN C C 13 177.897 0.20 . 1 . . . . . . . . 6024 1 870 . 1 1 182 182 LEU N N 15 120.848 0.15 . 1 . . . . . . . . 6024 1 871 . 1 1 182 182 LEU H H 1 7.969 0.02 . 1 . . . . . . . . 6024 1 872 . 1 1 182 182 LEU CA C 13 57.754 0.20 . 1 . . . . . . . . 6024 1 873 . 1 1 182 182 LEU CB C 13 40.671 0.20 . 1 . . . . . . . . 6024 1 874 . 1 1 182 182 LEU C C 13 178.319 0.20 . 1 . . . . . . . . 6024 1 875 . 1 1 183 183 ILE N N 15 117.887 0.15 . 1 . . . . . . . . 6024 1 876 . 1 1 183 183 ILE H H 1 7.790 0.02 . 1 . . . . . . . . 6024 1 877 . 1 1 183 183 ILE CA C 13 65.052 0.20 . 1 . . . . . . . . 6024 1 878 . 1 1 183 183 ILE CB C 13 37.263 0.20 . 1 . . . . . . . . 6024 1 879 . 1 1 183 183 ILE C C 13 177.323 0.20 . 1 . . . . . . . . 6024 1 880 . 1 1 184 184 ASP N N 15 122.147 0.15 . 1 . . . . . . . . 6024 1 881 . 1 1 184 184 ASP H H 1 8.660 0.02 . 1 . . . . . . . . 6024 1 882 . 1 1 184 184 ASP CA C 13 57.190 0.20 . 1 . . . . . . . . 6024 1 883 . 1 1 184 184 ASP CB C 13 39.315 0.20 . 1 . . . . . . . . 6024 1 884 . 1 1 184 184 ASP C C 13 181.414 0.20 . 1 . . . . . . . . 6024 1 885 . 1 1 185 185 TRP N N 15 120.165 0.15 . 1 . . . . . . . . 6024 1 886 . 1 1 185 185 TRP H H 1 8.031 0.02 . 1 . . . . . . . . 6024 1 887 . 1 1 185 185 TRP CA C 13 59.313 0.20 . 1 . . . . . . . . 6024 1 888 . 1 1 185 185 TRP CB C 13 28.122 0.20 . 1 . . . . . . . . 6024 1 889 . 1 1 185 185 TRP C C 13 177.182 0.20 . 1 . . . . . . . . 6024 1 890 . 1 1 186 186 MET N N 15 115.746 0.15 . 1 . . . . . . . . 6024 1 891 . 1 1 186 186 MET H H 1 7.717 0.02 . 1 . . . . . . . . 6024 1 892 . 1 1 186 186 MET CA C 13 58.933 0.20 . 1 . . . . . . . . 6024 1 893 . 1 1 186 186 MET CB C 13 34.662 0.20 . 1 . . . . . . . . 6024 1 894 . 1 1 186 186 MET C C 13 180.304 0.20 . 1 . . . . . . . . 6024 1 895 . 1 1 187 187 GLU N N 15 124.573 0.15 . 1 . . . . . . . . 6024 1 896 . 1 1 187 187 GLU H H 1 9.626 0.02 . 1 . . . . . . . . 6024 1 897 . 1 1 187 187 GLU CA C 13 59.200 0.20 . 1 . . . . . . . . 6024 1 898 . 1 1 187 187 GLU CB C 13 28.980 0.20 . 1 . . . . . . . . 6024 1 899 . 1 1 187 187 GLU C C 13 178.154 0.20 . 1 . . . . . . . . 6024 1 900 . 1 1 188 188 ALA N N 15 119.460 0.15 . 1 . . . . . . . . 6024 1 901 . 1 1 188 188 ALA H H 1 7.338 0.02 . 1 . . . . . . . . 6024 1 902 . 1 1 188 188 ALA CA C 13 51.369 0.20 . 1 . . . . . . . . 6024 1 903 . 1 1 188 188 ALA CB C 13 18.248 0.20 . 1 . . . . . . . . 6024 1 904 . 1 1 188 188 ALA C C 13 175.576 0.20 . 1 . . . . . . . . 6024 1 905 . 1 1 189 189 ASP N N 15 115.622 0.15 . 1 . . . . . . . . 6024 1 906 . 1 1 189 189 ASP H H 1 6.979 0.02 . 1 . . . . . . . . 6024 1 907 . 1 1 189 189 ASP CA C 13 54.541 0.20 . 1 . . . . . . . . 6024 1 908 . 1 1 189 189 ASP CB C 13 38.548 0.20 . 1 . . . . . . . . 6024 1 909 . 1 1 189 189 ASP C C 13 177.342 0.20 . 1 . . . . . . . . 6024 1 910 . 1 1 190 190 LYS N N 15 127.039 0.15 . 1 . . . . . . . . 6024 1 911 . 1 1 190 190 LYS H H 1 9.482 0.02 . 1 . . . . . . . . 6024 1 912 . 1 1 190 190 LYS C C 13 179.569 0.20 . 1 . . . . . . . . 6024 1 913 . 1 1 191 191 VAL N N 15 110.312 0.15 . 1 . . . . . . . . 6024 1 914 . 1 1 191 191 VAL H H 1 7.228 0.02 . 1 . . . . . . . . 6024 1 915 . 1 1 191 191 VAL CA C 13 60.376 0.20 . 1 . . . . . . . . 6024 1 916 . 1 1 191 191 VAL CB C 13 31.106 0.20 . 1 . . . . . . . . 6024 1 917 . 1 1 191 191 VAL C C 13 175.051 0.20 . 1 . . . . . . . . 6024 1 918 . 1 1 192 192 ALA N N 15 125.193 0.15 . 1 . . . . . . . . 6024 1 919 . 1 1 192 192 ALA H H 1 8.873 0.02 . 1 . . . . . . . . 6024 1 920 . 1 1 192 192 ALA CA C 13 50.088 0.20 . 1 . . . . . . . . 6024 1 921 . 1 1 192 192 ALA CB C 13 19.872 0.20 . 1 . . . . . . . . 6024 1 922 . 1 1 192 192 ALA C C 13 178.352 0.20 . 1 . . . . . . . . 6024 1 923 . 1 1 193 193 GLY N N 15 114.168 0.15 . 1 . . . . . . . . 6024 1 924 . 1 1 193 193 GLY H H 1 8.913 0.02 . 1 . . . . . . . . 6024 1 925 . 1 1 193 193 GLY CA C 13 48.278 0.20 . 1 . . . . . . . . 6024 1 926 . 1 1 193 193 GLY C C 13 173.845 0.20 . 1 . . . . . . . . 6024 1 927 . 1 1 194 194 PRO CA C 13 63.562 0.20 . 1 . . . . . . . . 6024 1 928 . 1 1 194 194 PRO CB C 13 31.550 0.20 . 1 . . . . . . . . 6024 1 929 . 1 1 194 194 PRO C C 13 175.176 0.20 . 1 . . . . . . . . 6024 1 930 . 1 1 195 195 LEU N N 15 113.842 0.15 . 1 . . . . . . . . 6024 1 931 . 1 1 195 195 LEU H H 1 6.813 0.02 . 1 . . . . . . . . 6024 1 932 . 1 1 195 195 LEU CA C 13 51.506 0.20 . 1 . . . . . . . . 6024 1 933 . 1 1 195 195 LEU CB C 13 38.858 0.20 . 1 . . . . . . . . 6024 1 934 . 1 1 195 195 LEU C C 13 176.413 0.20 . 1 . . . . . . . . 6024 1 935 . 1 1 196 196 LEU N N 15 123.045 0.15 . 1 . . . . . . . . 6024 1 936 . 1 1 196 196 LEU H H 1 6.888 0.02 . 1 . . . . . . . . 6024 1 937 . 1 1 196 196 LEU CA C 13 57.594 0.20 . 1 . . . . . . . . 6024 1 938 . 1 1 196 196 LEU CB C 13 41.115 0.20 . 1 . . . . . . . . 6024 1 939 . 1 1 196 196 LEU C C 13 178.634 0.20 . 1 . . . . . . . . 6024 1 940 . 1 1 197 197 ARG N N 15 115.768 0.15 . 1 . . . . . . . . 6024 1 941 . 1 1 197 197 ARG H H 1 8.940 0.02 . 1 . . . . . . . . 6024 1 942 . 1 1 197 197 ARG CA C 13 59.373 0.20 . 1 . . . . . . . . 6024 1 943 . 1 1 197 197 ARG CB C 13 29.038 0.20 . 1 . . . . . . . . 6024 1 944 . 1 1 197 197 ARG C C 13 177.528 0.20 . 1 . . . . . . . . 6024 1 945 . 1 1 198 198 SER N N 15 113.020 0.15 . 1 . . . . . . . . 6024 1 946 . 1 1 198 198 SER H H 1 7.000 0.02 . 1 . . . . . . . . 6024 1 947 . 1 1 198 198 SER CA C 13 60.565 0.20 . 1 . . . . . . . . 6024 1 948 . 1 1 198 198 SER CB C 13 62.673 0.20 . 1 . . . . . . . . 6024 1 949 . 1 1 198 198 SER C C 13 174.048 0.20 . 1 . . . . . . . . 6024 1 950 . 1 1 199 199 ALA N N 15 122.515 0.15 . 1 . . . . . . . . 6024 1 951 . 1 1 199 199 ALA H H 1 7.280 0.02 . 1 . . . . . . . . 6024 1 952 . 1 1 199 199 ALA CA C 13 50.238 0.20 . 1 . . . . . . . . 6024 1 953 . 1 1 199 199 ALA CB C 13 18.836 0.20 . 1 . . . . . . . . 6024 1 954 . 1 1 199 199 ALA C C 13 176.335 0.20 . 1 . . . . . . . . 6024 1 955 . 1 1 200 200 LEU N N 15 120.519 0.15 . 1 . . . . . . . . 6024 1 956 . 1 1 200 200 LEU H H 1 6.695 0.02 . 1 . . . . . . . . 6024 1 957 . 1 1 200 200 LEU CA C 13 52.610 0.20 . 1 . . . . . . . . 6024 1 958 . 1 1 200 200 LEU CB C 13 42.691 0.20 . 1 . . . . . . . . 6024 1 959 . 1 1 200 200 LEU C C 13 174.588 0.20 . 1 . . . . . . . . 6024 1 960 . 1 1 201 201 PRO CA C 13 61.076 0.20 . 1 . . . . . . . . 6024 1 961 . 1 1 201 201 PRO CB C 13 31.193 0.20 . 1 . . . . . . . . 6024 1 962 . 1 1 201 201 PRO C C 13 175.855 0.20 . 1 . . . . . . . . 6024 1 963 . 1 1 202 202 ALA N N 15 122.434 0.15 . 1 . . . . . . . . 6024 1 964 . 1 1 202 202 ALA H H 1 8.215 0.02 . 1 . . . . . . . . 6024 1 965 . 1 1 202 202 ALA CA C 13 52.962 0.20 . 1 . . . . . . . . 6024 1 966 . 1 1 202 202 ALA CB C 13 17.468 0.20 . 1 . . . . . . . . 6024 1 967 . 1 1 202 202 ALA C C 13 179.458 0.20 . 1 . . . . . . . . 6024 1 968 . 1 1 203 203 GLY N N 15 109.929 0.15 . 1 . . . . . . . . 6024 1 969 . 1 1 203 203 GLY H H 1 8.797 0.02 . 1 . . . . . . . . 6024 1 970 . 1 1 203 203 GLY CA C 13 44.957 0.20 . 1 . . . . . . . . 6024 1 971 . 1 1 203 203 GLY C C 13 175.375 0.20 . 1 . . . . . . . . 6024 1 972 . 1 1 204 204 TRP N N 15 120.415 0.15 . 1 . . . . . . . . 6024 1 973 . 1 1 204 204 TRP H H 1 7.633 0.02 . 1 . . . . . . . . 6024 1 974 . 1 1 204 204 TRP CA C 13 58.729 0.20 . 1 . . . . . . . . 6024 1 975 . 1 1 204 204 TRP CB C 13 28.186 0.20 . 1 . . . . . . . . 6024 1 976 . 1 1 204 204 TRP C C 13 175.442 0.20 . 1 . . . . . . . . 6024 1 977 . 1 1 205 205 PHE N N 15 122.804 0.15 . 1 . . . . . . . . 6024 1 978 . 1 1 205 205 PHE H H 1 9.379 0.02 . 1 . . . . . . . . 6024 1 979 . 1 1 205 205 PHE CA C 13 56.380 0.20 . 1 . . . . . . . . 6024 1 980 . 1 1 205 205 PHE CB C 13 41.345 0.20 . 1 . . . . . . . . 6024 1 981 . 1 1 205 205 PHE C C 13 174.822 0.20 . 1 . . . . . . . . 6024 1 982 . 1 1 206 206 ILE N N 15 123.147 0.15 . 1 . . . . . . . . 6024 1 983 . 1 1 206 206 ILE H H 1 7.490 0.02 . 1 . . . . . . . . 6024 1 984 . 1 1 206 206 ILE CA C 13 60.055 0.20 . 1 . . . . . . . . 6024 1 985 . 1 1 206 206 ILE CB C 13 39.253 0.20 . 1 . . . . . . . . 6024 1 986 . 1 1 206 206 ILE C C 13 169.601 0.20 . 1 . . . . . . . . 6024 1 987 . 1 1 207 207 ALA N N 15 127.793 0.15 . 1 . . . . . . . . 6024 1 988 . 1 1 207 207 ALA H H 1 8.440 0.02 . 1 . . . . . . . . 6024 1 989 . 1 1 207 207 ALA CA C 13 50.221 0.20 . 1 . . . . . . . . 6024 1 990 . 1 1 207 207 ALA CB C 13 20.718 0.20 . 1 . . . . . . . . 6024 1 991 . 1 1 207 207 ALA C C 13 174.936 0.20 . 1 . . . . . . . . 6024 1 992 . 1 1 208 208 ASP N N 15 123.753 0.15 . 1 . . . . . . . . 6024 1 993 . 1 1 208 208 ASP H H 1 8.244 0.02 . 1 . . . . . . . . 6024 1 994 . 1 1 208 208 ASP CA C 13 52.649 0.20 . 1 . . . . . . . . 6024 1 995 . 1 1 208 208 ASP CB C 13 44.477 0.20 . 1 . . . . . . . . 6024 1 996 . 1 1 208 208 ASP C C 13 172.745 0.20 . 1 . . . . . . . . 6024 1 997 . 1 1 209 209 LYS N N 15 109.433 0.15 . 1 . . . . . . . . 6024 1 998 . 1 1 209 209 LYS H H 1 8.033 0.02 . 1 . . . . . . . . 6024 1 999 . 1 1 209 209 LYS CA C 13 55.218 0.20 . 1 . . . . . . . . 6024 1 1000 . 1 1 209 209 LYS CB C 13 33.551 0.20 . 1 . . . . . . . . 6024 1 1001 . 1 1 209 209 LYS C C 13 174.639 0.20 . 1 . . . . . . . . 6024 1 1002 . 1 1 210 210 SER N N 15 115.343 0.15 . 1 . . . . . . . . 6024 1 1003 . 1 1 210 210 SER H H 1 8.242 0.02 . 1 . . . . . . . . 6024 1 1004 . 1 1 210 210 SER CA C 13 56.848 0.20 . 1 . . . . . . . . 6024 1 1005 . 1 1 210 210 SER CB C 13 67.483 0.20 . 1 . . . . . . . . 6024 1 1006 . 1 1 210 210 SER C C 13 174.119 0.20 . 1 . . . . . . . . 6024 1 1007 . 1 1 211 211 GLY N N 15 102.625 0.15 . 1 . . . . . . . . 6024 1 1008 . 1 1 211 211 GLY H H 1 8.582 0.02 . 1 . . . . . . . . 6024 1 1009 . 1 1 211 211 GLY CA C 13 45.812 0.20 . 1 . . . . . . . . 6024 1 1010 . 1 1 211 211 GLY C C 13 171.915 0.20 . 1 . . . . . . . . 6024 1 1011 . 1 1 212 212 ALA CA C 13 52.608 0.20 . 1 . . . . . . . . 6024 1 1012 . 1 1 212 212 ALA CB C 13 22.249 0.20 . 1 . . . . . . . . 6024 1 1013 . 1 1 212 212 ALA C C 13 175.516 0.20 . 1 . . . . . . . . 6024 1 1014 . 1 1 213 213 GLY N N 15 107.229 0.15 . 1 . . . . . . . . 6024 1 1015 . 1 1 213 213 GLY H H 1 7.690 0.02 . 1 . . . . . . . . 6024 1 1016 . 1 1 213 213 GLY CA C 13 44.950 0.20 . 1 . . . . . . . . 6024 1 1017 . 1 1 213 213 GLY C C 13 172.777 0.20 . 1 . . . . . . . . 6024 1 1018 . 1 1 214 214 GLU N N 15 117.000 0.15 . 1 . . . . . . . . 6024 1 1019 . 1 1 214 214 GLU H H 1 7.857 0.02 . 1 . . . . . . . . 6024 1 1020 . 1 1 214 214 GLU CA C 13 55.751 0.20 . 1 . . . . . . . . 6024 1 1021 . 1 1 214 214 GLU CB C 13 29.244 0.20 . 1 . . . . . . . . 6024 1 1022 . 1 1 214 214 GLU C C 13 176.031 0.20 . 1 . . . . . . . . 6024 1 1023 . 1 1 215 215 ARG N N 15 117.913 0.15 . 1 . . . . . . . . 6024 1 1024 . 1 1 215 215 ARG H H 1 9.435 0.02 . 1 . . . . . . . . 6024 1 1025 . 1 1 215 215 ARG CA C 13 56.816 0.20 . 1 . . . . . . . . 6024 1 1026 . 1 1 215 215 ARG CB C 13 26.679 0.20 . 1 . . . . . . . . 6024 1 1027 . 1 1 215 215 ARG C C 13 176.094 0.20 . 1 . . . . . . . . 6024 1 1028 . 1 1 216 216 GLY N N 15 102.738 0.15 . 1 . . . . . . . . 6024 1 1029 . 1 1 216 216 GLY H H 1 8.770 0.02 . 1 . . . . . . . . 6024 1 1030 . 1 1 216 216 GLY CA C 13 46.123 0.20 . 1 . . . . . . . . 6024 1 1031 . 1 1 216 216 GLY C C 13 177.284 0.20 . 1 . . . . . . . . 6024 1 1032 . 1 1 217 217 SER N N 15 118.999 0.15 . 1 . . . . . . . . 6024 1 1033 . 1 1 217 217 SER H H 1 7.516 0.02 . 1 . . . . . . . . 6024 1 1034 . 1 1 217 217 SER CA C 13 59.621 0.20 . 1 . . . . . . . . 6024 1 1035 . 1 1 217 217 SER CB C 13 63.755 0.20 . 1 . . . . . . . . 6024 1 1036 . 1 1 217 217 SER C C 13 174.986 0.20 . 1 . . . . . . . . 6024 1 1037 . 1 1 218 218 ARG N N 15 126.071 0.15 . 1 . . . . . . . . 6024 1 1038 . 1 1 218 218 ARG H H 1 9.036 0.02 . 1 . . . . . . . . 6024 1 1039 . 1 1 218 218 ARG CA C 13 53.950 0.20 . 1 . . . . . . . . 6024 1 1040 . 1 1 218 218 ARG CB C 13 33.914 0.20 . 1 . . . . . . . . 6024 1 1041 . 1 1 218 218 ARG C C 13 174.288 0.20 . 1 . . . . . . . . 6024 1 1042 . 1 1 219 219 GLY N N 15 111.284 0.15 . 1 . . . . . . . . 6024 1 1043 . 1 1 219 219 GLY H H 1 8.519 0.02 . 1 . . . . . . . . 6024 1 1044 . 1 1 219 219 GLY CA C 13 46.139 0.20 . 1 . . . . . . . . 6024 1 1045 . 1 1 219 219 GLY C C 13 170.318 0.20 . 1 . . . . . . . . 6024 1 1046 . 1 1 220 220 ILE N N 15 116.812 0.15 . 1 . . . . . . . . 6024 1 1047 . 1 1 220 220 ILE H H 1 9.161 0.02 . 1 . . . . . . . . 6024 1 1048 . 1 1 220 220 ILE CA C 13 59.257 0.20 . 1 . . . . . . . . 6024 1 1049 . 1 1 220 220 ILE CB C 13 40.028 0.20 . 1 . . . . . . . . 6024 1 1050 . 1 1 220 220 ILE C C 13 170.449 0.20 . 1 . . . . . . . . 6024 1 1051 . 1 1 221 221 ILE N N 15 117.869 0.15 . 1 . . . . . . . . 6024 1 1052 . 1 1 221 221 ILE H H 1 8.091 0.02 . 1 . . . . . . . . 6024 1 1053 . 1 1 221 221 ILE CA C 13 58.065 0.20 . 1 . . . . . . . . 6024 1 1054 . 1 1 221 221 ILE CB C 13 39.064 0.20 . 1 . . . . . . . . 6024 1 1055 . 1 1 221 221 ILE C C 13 174.795 0.20 . 1 . . . . . . . . 6024 1 1056 . 1 1 222 222 ALA N N 15 122.448 0.15 . 1 . . . . . . . . 6024 1 1057 . 1 1 222 222 ALA H H 1 8.992 0.02 . 1 . . . . . . . . 6024 1 1058 . 1 1 222 222 ALA CA C 13 51.005 0.20 . 1 . . . . . . . . 6024 1 1059 . 1 1 222 222 ALA CB C 13 23.588 0.20 . 1 . . . . . . . . 6024 1 1060 . 1 1 222 222 ALA C C 13 174.668 0.20 . 1 . . . . . . . . 6024 1 1061 . 1 1 223 223 ALA N N 15 122.536 0.15 . 1 . . . . . . . . 6024 1 1062 . 1 1 223 223 ALA H H 1 9.330 0.02 . 1 . . . . . . . . 6024 1 1063 . 1 1 223 223 ALA CA C 13 50.015 0.20 . 1 . . . . . . . . 6024 1 1064 . 1 1 223 223 ALA CB C 13 19.660 0.20 . 1 . . . . . . . . 6024 1 1065 . 1 1 223 223 ALA C C 13 175.638 0.20 . 1 . . . . . . . . 6024 1 1066 . 1 1 224 224 LEU N N 15 120.857 0.15 . 1 . . . . . . . . 6024 1 1067 . 1 1 224 224 LEU H H 1 9.312 0.02 . 1 . . . . . . . . 6024 1 1068 . 1 1 224 224 LEU CA C 13 54.708 0.20 . 1 . . . . . . . . 6024 1 1069 . 1 1 224 224 LEU CB C 13 45.580 0.20 . 1 . . . . . . . . 6024 1 1070 . 1 1 224 224 LEU C C 13 176.815 0.20 . 1 . . . . . . . . 6024 1 1071 . 1 1 225 225 GLY N N 15 110.278 0.15 . 1 . . . . . . . . 6024 1 1072 . 1 1 225 225 GLY H H 1 8.790 0.02 . 1 . . . . . . . . 6024 1 1073 . 1 1 225 225 GLY CA C 13 46.319 0.20 . 1 . . . . . . . . 6024 1 1074 . 1 1 225 225 GLY C C 13 181.291 0.20 . 1 . . . . . . . . 6024 1 1075 . 1 1 226 226 PRO CA C 13 60.391 0.20 . 1 . . . . . . . . 6024 1 1076 . 1 1 226 226 PRO CB C 13 30.842 0.20 . 1 . . . . . . . . 6024 1 1077 . 1 1 226 226 PRO C C 13 176.096 0.20 . 1 . . . . . . . . 6024 1 1078 . 1 1 227 227 ASP N N 15 114.148 0.15 . 1 . . . . . . . . 6024 1 1079 . 1 1 227 227 ASP H H 1 7.909 0.02 . 1 . . . . . . . . 6024 1 1080 . 1 1 227 227 ASP CA C 13 54.560 0.20 . 1 . . . . . . . . 6024 1 1081 . 1 1 227 227 ASP CB C 13 38.746 0.20 . 1 . . . . . . . . 6024 1 1082 . 1 1 227 227 ASP C C 13 177.147 0.20 . 1 . . . . . . . . 6024 1 1083 . 1 1 228 228 GLY N N 15 100.096 0.15 . 1 . . . . . . . . 6024 1 1084 . 1 1 228 228 GLY H H 1 7.718 0.02 . 1 . . . . . . . . 6024 1 1085 . 1 1 228 228 GLY CA C 13 46.373 0.20 . 1 . . . . . . . . 6024 1 1086 . 1 1 228 228 GLY C C 13 173.404 0.20 . 1 . . . . . . . . 6024 1 1087 . 1 1 229 229 LYS N N 15 119.306 0.15 . 1 . . . . . . . . 6024 1 1088 . 1 1 229 229 LYS H H 1 7.172 0.02 . 1 . . . . . . . . 6024 1 1089 . 1 1 229 229 LYS CA C 13 51.922 0.20 . 1 . . . . . . . . 6024 1 1090 . 1 1 229 229 LYS CB C 13 33.606 0.20 . 1 . . . . . . . . 6024 1 1091 . 1 1 229 229 LYS C C 13 172.510 0.20 . 1 . . . . . . . . 6024 1 1092 . 1 1 230 230 PRO CA C 13 61.730 0.20 . 1 . . . . . . . . 6024 1 1093 . 1 1 230 230 PRO CB C 13 30.565 0.20 . 1 . . . . . . . . 6024 1 1094 . 1 1 230 230 PRO C C 13 176.054 0.20 . 1 . . . . . . . . 6024 1 1095 . 1 1 231 231 SER N N 15 112.482 0.15 . 1 . . . . . . . . 6024 1 1096 . 1 1 231 231 SER H H 1 8.530 0.02 . 1 . . . . . . . . 6024 1 1097 . 1 1 231 231 SER CA C 13 58.668 0.20 . 1 . . . . . . . . 6024 1 1098 . 1 1 231 231 SER CB C 13 65.003 0.20 . 1 . . . . . . . . 6024 1 1099 . 1 1 231 231 SER C C 13 174.600 0.20 . 1 . . . . . . . . 6024 1 1100 . 1 1 232 232 ARG N N 15 122.363 0.15 . 1 . . . . . . . . 6024 1 1101 . 1 1 232 232 ARG H H 1 8.820 0.02 . 1 . . . . . . . . 6024 1 1102 . 1 1 232 232 ARG CA C 13 55.409 0.20 . 1 . . . . . . . . 6024 1 1103 . 1 1 232 232 ARG CB C 13 34.896 0.20 . 1 . . . . . . . . 6024 1 1104 . 1 1 232 232 ARG C C 13 174.594 0.20 . 1 . . . . . . . . 6024 1 1105 . 1 1 233 233 ILE N N 15 122.097 0.15 . 1 . . . . . . . . 6024 1 1106 . 1 1 233 233 ILE H H 1 9.192 0.02 . 1 . . . . . . . . 6024 1 1107 . 1 1 233 233 ILE CA C 13 58.312 0.20 . 1 . . . . . . . . 6024 1 1108 . 1 1 233 233 ILE CB C 13 39.741 0.20 . 1 . . . . . . . . 6024 1 1109 . 1 1 233 233 ILE C C 13 174.608 0.20 . 1 . . . . . . . . 6024 1 1110 . 1 1 234 234 VAL N N 15 125.910 0.15 . 1 . . . . . . . . 6024 1 1111 . 1 1 234 234 VAL H H 1 9.212 0.02 . 1 . . . . . . . . 6024 1 1112 . 1 1 234 234 VAL CA C 13 59.220 0.20 . 1 . . . . . . . . 6024 1 1113 . 1 1 234 234 VAL CB C 13 35.162 0.20 . 1 . . . . . . . . 6024 1 1114 . 1 1 234 234 VAL C C 13 173.600 0.20 . 1 . . . . . . . . 6024 1 1115 . 1 1 235 235 VAL N N 15 125.054 0.15 . 1 . . . . . . . . 6024 1 1116 . 1 1 235 235 VAL H H 1 8.248 0.02 . 1 . . . . . . . . 6024 1 1117 . 1 1 235 235 VAL CA C 13 60.112 0.20 . 1 . . . . . . . . 6024 1 1118 . 1 1 235 235 VAL CB C 13 34.711 0.20 . 1 . . . . . . . . 6024 1 1119 . 1 1 235 235 VAL C C 13 173.757 0.20 . 1 . . . . . . . . 6024 1 1120 . 1 1 236 236 ILE N N 15 122.932 0.15 . 1 . . . . . . . . 6024 1 1121 . 1 1 236 236 ILE H H 1 8.330 0.02 . 1 . . . . . . . . 6024 1 1122 . 1 1 236 236 ILE CA C 13 59.595 0.20 . 1 . . . . . . . . 6024 1 1123 . 1 1 236 236 ILE CB C 13 40.848 0.20 . 1 . . . . . . . . 6024 1 1124 . 1 1 236 236 ILE C C 13 174.334 0.20 . 1 . . . . . . . . 6024 1 1125 . 1 1 237 237 TYR N N 15 121.882 0.15 . 1 . . . . . . . . 6024 1 1126 . 1 1 237 237 TYR H H 1 8.720 0.02 . 1 . . . . . . . . 6024 1 1127 . 1 1 237 237 TYR CA C 13 56.719 0.20 . 1 . . . . . . . . 6024 1 1128 . 1 1 237 237 TYR CB C 13 44.465 0.20 . 1 . . . . . . . . 6024 1 1129 . 1 1 237 237 TYR C C 13 173.954 0.20 . 1 . . . . . . . . 6024 1 1130 . 1 1 238 238 THR N N 15 111.207 0.15 . 1 . . . . . . . . 6024 1 1131 . 1 1 238 238 THR H H 1 8.924 0.02 . 1 . . . . . . . . 6024 1 1132 . 1 1 238 238 THR CA C 13 59.239 0.20 . 1 . . . . . . . . 6024 1 1133 . 1 1 238 238 THR CB C 13 69.700 0.20 . 1 . . . . . . . . 6024 1 1134 . 1 1 238 238 THR C C 13 172.523 0.20 . 1 . . . . . . . . 6024 1 1135 . 1 1 239 239 THR N N 15 121.703 0.15 . 1 . . . . . . . . 6024 1 1136 . 1 1 239 239 THR H H 1 7.985 0.02 . 1 . . . . . . . . 6024 1 1137 . 1 1 239 239 THR CA C 13 63.106 0.20 . 1 . . . . . . . . 6024 1 1138 . 1 1 239 239 THR CB C 13 68.573 0.20 . 1 . . . . . . . . 6024 1 1139 . 1 1 239 239 THR C C 13 171.664 0.20 . 1 . . . . . . . . 6024 1 1140 . 1 1 240 240 GLY N N 15 113.793 0.15 . 1 . . . . . . . . 6024 1 1141 . 1 1 240 240 GLY H H 1 8.651 0.02 . 1 . . . . . . . . 6024 1 1142 . 1 1 240 240 GLY CA C 13 45.213 0.20 . 1 . . . . . . . . 6024 1 1143 . 1 1 240 240 GLY C C 13 174.919 0.20 . 1 . . . . . . . . 6024 1 1144 . 1 1 241 241 SER N N 15 114.532 0.15 . 1 . . . . . . . . 6024 1 1145 . 1 1 241 241 SER H H 1 8.358 0.02 . 1 . . . . . . . . 6024 1 1146 . 1 1 241 241 SER CA C 13 58.561 0.20 . 1 . . . . . . . . 6024 1 1147 . 1 1 241 241 SER CB C 13 64.912 0.20 . 1 . . . . . . . . 6024 1 1148 . 1 1 241 241 SER C C 13 175.930 0.20 . 1 . . . . . . . . 6024 1 1149 . 1 1 242 242 GLN N N 15 123.265 0.15 . 1 . . . . . . . . 6024 1 1150 . 1 1 242 242 GLN H H 1 8.817 0.02 . 1 . . . . . . . . 6024 1 1151 . 1 1 242 242 GLN CA C 13 55.273 0.20 . 1 . . . . . . . . 6024 1 1152 . 1 1 242 242 GLN CB C 13 28.247 0.20 . 1 . . . . . . . . 6024 1 1153 . 1 1 242 242 GLN C C 13 175.994 0.20 . 1 . . . . . . . . 6024 1 1154 . 1 1 243 243 ALA N N 15 123.140 0.15 . 1 . . . . . . . . 6024 1 1155 . 1 1 243 243 ALA H H 1 8.674 0.02 . 1 . . . . . . . . 6024 1 1156 . 1 1 243 243 ALA CA C 13 51.804 0.20 . 1 . . . . . . . . 6024 1 1157 . 1 1 243 243 ALA CB C 13 19.636 0.20 . 1 . . . . . . . . 6024 1 1158 . 1 1 243 243 ALA C C 13 178.745 0.20 . 1 . . . . . . . . 6024 1 1159 . 1 1 244 244 THR N N 15 112.684 0.15 . 1 . . . . . . . . 6024 1 1160 . 1 1 244 244 THR H H 1 8.642 0.02 . 1 . . . . . . . . 6024 1 1161 . 1 1 244 244 THR CA C 13 61.242 0.20 . 1 . . . . . . . . 6024 1 1162 . 1 1 244 244 THR CB C 13 70.466 0.20 . 1 . . . . . . . . 6024 1 1163 . 1 1 244 244 THR C C 13 176.020 0.20 . 1 . . . . . . . . 6024 1 1164 . 1 1 245 245 MET N N 15 122.134 0.15 . 1 . . . . . . . . 6024 1 1165 . 1 1 245 245 MET H H 1 9.124 0.02 . 1 . . . . . . . . 6024 1 1166 . 1 1 245 245 MET CA C 13 57.670 0.20 . 1 . . . . . . . . 6024 1 1167 . 1 1 245 245 MET CB C 13 30.166 0.20 . 1 . . . . . . . . 6024 1 1168 . 1 1 245 245 MET C C 13 177.858 0.20 . 1 . . . . . . . . 6024 1 1169 . 1 1 246 246 ASP N N 15 116.337 0.15 . 1 . . . . . . . . 6024 1 1170 . 1 1 246 246 ASP H H 1 8.439 0.02 . 1 . . . . . . . . 6024 1 1171 . 1 1 246 246 ASP CA C 13 57.358 0.20 . 1 . . . . . . . . 6024 1 1172 . 1 1 246 246 ASP CB C 13 40.038 0.20 . 1 . . . . . . . . 6024 1 1173 . 1 1 246 246 ASP C C 13 178.721 0.20 . 1 . . . . . . . . 6024 1 1174 . 1 1 247 247 GLU N N 15 119.965 0.15 . 1 . . . . . . . . 6024 1 1175 . 1 1 247 247 GLU H H 1 7.623 0.02 . 1 . . . . . . . . 6024 1 1176 . 1 1 247 247 GLU CA C 13 58.481 0.20 . 1 . . . . . . . . 6024 1 1177 . 1 1 247 247 GLU CB C 13 29.340 0.20 . 1 . . . . . . . . 6024 1 1178 . 1 1 247 247 GLU C C 13 179.417 0.20 . 1 . . . . . . . . 6024 1 1179 . 1 1 248 248 ARG N N 15 118.560 0.15 . 1 . . . . . . . . 6024 1 1180 . 1 1 248 248 ARG H H 1 8.140 0.02 . 1 . . . . . . . . 6024 1 1181 . 1 1 248 248 ARG CA C 13 60.243 0.20 . 1 . . . . . . . . 6024 1 1182 . 1 1 248 248 ARG CB C 13 30.119 0.20 . 1 . . . . . . . . 6024 1 1183 . 1 1 248 248 ARG C C 13 177.581 0.20 . 1 . . . . . . . . 6024 1 1184 . 1 1 249 249 ASN N N 15 116.679 0.15 . 1 . . . . . . . . 6024 1 1185 . 1 1 249 249 ASN H H 1 8.759 0.02 . 1 . . . . . . . . 6024 1 1186 . 1 1 249 249 ASN CA C 13 54.882 0.20 . 1 . . . . . . . . 6024 1 1187 . 1 1 249 249 ASN CB C 13 36.584 0.20 . 1 . . . . . . . . 6024 1 1188 . 1 1 249 249 ASN C C 13 176.597 0.20 . 1 . . . . . . . . 6024 1 1189 . 1 1 250 250 ARG N N 15 118.459 0.15 . 1 . . . . . . . . 6024 1 1190 . 1 1 250 250 ARG H H 1 8.014 0.02 . 1 . . . . . . . . 6024 1 1191 . 1 1 250 250 ARG CA C 13 58.741 0.20 . 1 . . . . . . . . 6024 1 1192 . 1 1 250 250 ARG CB C 13 29.191 0.20 . 1 . . . . . . . . 6024 1 1193 . 1 1 250 250 ARG C C 13 178.911 0.20 . 1 . . . . . . . . 6024 1 1194 . 1 1 251 251 GLN N N 15 114.541 0.15 . 1 . . . . . . . . 6024 1 1195 . 1 1 251 251 GLN H H 1 7.806 0.02 . 1 . . . . . . . . 6024 1 1196 . 1 1 251 251 GLN CA C 13 57.815 0.20 . 1 . . . . . . . . 6024 1 1197 . 1 1 251 251 GLN CB C 13 26.762 0.20 . 1 . . . . . . . . 6024 1 1198 . 1 1 251 251 GLN C C 13 178.555 0.20 . 1 . . . . . . . . 6024 1 1199 . 1 1 252 252 ILE N N 15 117.437 0.15 . 1 . . . . . . . . 6024 1 1200 . 1 1 252 252 ILE H H 1 7.427 0.02 . 1 . . . . . . . . 6024 1 1201 . 1 1 252 252 ILE CA C 13 65.365 0.20 . 1 . . . . . . . . 6024 1 1202 . 1 1 252 252 ILE CB C 13 35.457 0.20 . 1 . . . . . . . . 6024 1 1203 . 1 1 252 252 ILE C C 13 177.301 0.20 . 1 . . . . . . . . 6024 1 1204 . 1 1 253 253 ALA N N 15 123.145 0.15 . 1 . . . . . . . . 6024 1 1205 . 1 1 253 253 ALA H H 1 8.727 0.02 . 1 . . . . . . . . 6024 1 1206 . 1 1 253 253 ALA CA C 13 55.597 0.20 . 1 . . . . . . . . 6024 1 1207 . 1 1 253 253 ALA CB C 13 17.017 0.20 . 1 . . . . . . . . 6024 1 1208 . 1 1 253 253 ALA C C 13 180.560 0.20 . 1 . . . . . . . . 6024 1 1209 . 1 1 254 254 GLU N N 15 117.719 0.15 . 1 . . . . . . . . 6024 1 1210 . 1 1 254 254 GLU H H 1 8.449 0.02 . 1 . . . . . . . . 6024 1 1211 . 1 1 254 254 GLU CA C 13 59.231 0.20 . 1 . . . . . . . . 6024 1 1212 . 1 1 254 254 GLU CB C 13 28.981 0.20 . 1 . . . . . . . . 6024 1 1213 . 1 1 254 254 GLU C C 13 180.868 0.20 . 1 . . . . . . . . 6024 1 1214 . 1 1 255 255 ILE N N 15 123.355 0.15 . 1 . . . . . . . . 6024 1 1215 . 1 1 255 255 ILE H H 1 8.076 0.02 . 1 . . . . . . . . 6024 1 1216 . 1 1 255 255 ILE CA C 13 66.205 0.20 . 1 . . . . . . . . 6024 1 1217 . 1 1 255 255 ILE CB C 13 36.998 0.20 . 1 . . . . . . . . 6024 1 1218 . 1 1 255 255 ILE C C 13 178.074 0.20 . 1 . . . . . . . . 6024 1 1219 . 1 1 256 256 GLY N N 15 106.238 0.15 . 1 . . . . . . . . 6024 1 1220 . 1 1 256 256 GLY H H 1 8.358 0.02 . 1 . . . . . . . . 6024 1 1221 . 1 1 256 256 GLY CA C 13 47.248 0.20 . 1 . . . . . . . . 6024 1 1222 . 1 1 256 256 GLY C C 13 173.958 0.20 . 1 . . . . . . . . 6024 1 1223 . 1 1 257 257 ALA N N 15 122.109 0.15 . 1 . . . . . . . . 6024 1 1224 . 1 1 257 257 ALA H H 1 8.618 0.02 . 1 . . . . . . . . 6024 1 1225 . 1 1 257 257 ALA CA C 13 54.680 0.20 . 1 . . . . . . . . 6024 1 1226 . 1 1 257 257 ALA CB C 13 17.015 0.20 . 1 . . . . . . . . 6024 1 1227 . 1 1 257 257 ALA C C 13 180.347 0.20 . 1 . . . . . . . . 6024 1 1228 . 1 1 258 258 SER N N 15 114.148 0.15 . 1 . . . . . . . . 6024 1 1229 . 1 1 258 258 SER H H 1 7.615 0.02 . 1 . . . . . . . . 6024 1 1230 . 1 1 258 258 SER CA C 13 61.481 0.20 . 1 . . . . . . . . 6024 1 1231 . 1 1 258 258 SER CB C 13 62.121 0.20 . 1 . . . . . . . . 6024 1 1232 . 1 1 258 258 SER C C 13 175.891 0.20 . 1 . . . . . . . . 6024 1 1233 . 1 1 259 259 LEU N N 15 123.539 0.15 . 1 . . . . . . . . 6024 1 1234 . 1 1 259 259 LEU H H 1 8.267 0.02 . 1 . . . . . . . . 6024 1 1235 . 1 1 259 259 LEU CA C 13 57.712 0.20 . 1 . . . . . . . . 6024 1 1236 . 1 1 259 259 LEU CB C 13 39.817 0.20 . 1 . . . . . . . . 6024 1 1237 . 1 1 259 259 LEU C C 13 178.871 0.20 . 1 . . . . . . . . 6024 1 1238 . 1 1 260 260 ILE N N 15 118.032 0.15 . 1 . . . . . . . . 6024 1 1239 . 1 1 260 260 ILE H H 1 7.901 0.02 . 1 . . . . . . . . 6024 1 1240 . 1 1 260 260 ILE CA C 13 63.186 0.20 . 1 . . . . . . . . 6024 1 1241 . 1 1 260 260 ILE CB C 13 36.285 0.20 . 1 . . . . . . . . 6024 1 1242 . 1 1 260 260 ILE C C 13 178.666 0.20 . 1 . . . . . . . . 6024 1 1243 . 1 1 261 261 LYS N N 15 121.200 0.15 . 1 . . . . . . . . 6024 1 1244 . 1 1 261 261 LYS H H 1 8.045 0.02 . 1 . . . . . . . . 6024 1 1245 . 1 1 261 261 LYS CA C 13 58.536 0.20 . 1 . . . . . . . . 6024 1 1246 . 1 1 261 261 LYS CB C 13 31.434 0.20 . 1 . . . . . . . . 6024 1 1247 . 1 1 261 261 LYS C C 13 178.287 0.20 . 1 . . . . . . . . 6024 1 1248 . 1 1 262 262 HIS N N 15 114.467 0.15 . 1 . . . . . . . . 6024 1 1249 . 1 1 262 262 HIS H H 1 7.671 0.02 . 1 . . . . . . . . 6024 1 1250 . 1 1 262 262 HIS CA C 13 54.870 0.20 . 1 . . . . . . . . 6024 1 1251 . 1 1 262 262 HIS CB C 13 27.632 0.20 . 1 . . . . . . . . 6024 1 1252 . 1 1 262 262 HIS C C 13 173.837 0.20 . 1 . . . . . . . . 6024 1 1253 . 1 1 263 263 TRP N N 15 128.641 0.15 . 1 . . . . . . . . 6024 1 1254 . 1 1 263 263 TRP H H 1 7.290 0.02 . 1 . . . . . . . . 6024 1 1255 . 1 1 263 263 TRP CA C 13 61.933 0.20 . 1 . . . . . . . . 6024 1 1256 . 1 1 263 263 TRP CB C 13 29.662 0.20 . 1 . . . . . . . . 6024 1 1257 . 1 1 263 263 TRP C C 13 181.833 0.20 . 1 . . . . . . . . 6024 1 stop_ save_