data_6357 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6357 _Entry.Title ; Backbone Resonance Assignments of Wild-Type TEM-1 Beta-lactamase from E. coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-14 _Entry.Accession_date 2004-10-14 _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 backbone resonance assignments of Wild-Type TEM-1 Beta-lactamase follows the previous one of the mutant E28G. ; _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 Olivier Julien . . . 6357 2 Pierre-Yves Savard . . . 6357 3 Stephane Gagne . M. . 6357 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6357 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 248 6357 '13C chemical shifts' 727 6357 '15N chemical shifts' 248 6357 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-07-20 . update BMRB 'addition of relationship loop' 6357 2 . . 2004-11-01 . original author 'original release' 6357 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6024 'TEM-1 beta-lactamase, mutant E28G' 6357 BMRB 7236 'TEM-1 beta-lactamase, mutant Y105W' 6357 BMRB 7237 'TEM-1 beta-lactamase, mutant Y105G' 6357 BMRB 7238 'TEM-1 beta-lactamase, mutant Y105N' 6357 BMRB 7239 'TEM-1 beta-lactamase, mutant Y105D' 6357 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6357 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Backbone Resonance Assignments of Wild-Type TEM-1 Beta-lactamase from E. coli' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _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 Olivier Julien . . . 6357 1 2 Pierre-Yves Savard . . . 6357 1 3 Stephane Gagne . M. . 6357 1 stop_ save_ save_ref1 _Citation.Sf_category citations _Citation.Sf_framecode ref1 _Citation.Entry_ID 6357 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15213455 _Citation.Full_citation ; 1H, 13C and 15N backbone resonance assignments for TEM-1, a 28.9 kDa beta-lactamase from E. coli. J Biomol NMR. 2004 Jul;29(3):433-4. ; _Citation.Title '1H, 13C and 15N backbone resonance assignments for TEM-1, a 28.9 kDa beta-lactamase from E. coli.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 29 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 P. Y. . 6357 2 2 Alejandro Sosa-Peinado A. . . 6357 2 3 'Roger C' Levesque R. C. . 6357 2 4 'Marvin W' Makinen M. W. . 6357 2 5 'Stephane M' Gagne S. M. . 6357 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TEM-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TEM-1 _Assembly.Entry_ID 6357 _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 6357 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 . . . . . 6357 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 . . . . . . . . . . 6357 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)' 6357 1 yes PDB 1ERO . . . . . 'The molecule is in the free state (not in complex)' 6357 1 yes PDB 1ERM . . . . . 'The molecule is in the free state (not in complex)' 6357 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 6357 1 TEM-1 abbreviation 6357 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Hydrolase 6357 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TEM-1 _Entity.Sf_category entity _Entity.Sf_framecode TEM-1 _Entity.Entry_ID 6357 _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 ; HPETLVKVKDAEDQLGARVG 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 28907 _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 99.62 99.62 0.00e+00 . . . . 6357 1 2 no BMRB 6024 . "TEM-1 beta-lactamase" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6357 1 3 no BMRB 7236 . TEM-1_beta-lactamase . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 6357 1 4 no BMRB 7237 . TEM-1_beta-lactamase . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6357 1 5 no BMRB 7238 . TEM-1_beta-lactamase . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6357 1 6 no BMRB 7239 . TEM-1_beta-lactamase . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6357 1 7 no PDB 1AXB . "Tem-1 Beta-Lactamase From Escherichia Coli Inhibited With An Acylation Transition State Analog" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 6357 1 8 no PDB 1BT5 . "Crystal Structure Of The Imipenem Inhibited Tem-1 Beta-Lactamase From Escherichia Coli" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 6357 1 9 no PDB 1BTL . "Crystal Structure Of Escherichia Coli Tem1 Beta-Lactamase At 1.8 Angstroms Resolution" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 6357 1 10 no PDB 1CK3 . "N276d Mutant Of Escherichia Coli Tem-1 Beta-Lactamase" . . . . . 100.00 263 98.86 99.62 0.00e+00 . . . . 6357 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 99.62 99.62 0.00e+00 . . . . 6357 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-" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 6357 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" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 6357 1 14 no PDB 1ESU . "S235a Mutant Of Tem1 Beta-Lactamase" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 6357 1 15 no PDB 1FQG . "Molecular Structure Of The Acyl-Enzyme Intermediate In Tem- 1 Beta-Lactamase" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6357 1 16 no PDB 1HTZ . "Crystal Structure Of Tem52 Beta-Lactamase" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 6357 1 17 no PDB 1JTD . "Crystal Structure Of Beta-Lactamase Inhibitor Protein-Ii In Complex With Tem-1 Beta-Lactamase" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6357 1 18 no PDB 1JTG . "Crystal Structure Of Tem-1 Beta-lactamase / Beta-lactamase Inhibitor Protein Complex" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 6357 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 99.62 99.62 0.00e+00 . . . . 6357 1 20 no PDB 1JWP . "Structure Of M182t Mutant Of Tem-1 Beta-Lactamase" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6357 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 99.62 99.62 0.00e+00 . . . . 6357 1 22 no PDB 1JWZ . "Crystal Structure Of Tem-64 Beta-Lactamase In Complex With A Boronic Acid Inhibitor (105)" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 6357 1 23 no PDB 1LHY . "Crystal Structure Of Tem-30 Beta-lactamase At 2.0 Angstrom" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6357 1 24 no PDB 1LI0 . "Crystal Structure Of Tem-32 Beta-Lactamase At 1.6 Angstrom" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 6357 1 25 no PDB 1LI9 . "Crystal Structure Of Tem-34 Beta-lactamase At 1.5 Angstrom" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 6357 1 26 no PDB 1M40 . "Ultra High Resolution Crystal Structure Of Tem-1" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6357 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 99.62 99.62 0.00e+00 . . . . 6357 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 99.62 99.62 0.00e+00 . . . . 6357 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 99.62 99.62 0.00e+00 . . . . 6357 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 99.62 99.62 0.00e+00 . . . . 6357 1 31 no PDB 1PZO . "Tem-1 Beta-lactamase In Complex With A Novel, Core- Disrupting, Allosteric Inhibitor" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6357 1 32 no PDB 1PZP . "Tem-1 Beta-Lactamase In Complex With A Novel, Core- Disrupting, Allosteric Inhibitor" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6357 1 33 no PDB 1S0W . "1b Lactamse B LACTAMASE INHIBITOR" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 6357 1 34 no PDB 1TEM . "6 Alpha Hydroxymethyl Penicilloic Acid Acylated On The Tem- 1 Beta-Lactamase From Escherichia Coli" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 6357 1 35 no PDB 1XPB . "Structure Of Beta-Lactamase Tem1" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 6357 1 36 no PDB 1XXM . "The Modular Architecture Of Protein-Protein Binding Site" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 6357 1 37 no PDB 1YT4 . "Crystal Structure Of Tem-76 Beta-Lactamase At 1.4 Angstrom Resolution" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6357 1 38 no PDB 1ZG4 . "Tem1 Beta Lactamase" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6357 1 39 no PDB 1ZG6 . "Tem1 Beta Lactamase Mutant S70g" . . . . . 100.00 286 98.86 99.24 0.00e+00 . . . . 6357 1 40 no PDB 2B5R . "1b Lactamase B LACTAMASE INHIBITOR" . . . . . 100.00 263 98.86 99.24 0.00e+00 . . . . 6357 1 41 no PDB 3C7U . "Structural Insight Into The Kinetics And Cp Of Interactions Between Tem-1-Lactamase And Blip" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 6357 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 99.24 99.62 0.00e+00 . . . . 6357 1 43 no PDB 3CMZ . "Tem-1 Class-A Beta-Lactamase L201p Mutant Apo Structure" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 6357 1 44 no PDB 3GMW . "Crystal Structure Of Beta-Lactamse Inhibitory Protein-I (Blip-I) In Complex With Tem-1 Beta-Lactamase" . . . . . 99.24 261 99.62 99.62 0.00e+00 . . . . 6357 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 99.62 99.62 0.00e+00 . . . . 6357 1 46 no PDB 3P98 . "The Crystal Structure Of The Extended Spectrum Beta-Lactamase Tem-72 Reveals Inhibition By Citrate" . . . . . 100.00 286 98.48 99.24 0.00e+00 . . . . 6357 1 47 no PDB 4GKU . "Crystal Structure Of Beta Lactamase In Pet-15b" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 6357 1 48 no PDB 4IBX . "Crystal Structure Of Stabilized Tem-1 Beta-lactamase Variant V.13" . . . . . 100.00 263 97.34 97.34 0.00e+00 . . . . 6357 1 49 no PDB 4MEZ . "Crystal Structure Of M68l/m69t Double Mutant Tem-1" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 6357 1 50 no DBJ BAA00795 . "ampicillin resistance protein [Shuttle vector pHY320PLK]" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 6357 1 51 no DBJ BAA03488 . "beta-lactamase [Cloning vector pKF2]" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6357 1 52 no DBJ BAA12825 . "beta-lactamase [Cloning vector pBEN66]" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6357 1 53 no DBJ BAA14388 . "Ap resistance protein [synthetic construct]" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 6357 1 54 no DBJ BAA19239 . "beta-lactamase [Cloning vector pBEN77]" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6357 1 55 no EMBL CAA04868 . "beta-lactamase [Escherichia coli]" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6357 1 56 no EMBL CAA05682 . "beta-lactamase [synthetic construct]" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6357 1 57 no EMBL CAA05685 . "beta-lactamase [synthetic construct]" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6357 1 58 no EMBL CAA05686 . "beta-lactamase [synthetic construct]" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6357 1 59 no EMBL CAA05689 . "beta-lactamase [synthetic construct]" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6357 1 60 no GB AAA24057 . "beta-lactamase [Escherichia coli]" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6357 1 61 no GB AAA25053 . "TEM-26B beta-lactamase [Klebsiella oxytoca]" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 6357 1 62 no GB AAA32208 . "ampicillinase, partial [Enterobacteria phage f1]" . . . . . 76.81 225 100.00 100.00 4.71e-144 . . . . 6357 1 63 no GB AAA53119 . "beta-lactamase [unidentified cloning vector]" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6357 1 64 no GB AAA53121 . "beta-lactamase [unidentified cloning vector]" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6357 1 65 no PIR S60310 . "extended spectrum beta-lactamase CAZ-2 - Klebsiella pneumoniae" . . . . . 100.00 286 98.48 99.24 0.00e+00 . . . . 6357 1 66 no PIR S60312 . "extended spectrum beta-lactamase CAZ-7 - Klebsiella pneumoniae" . . . . . 100.00 286 98.86 99.62 0.00e+00 . . . . 6357 1 67 no PIR T51301 . "beta-lactamase (EC 3.5.2.6) - fission yeast (Schizosaccharomyces pombe)" . . . . . 100.00 286 99.24 99.62 0.00e+00 . . . . 6357 1 68 no PRF 2018199A . "beta lactamase IRT-4" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 6357 1 69 no REF NP_052173 . "beta-lactamase [Neisseria gonorrhoeae]" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 6357 1 70 no REF NP_569411 . "beta-lactamase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 6357 1 71 no REF NP_608310 . "TEM beta-lactamase [Klebsiella pneumoniae]" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 6357 1 72 no REF NP_758767 . "beta lactamase [Erwinia amylovora ATCC BAA-2158]" . . . . . 98.48 283 98.07 98.07 0.00e+00 . . . . 6357 1 73 no REF NP_775035 . "BlaTEM1 [Citrobacter freundii]" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 6357 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" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 6357 1 75 no SP P62594 . "RecName: Full=Beta-lactamase TEM; AltName: Full=Penicillinase; Flags: Precursor [Salmonella enterica subsp. enterica serovar Ty" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 6357 1 76 no SP Q48406 . "RecName: Full=Beta-lactamase TEM-12; Flags: Precursor [Klebsiella oxytoca]" . . . . . 100.00 286 99.62 99.62 0.00e+00 . . . . 6357 1 77 no TPE CAJ85677 . "TPA: beta lactamase [Birmingham IncP-alpha plasmid]" . . . . . 100.00 286 99.62 100.00 0.00e+00 . . . . 6357 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 6357 1 TEM-1 abbreviation 6357 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 . 6357 1 2 27 PRO . 6357 1 3 28 GLU . 6357 1 4 29 THR . 6357 1 5 30 LEU . 6357 1 6 31 VAL . 6357 1 7 32 LYS . 6357 1 8 33 VAL . 6357 1 9 34 LYS . 6357 1 10 35 ASP . 6357 1 11 36 ALA . 6357 1 12 37 GLU . 6357 1 13 38 ASP . 6357 1 14 39 GLN . 6357 1 15 40 LEU . 6357 1 16 41 GLY . 6357 1 17 42 ALA . 6357 1 18 43 ARG . 6357 1 19 44 VAL . 6357 1 20 45 GLY . 6357 1 21 46 TYR . 6357 1 22 47 ILE . 6357 1 23 48 GLU . 6357 1 24 49 LEU . 6357 1 25 50 ASP . 6357 1 26 51 LEU . 6357 1 27 52 ASN . 6357 1 28 53 SER . 6357 1 29 54 GLY . 6357 1 30 55 LYS . 6357 1 31 56 ILE . 6357 1 32 57 LEU . 6357 1 33 58 GLU . 6357 1 34 59 SER . 6357 1 35 60 PHE . 6357 1 36 61 ARG . 6357 1 37 62 PRO . 6357 1 38 63 GLU . 6357 1 39 64 GLU . 6357 1 40 65 ARG . 6357 1 41 66 PHE . 6357 1 42 67 PRO . 6357 1 43 68 MET . 6357 1 44 69 MET . 6357 1 45 70 SER . 6357 1 46 71 THR . 6357 1 47 72 PHE . 6357 1 48 73 LYS . 6357 1 49 74 VAL . 6357 1 50 75 LEU . 6357 1 51 76 LEU . 6357 1 52 77 CYS . 6357 1 53 78 GLY . 6357 1 54 79 ALA . 6357 1 55 80 VAL . 6357 1 56 81 LEU . 6357 1 57 82 SER . 6357 1 58 83 ARG . 6357 1 59 84 VAL . 6357 1 60 85 ASP . 6357 1 61 86 ALA . 6357 1 62 87 GLY . 6357 1 63 88 GLN . 6357 1 64 89 GLU . 6357 1 65 90 GLN . 6357 1 66 91 LEU . 6357 1 67 92 GLY . 6357 1 68 93 ARG . 6357 1 69 94 ARG . 6357 1 70 95 ILE . 6357 1 71 96 HIS . 6357 1 72 97 TYR . 6357 1 73 98 SER . 6357 1 74 99 GLN . 6357 1 75 100 ASN . 6357 1 76 101 ASP . 6357 1 77 102 LEU . 6357 1 78 103 VAL . 6357 1 79 104 GLU . 6357 1 80 105 TYR . 6357 1 81 106 SER . 6357 1 82 107 PRO . 6357 1 83 108 VAL . 6357 1 84 109 THR . 6357 1 85 110 GLU . 6357 1 86 111 LYS . 6357 1 87 112 HIS . 6357 1 88 113 LEU . 6357 1 89 114 THR . 6357 1 90 115 ASP . 6357 1 91 116 GLY . 6357 1 92 117 MET . 6357 1 93 118 THR . 6357 1 94 119 VAL . 6357 1 95 120 ARG . 6357 1 96 121 GLU . 6357 1 97 122 LEU . 6357 1 98 123 CYS . 6357 1 99 124 SER . 6357 1 100 125 ALA . 6357 1 101 126 ALA . 6357 1 102 127 ILE . 6357 1 103 128 THR . 6357 1 104 129 MET . 6357 1 105 130 SER . 6357 1 106 131 ASP . 6357 1 107 132 ASN . 6357 1 108 133 THR . 6357 1 109 134 ALA . 6357 1 110 135 ALA . 6357 1 111 136 ASN . 6357 1 112 137 LEU . 6357 1 113 138 LEU . 6357 1 114 139 LEU . 6357 1 115 140 THR . 6357 1 116 141 THR . 6357 1 117 142 ILE . 6357 1 118 143 GLY . 6357 1 119 144 GLY . 6357 1 120 145 PRO . 6357 1 121 146 LYS . 6357 1 122 147 GLU . 6357 1 123 148 LEU . 6357 1 124 149 THR . 6357 1 125 150 ALA . 6357 1 126 151 PHE . 6357 1 127 152 LEU . 6357 1 128 153 HIS . 6357 1 129 154 ASN . 6357 1 130 155 MET . 6357 1 131 156 GLY . 6357 1 132 157 ASP . 6357 1 133 158 HIS . 6357 1 134 159 VAL . 6357 1 135 160 THR . 6357 1 136 161 ARG . 6357 1 137 162 LEU . 6357 1 138 163 ASP . 6357 1 139 164 ARG . 6357 1 140 165 TRP . 6357 1 141 166 GLU . 6357 1 142 167 PRO . 6357 1 143 168 GLU . 6357 1 144 169 LEU . 6357 1 145 170 ASN . 6357 1 146 171 GLU . 6357 1 147 172 ALA . 6357 1 148 173 ILE . 6357 1 149 174 PRO . 6357 1 150 175 ASN . 6357 1 151 176 ASP . 6357 1 152 177 GLU . 6357 1 153 178 ARG . 6357 1 154 179 ASP . 6357 1 155 180 THR . 6357 1 156 181 THR . 6357 1 157 182 MET . 6357 1 158 183 PRO . 6357 1 159 184 ALA . 6357 1 160 185 ALA . 6357 1 161 186 MET . 6357 1 162 187 ALA . 6357 1 163 188 THR . 6357 1 164 189 THR . 6357 1 165 190 LEU . 6357 1 166 191 ARG . 6357 1 167 192 LYS . 6357 1 168 193 LEU . 6357 1 169 194 LEU . 6357 1 170 195 THR . 6357 1 171 196 GLY . 6357 1 172 197 GLU . 6357 1 173 198 LEU . 6357 1 174 199 LEU . 6357 1 175 200 THR . 6357 1 176 201 LEU . 6357 1 177 202 ALA . 6357 1 178 203 SER . 6357 1 179 204 ARG . 6357 1 180 205 GLN . 6357 1 181 206 GLN . 6357 1 182 207 LEU . 6357 1 183 208 ILE . 6357 1 184 209 ASP . 6357 1 185 210 TRP . 6357 1 186 211 MET . 6357 1 187 212 GLU . 6357 1 188 213 ALA . 6357 1 189 214 ASP . 6357 1 190 215 LYS . 6357 1 191 216 VAL . 6357 1 192 217 ALA . 6357 1 193 218 GLY . 6357 1 194 219 PRO . 6357 1 195 220 LEU . 6357 1 196 221 LEU . 6357 1 197 222 ARG . 6357 1 198 223 SER . 6357 1 199 224 ALA . 6357 1 200 225 LEU . 6357 1 201 226 PRO . 6357 1 202 227 ALA . 6357 1 203 228 GLY . 6357 1 204 229 TRP . 6357 1 205 230 PHE . 6357 1 206 231 ILE . 6357 1 207 232 ALA . 6357 1 208 233 ASP . 6357 1 209 234 LYS . 6357 1 210 235 SER . 6357 1 211 236 GLY . 6357 1 212 237 ALA . 6357 1 213 238 GLY . 6357 1 214 239 GLU . 6357 1 215 240 ARG . 6357 1 216 241 GLY . 6357 1 217 242 SER . 6357 1 218 243 ARG . 6357 1 219 244 GLY . 6357 1 220 245 ILE . 6357 1 221 246 ILE . 6357 1 222 247 ALA . 6357 1 223 248 ALA . 6357 1 224 249 LEU . 6357 1 225 250 GLY . 6357 1 226 251 PRO . 6357 1 227 252 ASP . 6357 1 228 253 GLY . 6357 1 229 254 LYS . 6357 1 230 255 PRO . 6357 1 231 256 SER . 6357 1 232 257 ARG . 6357 1 233 258 ILE . 6357 1 234 259 VAL . 6357 1 235 260 VAL . 6357 1 236 261 ILE . 6357 1 237 262 TYR . 6357 1 238 263 THR . 6357 1 239 264 THR . 6357 1 240 265 GLY . 6357 1 241 266 SER . 6357 1 242 267 GLN . 6357 1 243 268 ALA . 6357 1 244 269 THR . 6357 1 245 270 MET . 6357 1 246 271 ASP . 6357 1 247 272 GLU . 6357 1 248 273 ARG . 6357 1 249 274 ASN . 6357 1 250 275 ARG . 6357 1 251 276 GLN . 6357 1 252 277 ILE . 6357 1 253 278 ALA . 6357 1 254 279 GLU . 6357 1 255 280 ILE . 6357 1 256 281 GLY . 6357 1 257 282 ALA . 6357 1 258 283 SER . 6357 1 259 284 LEU . 6357 1 260 285 ILE . 6357 1 261 286 LYS . 6357 1 262 287 HIS . 6357 1 263 288 TRP . 6357 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 6357 1 . PRO 2 2 6357 1 . GLU 3 3 6357 1 . THR 4 4 6357 1 . LEU 5 5 6357 1 . VAL 6 6 6357 1 . LYS 7 7 6357 1 . VAL 8 8 6357 1 . LYS 9 9 6357 1 . ASP 10 10 6357 1 . ALA 11 11 6357 1 . GLU 12 12 6357 1 . ASP 13 13 6357 1 . GLN 14 14 6357 1 . LEU 15 15 6357 1 . GLY 16 16 6357 1 . ALA 17 17 6357 1 . ARG 18 18 6357 1 . VAL 19 19 6357 1 . GLY 20 20 6357 1 . TYR 21 21 6357 1 . ILE 22 22 6357 1 . GLU 23 23 6357 1 . LEU 24 24 6357 1 . ASP 25 25 6357 1 . LEU 26 26 6357 1 . ASN 27 27 6357 1 . SER 28 28 6357 1 . GLY 29 29 6357 1 . LYS 30 30 6357 1 . ILE 31 31 6357 1 . LEU 32 32 6357 1 . GLU 33 33 6357 1 . SER 34 34 6357 1 . PHE 35 35 6357 1 . ARG 36 36 6357 1 . PRO 37 37 6357 1 . GLU 38 38 6357 1 . GLU 39 39 6357 1 . ARG 40 40 6357 1 . PHE 41 41 6357 1 . PRO 42 42 6357 1 . MET 43 43 6357 1 . MET 44 44 6357 1 . SER 45 45 6357 1 . THR 46 46 6357 1 . PHE 47 47 6357 1 . LYS 48 48 6357 1 . VAL 49 49 6357 1 . LEU 50 50 6357 1 . LEU 51 51 6357 1 . CYS 52 52 6357 1 . GLY 53 53 6357 1 . ALA 54 54 6357 1 . VAL 55 55 6357 1 . LEU 56 56 6357 1 . SER 57 57 6357 1 . ARG 58 58 6357 1 . VAL 59 59 6357 1 . ASP 60 60 6357 1 . ALA 61 61 6357 1 . GLY 62 62 6357 1 . GLN 63 63 6357 1 . GLU 64 64 6357 1 . GLN 65 65 6357 1 . LEU 66 66 6357 1 . GLY 67 67 6357 1 . ARG 68 68 6357 1 . ARG 69 69 6357 1 . ILE 70 70 6357 1 . HIS 71 71 6357 1 . TYR 72 72 6357 1 . SER 73 73 6357 1 . GLN 74 74 6357 1 . ASN 75 75 6357 1 . ASP 76 76 6357 1 . LEU 77 77 6357 1 . VAL 78 78 6357 1 . GLU 79 79 6357 1 . TYR 80 80 6357 1 . SER 81 81 6357 1 . PRO 82 82 6357 1 . VAL 83 83 6357 1 . THR 84 84 6357 1 . GLU 85 85 6357 1 . LYS 86 86 6357 1 . HIS 87 87 6357 1 . LEU 88 88 6357 1 . THR 89 89 6357 1 . ASP 90 90 6357 1 . GLY 91 91 6357 1 . MET 92 92 6357 1 . THR 93 93 6357 1 . VAL 94 94 6357 1 . ARG 95 95 6357 1 . GLU 96 96 6357 1 . LEU 97 97 6357 1 . CYS 98 98 6357 1 . SER 99 99 6357 1 . ALA 100 100 6357 1 . ALA 101 101 6357 1 . ILE 102 102 6357 1 . THR 103 103 6357 1 . MET 104 104 6357 1 . SER 105 105 6357 1 . ASP 106 106 6357 1 . ASN 107 107 6357 1 . THR 108 108 6357 1 . ALA 109 109 6357 1 . ALA 110 110 6357 1 . ASN 111 111 6357 1 . LEU 112 112 6357 1 . LEU 113 113 6357 1 . LEU 114 114 6357 1 . THR 115 115 6357 1 . THR 116 116 6357 1 . ILE 117 117 6357 1 . GLY 118 118 6357 1 . GLY 119 119 6357 1 . PRO 120 120 6357 1 . LYS 121 121 6357 1 . GLU 122 122 6357 1 . LEU 123 123 6357 1 . THR 124 124 6357 1 . ALA 125 125 6357 1 . PHE 126 126 6357 1 . LEU 127 127 6357 1 . HIS 128 128 6357 1 . ASN 129 129 6357 1 . MET 130 130 6357 1 . GLY 131 131 6357 1 . ASP 132 132 6357 1 . HIS 133 133 6357 1 . VAL 134 134 6357 1 . THR 135 135 6357 1 . ARG 136 136 6357 1 . LEU 137 137 6357 1 . ASP 138 138 6357 1 . ARG 139 139 6357 1 . TRP 140 140 6357 1 . GLU 141 141 6357 1 . PRO 142 142 6357 1 . GLU 143 143 6357 1 . LEU 144 144 6357 1 . ASN 145 145 6357 1 . GLU 146 146 6357 1 . ALA 147 147 6357 1 . ILE 148 148 6357 1 . PRO 149 149 6357 1 . ASN 150 150 6357 1 . ASP 151 151 6357 1 . GLU 152 152 6357 1 . ARG 153 153 6357 1 . ASP 154 154 6357 1 . THR 155 155 6357 1 . THR 156 156 6357 1 . MET 157 157 6357 1 . PRO 158 158 6357 1 . ALA 159 159 6357 1 . ALA 160 160 6357 1 . MET 161 161 6357 1 . ALA 162 162 6357 1 . THR 163 163 6357 1 . THR 164 164 6357 1 . LEU 165 165 6357 1 . ARG 166 166 6357 1 . LYS 167 167 6357 1 . LEU 168 168 6357 1 . LEU 169 169 6357 1 . THR 170 170 6357 1 . GLY 171 171 6357 1 . GLU 172 172 6357 1 . LEU 173 173 6357 1 . LEU 174 174 6357 1 . THR 175 175 6357 1 . LEU 176 176 6357 1 . ALA 177 177 6357 1 . SER 178 178 6357 1 . ARG 179 179 6357 1 . GLN 180 180 6357 1 . GLN 181 181 6357 1 . LEU 182 182 6357 1 . ILE 183 183 6357 1 . ASP 184 184 6357 1 . TRP 185 185 6357 1 . MET 186 186 6357 1 . GLU 187 187 6357 1 . ALA 188 188 6357 1 . ASP 189 189 6357 1 . LYS 190 190 6357 1 . VAL 191 191 6357 1 . ALA 192 192 6357 1 . GLY 193 193 6357 1 . PRO 194 194 6357 1 . LEU 195 195 6357 1 . LEU 196 196 6357 1 . ARG 197 197 6357 1 . SER 198 198 6357 1 . ALA 199 199 6357 1 . LEU 200 200 6357 1 . PRO 201 201 6357 1 . ALA 202 202 6357 1 . GLY 203 203 6357 1 . TRP 204 204 6357 1 . PHE 205 205 6357 1 . ILE 206 206 6357 1 . ALA 207 207 6357 1 . ASP 208 208 6357 1 . LYS 209 209 6357 1 . SER 210 210 6357 1 . GLY 211 211 6357 1 . ALA 212 212 6357 1 . GLY 213 213 6357 1 . GLU 214 214 6357 1 . ARG 215 215 6357 1 . GLY 216 216 6357 1 . SER 217 217 6357 1 . ARG 218 218 6357 1 . GLY 219 219 6357 1 . ILE 220 220 6357 1 . ILE 221 221 6357 1 . ALA 222 222 6357 1 . ALA 223 223 6357 1 . LEU 224 224 6357 1 . GLY 225 225 6357 1 . PRO 226 226 6357 1 . ASP 227 227 6357 1 . GLY 228 228 6357 1 . LYS 229 229 6357 1 . PRO 230 230 6357 1 . SER 231 231 6357 1 . ARG 232 232 6357 1 . ILE 233 233 6357 1 . VAL 234 234 6357 1 . VAL 235 235 6357 1 . ILE 236 236 6357 1 . TYR 237 237 6357 1 . THR 238 238 6357 1 . THR 239 239 6357 1 . GLY 240 240 6357 1 . SER 241 241 6357 1 . GLN 242 242 6357 1 . ALA 243 243 6357 1 . THR 244 244 6357 1 . MET 245 245 6357 1 . ASP 246 246 6357 1 . GLU 247 247 6357 1 . ARG 248 248 6357 1 . ASN 249 249 6357 1 . ARG 250 250 6357 1 . GLN 251 251 6357 1 . ILE 252 252 6357 1 . ALA 253 253 6357 1 . GLU 254 254 6357 1 . ILE 255 255 6357 1 . GLY 256 256 6357 1 . ALA 257 257 6357 1 . SER 258 258 6357 1 . LEU 259 259 6357 1 . ILE 260 260 6357 1 . LYS 261 261 6357 1 . HIS 262 262 6357 1 . TRP 263 263 6357 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 6357 _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 . . . . 6357 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 6357 _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 . . . . . . 6357 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6357 _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% 13C; U-97.5% 15N]' . . 1 $TEM-1 . . 1.0 . . mM . . . . 6357 1 2 'sodium phosphate' . . . . . . . 25 . . mM . . . . 6357 1 3 Imidazole . . . . . . . 4.0 . . mM . . . . 6357 1 4 DSS . . . . . . . 0.1 . . mM . . . . 6357 1 5 'sodium azide' . . . . . . . 0.1 . . % . . . . 6357 1 6 D2O . . . . . . . 10 . . % . . . . 6357 1 7 H2O . . . . . . . 90 . . % . . . . 6357 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6357 _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% 15N]' . . 1 $TEM-1 . . 1.0 . . mM . . . . 6357 2 2 'sodium phosphate' . . . . . . . 25 . . mM . . . . 6357 2 3 Imidazole . . . . . . . 4.0 . . mM . . . . 6357 2 4 DSS . . . . . . . 0.1 . . mM . . . . 6357 2 5 'sodium azide' . . . . . . . 0.1 . . % . . . . 6357 2 6 D2O . . . . . . . 10 . . % . . . . 6357 2 7 H2O . . . . . . . 90 . . % . . . . 6357 2 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 6357 _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 6357 1 temperature 303 0.1 K 6357 1 'ionic strength' 0.05 . M 6357 1 stop_ save_ ############################ # Computer software used # ############################ save_Vnmr _Software.Sf_category software _Software.Sf_framecode Vnmr _Software.Entry_ID 6357 _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' 6357 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6357 _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' 6357 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6357 _Software.ID 3 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Sequential assignment' 6357 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6357 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6357 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 6357 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 6357 _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 experiment by adding 46.1Hz to the' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6357 1 2 '1H shifts and removing 46.1Hz to the 15N shifts.' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6357 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6357 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6357 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_1 _NMR_spec_expt.Entry_ID 6357 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_2 _NMR_spec_expt.Entry_ID 6357 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_1 _NMR_spec_expt.Entry_ID 6357 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_2 _NMR_spec_expt.Entry_ID 6357 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_1 _NMR_spec_expt.Entry_ID 6357 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_2 _NMR_spec_expt.Entry_ID 6357 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6357 _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 . . . . . . . . . 6357 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6357 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6357 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 6357 _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 ; Chemical shifts were corrected for the TROSY experiment by adding 46.1Hz to the 1H shifts and removing 46.1Hz to the 15N shifts. ; _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 experiment by adding 46.1Hz to the' . . . 6357 1 2 '1H shifts and removing 46.1Hz to the 15N shifts.' . . . 6357 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 65.520 0.2 . 1 . . . . . . . . 6357 1 2 . 1 1 2 2 PRO CB C 13 32.376 0.2 . 1 . . . . . . . . 6357 1 3 . 1 1 2 2 PRO C C 13 179.360 0.2 . 1 . . . . . . . . 6357 1 4 . 1 1 3 3 GLU N N 15 121.860 0.2 . 1 . . . . . . . . 6357 1 5 . 1 1 3 3 GLU H H 1 11.070 0.01 . 1 . . . . . . . . 6357 1 6 . 1 1 3 3 GLU CA C 13 59.711 0.2 . 1 . . . . . . . . 6357 1 7 . 1 1 3 3 GLU CB C 13 28.656 0.2 . 1 . . . . . . . . 6357 1 8 . 1 1 3 3 GLU C C 13 179.554 0.2 . 1 . . . . . . . . 6357 1 9 . 1 1 4 4 THR N N 15 119.042 0.2 . 1 . . . . . . . . 6357 1 10 . 1 1 4 4 THR H H 1 7.800 0.01 . 1 . . . . . . . . 6357 1 11 . 1 1 4 4 THR CA C 13 65.108 0.2 . 1 . . . . . . . . 6357 1 12 . 1 1 4 4 THR CB C 13 67.677 0.2 . 1 . . . . . . . . 6357 1 13 . 1 1 4 4 THR C C 13 176.056 0.2 . 1 . . . . . . . . 6357 1 14 . 1 1 5 5 LEU N N 15 120.333 0.2 . 1 . . . . . . . . 6357 1 15 . 1 1 5 5 LEU H H 1 7.044 0.01 . 1 . . . . . . . . 6357 1 16 . 1 1 5 5 LEU CA C 13 57.552 0.2 . 1 . . . . . . . . 6357 1 17 . 1 1 5 5 LEU CB C 13 40.847 0.2 . 1 . . . . . . . . 6357 1 18 . 1 1 5 5 LEU C C 13 179.016 0.2 . 1 . . . . . . . . 6357 1 19 . 1 1 6 6 VAL N N 15 119.907 0.2 . 1 . . . . . . . . 6357 1 20 . 1 1 6 6 VAL H H 1 7.509 0.01 . 1 . . . . . . . . 6357 1 21 . 1 1 6 6 VAL CA C 13 66.815 0.2 . 1 . . . . . . . . 6357 1 22 . 1 1 6 6 VAL CB C 13 31.256 0.2 . 1 . . . . . . . . 6357 1 23 . 1 1 6 6 VAL C C 13 178.416 0.2 . 1 . . . . . . . . 6357 1 24 . 1 1 7 7 LYS N N 15 119.576 0.2 . 1 . . . . . . . . 6357 1 25 . 1 1 7 7 LYS H H 1 7.297 0.01 . 1 . . . . . . . . 6357 1 26 . 1 1 7 7 LYS CA C 13 57.257 0.2 . 1 . . . . . . . . 6357 1 27 . 1 1 7 7 LYS CB C 13 30.325 0.2 . 1 . . . . . . . . 6357 1 28 . 1 1 7 7 LYS C C 13 178.385 0.2 . 1 . . . . . . . . 6357 1 29 . 1 1 8 8 VAL N N 15 123.065 0.2 . 1 . . . . . . . . 6357 1 30 . 1 1 8 8 VAL H H 1 8.317 0.01 . 1 . . . . . . . . 6357 1 31 . 1 1 8 8 VAL CA C 13 67.138 0.2 . 1 . . . . . . . . 6357 1 32 . 1 1 8 8 VAL CB C 13 31.049 0.2 . 1 . . . . . . . . 6357 1 33 . 1 1 8 8 VAL C C 13 176.772 0.2 . 1 . . . . . . . . 6357 1 34 . 1 1 9 9 LYS N N 15 118.700 0.2 . 1 . . . . . . . . 6357 1 35 . 1 1 9 9 LYS H H 1 7.701 0.01 . 1 . . . . . . . . 6357 1 36 . 1 1 9 9 LYS CA C 13 59.971 0.2 . 1 . . . . . . . . 6357 1 37 . 1 1 9 9 LYS CB C 13 31.909 0.2 . 1 . . . . . . . . 6357 1 38 . 1 1 9 9 LYS C C 13 179.309 0.2 . 1 . . . . . . . . 6357 1 39 . 1 1 10 10 ASP N N 15 120.620 0.2 . 1 . . . . . . . . 6357 1 40 . 1 1 10 10 ASP H H 1 8.334 0.01 . 1 . . . . . . . . 6357 1 41 . 1 1 10 10 ASP CA C 13 57.511 0.2 . 1 . . . . . . . . 6357 1 42 . 1 1 10 10 ASP CB C 13 41.932 0.2 . 1 . . . . . . . . 6357 1 43 . 1 1 10 10 ASP C C 13 178.127 0.2 . 1 . . . . . . . . 6357 1 44 . 1 1 11 11 ALA N N 15 122.342 0.2 . 1 . . . . . . . . 6357 1 45 . 1 1 11 11 ALA H H 1 8.529 0.01 . 1 . . . . . . . . 6357 1 46 . 1 1 11 11 ALA CA C 13 55.512 0.2 . 1 . . . . . . . . 6357 1 47 . 1 1 11 11 ALA CB C 13 18.322 0.2 . 1 . . . . . . . . 6357 1 48 . 1 1 11 11 ALA C C 13 179.571 0.2 . 1 . . . . . . . . 6357 1 49 . 1 1 12 12 GLU N N 15 117.822 0.2 . 1 . . . . . . . . 6357 1 50 . 1 1 12 12 GLU H H 1 7.960 0.01 . 1 . . . . . . . . 6357 1 51 . 1 1 12 12 GLU CA C 13 61.104 0.2 . 1 . . . . . . . . 6357 1 52 . 1 1 12 12 GLU CB C 13 29.255 0.2 . 1 . . . . . . . . 6357 1 53 . 1 1 12 12 GLU C C 13 180.467 0.2 . 1 . . . . . . . . 6357 1 54 . 1 1 13 13 ASP N N 15 120.089 0.2 . 1 . . . . . . . . 6357 1 55 . 1 1 13 13 ASP H H 1 7.934 0.01 . 1 . . . . . . . . 6357 1 56 . 1 1 13 13 ASP CA C 13 57.341 0.2 . 1 . . . . . . . . 6357 1 57 . 1 1 13 13 ASP CB C 13 40.910 0.2 . 1 . . . . . . . . 6357 1 58 . 1 1 13 13 ASP C C 13 179.149 0.2 . 1 . . . . . . . . 6357 1 59 . 1 1 14 14 GLN N N 15 118.632 0.2 . 1 . . . . . . . . 6357 1 60 . 1 1 14 14 GLN H H 1 8.873 0.01 . 1 . . . . . . . . 6357 1 61 . 1 1 14 14 GLN CA C 13 58.631 0.2 . 1 . . . . . . . . 6357 1 62 . 1 1 14 14 GLN CB C 13 28.588 0.2 . 1 . . . . . . . . 6357 1 63 . 1 1 14 14 GLN C C 13 179.168 0.2 . 1 . . . . . . . . 6357 1 64 . 1 1 15 15 LEU N N 15 114.476 0.2 . 1 . . . . . . . . 6357 1 65 . 1 1 15 15 LEU H H 1 8.750 0.01 . 1 . . . . . . . . 6357 1 66 . 1 1 15 15 LEU CA C 13 54.960 0.2 . 1 . . . . . . . . 6357 1 67 . 1 1 15 15 LEU CB C 13 42.792 0.2 . 1 . . . . . . . . 6357 1 68 . 1 1 15 15 LEU C C 13 178.973 0.2 . 1 . . . . . . . . 6357 1 69 . 1 1 16 16 GLY N N 15 113.119 0.2 . 1 . . . . . . . . 6357 1 70 . 1 1 16 16 GLY H H 1 8.103 0.01 . 1 . . . . . . . . 6357 1 71 . 1 1 16 16 GLY CA C 13 47.395 0.2 . 1 . . . . . . . . 6357 1 72 . 1 1 16 16 GLY C C 13 174.002 0.2 . 1 . . . . . . . . 6357 1 73 . 1 1 17 17 ALA N N 15 119.694 0.2 . 1 . . . . . . . . 6357 1 74 . 1 1 17 17 ALA H H 1 7.749 0.01 . 1 . . . . . . . . 6357 1 75 . 1 1 17 17 ALA CA C 13 50.954 0.2 . 1 . . . . . . . . 6357 1 76 . 1 1 17 17 ALA CB C 13 24.111 0.2 . 1 . . . . . . . . 6357 1 77 . 1 1 17 17 ALA C C 13 174.858 0.2 . 1 . . . . . . . . 6357 1 78 . 1 1 18 18 ARG N N 15 115.571 0.2 . 1 . . . . . . . . 6357 1 79 . 1 1 18 18 ARG H H 1 7.640 0.01 . 1 . . . . . . . . 6357 1 80 . 1 1 18 18 ARG CA C 13 55.899 0.2 . 1 . . . . . . . . 6357 1 81 . 1 1 18 18 ARG CB C 13 33.335 0.2 . 1 . . . . . . . . 6357 1 82 . 1 1 18 18 ARG C C 13 177.711 0.2 . 1 . . . . . . . . 6357 1 83 . 1 1 19 19 VAL N N 15 128.576 0.2 . 1 . . . . . . . . 6357 1 84 . 1 1 19 19 VAL H H 1 10.663 0.01 . 1 . . . . . . . . 6357 1 85 . 1 1 19 19 VAL CA C 13 61.416 0.2 . 1 . . . . . . . . 6357 1 86 . 1 1 19 19 VAL CB C 13 34.188 0.2 . 1 . . . . . . . . 6357 1 87 . 1 1 19 19 VAL C C 13 172.685 0.2 . 1 . . . . . . . . 6357 1 88 . 1 1 20 20 GLY N N 15 111.392 0.2 . 1 . . . . . . . . 6357 1 89 . 1 1 20 20 GLY H H 1 8.889 0.01 . 1 . . . . . . . . 6357 1 90 . 1 1 20 20 GLY CA C 13 44.049 0.2 . 1 . . . . . . . . 6357 1 91 . 1 1 20 20 GLY C C 13 172.483 0.2 . 1 . . . . . . . . 6357 1 92 . 1 1 21 21 TYR N N 15 124.210 0.2 . 1 . . . . . . . . 6357 1 93 . 1 1 21 21 TYR H H 1 9.429 0.01 . 1 . . . . . . . . 6357 1 94 . 1 1 21 21 TYR CA C 13 57.090 0.2 . 1 . . . . . . . . 6357 1 95 . 1 1 21 21 TYR CB C 13 45.207 0.2 . 1 . . . . . . . . 6357 1 96 . 1 1 21 21 TYR C C 13 174.030 0.2 . 1 . . . . . . . . 6357 1 97 . 1 1 22 22 ILE N N 15 125.578 0.2 . 1 . . . . . . . . 6357 1 98 . 1 1 22 22 ILE H H 1 8.049 0.01 . 1 . . . . . . . . 6357 1 99 . 1 1 22 22 ILE CA C 13 59.384 0.2 . 1 . . . . . . . . 6357 1 100 . 1 1 22 22 ILE CB C 13 41.962 0.2 . 1 . . . . . . . . 6357 1 101 . 1 1 22 22 ILE C C 13 171.466 0.2 . 1 . . . . . . . . 6357 1 102 . 1 1 23 23 GLU N N 15 123.602 0.2 . 1 . . . . . . . . 6357 1 103 . 1 1 23 23 GLU H H 1 7.821 0.01 . 1 . . . . . . . . 6357 1 104 . 1 1 23 23 GLU CA C 13 54.464 0.2 . 1 . . . . . . . . 6357 1 105 . 1 1 23 23 GLU CB C 13 34.640 0.2 . 1 . . . . . . . . 6357 1 106 . 1 1 23 23 GLU C C 13 175.004 0.2 . 1 . . . . . . . . 6357 1 107 . 1 1 24 24 LEU N N 15 126.956 0.2 . 1 . . . . . . . . 6357 1 108 . 1 1 24 24 LEU H H 1 9.705 0.01 . 1 . . . . . . . . 6357 1 109 . 1 1 24 24 LEU CA C 13 53.345 0.2 . 1 . . . . . . . . 6357 1 110 . 1 1 24 24 LEU CB C 13 47.189 0.2 . 1 . . . . . . . . 6357 1 111 . 1 1 24 24 LEU C C 13 175.622 0.2 . 1 . . . . . . . . 6357 1 112 . 1 1 25 25 ASP N N 15 126.780 0.2 . 1 . . . . . . . . 6357 1 113 . 1 1 25 25 ASP H H 1 9.058 0.01 . 1 . . . . . . . . 6357 1 114 . 1 1 25 25 ASP CA C 13 55.645 0.2 . 1 . . . . . . . . 6357 1 115 . 1 1 25 25 ASP CB C 13 43.160 0.2 . 1 . . . . . . . . 6357 1 116 . 1 1 25 25 ASP C C 13 176.783 0.2 . 1 . . . . . . . . 6357 1 117 . 1 1 26 26 LEU N N 15 129.015 0.2 . 1 . . . . . . . . 6357 1 118 . 1 1 26 26 LEU H H 1 8.244 0.01 . 1 . . . . . . . . 6357 1 119 . 1 1 26 26 LEU CA C 13 58.790 0.2 . 1 . . . . . . . . 6357 1 120 . 1 1 26 26 LEU CB C 13 43.222 0.2 . 1 . . . . . . . . 6357 1 121 . 1 1 26 26 LEU C C 13 177.563 0.2 . 1 . . . . . . . . 6357 1 122 . 1 1 27 27 ASN N N 15 116.717 0.2 . 1 . . . . . . . . 6357 1 123 . 1 1 27 27 ASN H H 1 8.695 0.01 . 1 . . . . . . . . 6357 1 124 . 1 1 27 27 ASN CA C 13 56.420 0.2 . 1 . . . . . . . . 6357 1 125 . 1 1 27 27 ASN CB C 13 38.778 0.2 . 1 . . . . . . . . 6357 1 126 . 1 1 27 27 ASN C C 13 176.977 0.2 . 1 . . . . . . . . 6357 1 127 . 1 1 28 28 SER N N 15 112.986 0.2 . 1 . . . . . . . . 6357 1 128 . 1 1 28 28 SER H H 1 8.566 0.01 . 1 . . . . . . . . 6357 1 129 . 1 1 28 28 SER CA C 13 59.100 0.2 . 1 . . . . . . . . 6357 1 130 . 1 1 28 28 SER CB C 13 65.800 0.2 . 1 . . . . . . . . 6357 1 131 . 1 1 28 28 SER C C 13 176.503 0.2 . 1 . . . . . . . . 6357 1 132 . 1 1 29 29 GLY N N 15 112.350 0.2 . 1 . . . . . . . . 6357 1 133 . 1 1 29 29 GLY H H 1 8.001 0.01 . 1 . . . . . . . . 6357 1 134 . 1 1 29 29 GLY CA C 13 45.709 0.2 . 1 . . . . . . . . 6357 1 135 . 1 1 29 29 GLY C C 13 172.352 0.2 . 1 . . . . . . . . 6357 1 136 . 1 1 30 30 LYS N N 15 119.520 0.2 . 1 . . . . . . . . 6357 1 137 . 1 1 30 30 LYS H H 1 7.689 0.01 . 1 . . . . . . . . 6357 1 138 . 1 1 30 30 LYS CA C 13 56.665 0.2 . 1 . . . . . . . . 6357 1 139 . 1 1 30 30 LYS CB C 13 33.708 0.2 . 1 . . . . . . . . 6357 1 140 . 1 1 30 30 LYS C C 13 176.113 0.2 . 1 . . . . . . . . 6357 1 141 . 1 1 31 31 ILE N N 15 125.021 0.2 . 1 . . . . . . . . 6357 1 142 . 1 1 31 31 ILE H H 1 8.676 0.01 . 1 . . . . . . . . 6357 1 143 . 1 1 31 31 ILE CA C 13 62.660 0.2 . 1 . . . . . . . . 6357 1 144 . 1 1 31 31 ILE CB C 13 37.737 0.2 . 1 . . . . . . . . 6357 1 145 . 1 1 31 31 ILE C C 13 176.122 0.2 . 1 . . . . . . . . 6357 1 146 . 1 1 32 32 LEU N N 15 130.506 0.2 . 1 . . . . . . . . 6357 1 147 . 1 1 32 32 LEU H H 1 8.943 0.01 . 1 . . . . . . . . 6357 1 148 . 1 1 32 32 LEU CA C 13 55.905 0.2 . 1 . . . . . . . . 6357 1 149 . 1 1 32 32 LEU CB C 13 42.216 0.2 . 1 . . . . . . . . 6357 1 150 . 1 1 32 32 LEU C C 13 177.054 0.2 . 1 . . . . . . . . 6357 1 151 . 1 1 33 33 GLU N N 15 116.026 0.2 . 1 . . . . . . . . 6357 1 152 . 1 1 33 33 GLU H H 1 7.550 0.01 . 1 . . . . . . . . 6357 1 153 . 1 1 33 33 GLU CA C 13 55.108 0.2 . 1 . . . . . . . . 6357 1 154 . 1 1 33 33 GLU CB C 13 34.233 0.2 . 1 . . . . . . . . 6357 1 155 . 1 1 33 33 GLU C C 13 174.635 0.2 . 1 . . . . . . . . 6357 1 156 . 1 1 34 34 SER N N 15 115.669 0.2 . 1 . . . . . . . . 6357 1 157 . 1 1 34 34 SER H H 1 9.010 0.01 . 1 . . . . . . . . 6357 1 158 . 1 1 34 34 SER CA C 13 58.050 0.2 . 1 . . . . . . . . 6357 1 159 . 1 1 34 34 SER CB C 13 67.230 0.2 . 1 . . . . . . . . 6357 1 160 . 1 1 34 34 SER C C 13 171.997 0.2 . 1 . . . . . . . . 6357 1 161 . 1 1 35 35 PHE N N 15 122.514 0.2 . 1 . . . . . . . . 6357 1 162 . 1 1 35 35 PHE H H 1 9.553 0.01 . 1 . . . . . . . . 6357 1 163 . 1 1 35 35 PHE CA C 13 59.973 0.2 . 1 . . . . . . . . 6357 1 164 . 1 1 35 35 PHE CB C 13 43.873 0.2 . 1 . . . . . . . . 6357 1 165 . 1 1 35 35 PHE C C 13 173.281 0.2 . 1 . . . . . . . . 6357 1 166 . 1 1 36 36 ARG N N 15 121.911 0.2 . 1 . . . . . . . . 6357 1 167 . 1 1 36 36 ARG H H 1 8.767 0.01 . 1 . . . . . . . . 6357 1 168 . 1 1 36 36 ARG CA C 13 57.928 0.2 . 1 . . . . . . . . 6357 1 169 . 1 1 37 37 PRO CA C 13 65.284 0.2 . 1 . . . . . . . . 6357 1 170 . 1 1 37 37 PRO CB C 13 32.704 0.2 . 1 . . . . . . . . 6357 1 171 . 1 1 37 37 PRO C C 13 177.508 0.2 . 1 . . . . . . . . 6357 1 172 . 1 1 38 38 GLU N N 15 116.590 0.2 . 1 . . . . . . . . 6357 1 173 . 1 1 38 38 GLU H H 1 8.494 0.01 . 1 . . . . . . . . 6357 1 174 . 1 1 38 38 GLU CA C 13 55.037 0.2 . 1 . . . . . . . . 6357 1 175 . 1 1 38 38 GLU CB C 13 29.188 0.2 . 1 . . . . . . . . 6357 1 176 . 1 1 38 38 GLU C C 13 175.056 0.2 . 1 . . . . . . . . 6357 1 177 . 1 1 39 39 GLU N N 15 117.402 0.2 . 1 . . . . . . . . 6357 1 178 . 1 1 39 39 GLU H H 1 6.856 0.01 . 1 . . . . . . . . 6357 1 179 . 1 1 39 39 GLU CA C 13 55.081 0.2 . 1 . . . . . . . . 6357 1 180 . 1 1 39 39 GLU CB C 13 32.311 0.2 . 1 . . . . . . . . 6357 1 181 . 1 1 39 39 GLU C C 13 174.856 0.2 . 1 . . . . . . . . 6357 1 182 . 1 1 40 40 ARG N N 15 117.328 0.2 . 1 . . . . . . . . 6357 1 183 . 1 1 40 40 ARG H H 1 8.309 0.01 . 1 . . . . . . . . 6357 1 184 . 1 1 40 40 ARG CA C 13 55.980 0.2 . 1 . . . . . . . . 6357 1 185 . 1 1 40 40 ARG CB C 13 31.976 0.2 . 1 . . . . . . . . 6357 1 186 . 1 1 40 40 ARG C C 13 177.224 0.2 . 1 . . . . . . . . 6357 1 187 . 1 1 41 41 PHE N N 15 117.824 0.2 . 1 . . . . . . . . 6357 1 188 . 1 1 41 41 PHE H H 1 8.725 0.01 . 1 . . . . . . . . 6357 1 189 . 1 1 42 42 PRO CA C 13 62.751 0.2 . 1 . . . . . . . . 6357 1 190 . 1 1 42 42 PRO CB C 13 32.419 0.2 . 1 . . . . . . . . 6357 1 191 . 1 1 42 42 PRO C C 13 176.164 0.2 . 1 . . . . . . . . 6357 1 192 . 1 1 43 43 MET N N 15 119.285 0.2 . 1 . . . . . . . . 6357 1 193 . 1 1 43 43 MET H H 1 7.771 0.01 . 1 . . . . . . . . 6357 1 194 . 1 1 43 43 MET CA C 13 58.561 0.2 . 1 . . . . . . . . 6357 1 195 . 1 1 43 43 MET CB C 13 35.666 0.2 . 1 . . . . . . . . 6357 1 196 . 1 1 43 43 MET C C 13 179.775 0.2 . 1 . . . . . . . . 6357 1 197 . 1 1 44 44 MET N N 15 120.436 0.2 . 1 . . . . . . . . 6357 1 198 . 1 1 44 44 MET H H 1 10.523 0.01 . 1 . . . . . . . . 6357 1 199 . 1 1 44 44 MET CA C 13 56.498 0.2 . 1 . . . . . . . . 6357 1 200 . 1 1 45 45 SER C C 13 176.083 0.2 . 1 . . . . . . . . 6357 1 201 . 1 1 46 46 THR N N 15 112.165 0.2 . 1 . . . . . . . . 6357 1 202 . 1 1 46 46 THR H H 1 7.913 0.01 . 1 . . . . . . . . 6357 1 203 . 1 1 46 46 THR CA C 13 65.942 0.2 . 1 . . . . . . . . 6357 1 204 . 1 1 46 46 THR CB C 13 69.063 0.2 . 1 . . . . . . . . 6357 1 205 . 1 1 46 46 THR C C 13 175.260 0.2 . 1 . . . . . . . . 6357 1 206 . 1 1 47 47 PHE N N 15 116.989 0.2 . 1 . . . . . . . . 6357 1 207 . 1 1 47 47 PHE H H 1 7.728 0.01 . 1 . . . . . . . . 6357 1 208 . 1 1 47 47 PHE CA C 13 59.499 0.2 . 1 . . . . . . . . 6357 1 209 . 1 1 47 47 PHE CB C 13 39.428 0.2 . 1 . . . . . . . . 6357 1 210 . 1 1 47 47 PHE C C 13 176.560 0.2 . 1 . . . . . . . . 6357 1 211 . 1 1 48 48 LYS N N 15 122.341 0.2 . 1 . . . . . . . . 6357 1 212 . 1 1 48 48 LYS H H 1 7.430 0.01 . 1 . . . . . . . . 6357 1 213 . 1 1 48 48 LYS CA C 13 60.071 0.2 . 1 . . . . . . . . 6357 1 214 . 1 1 48 48 LYS CB C 13 31.925 0.2 . 1 . . . . . . . . 6357 1 215 . 1 1 48 48 LYS C C 13 177.367 0.2 . 1 . . . . . . . . 6357 1 216 . 1 1 49 49 VAL N N 15 115.686 0.2 . 1 . . . . . . . . 6357 1 217 . 1 1 49 49 VAL H H 1 6.614 0.01 . 1 . . . . . . . . 6357 1 218 . 1 1 49 49 VAL CA C 13 66.405 0.2 . 1 . . . . . . . . 6357 1 219 . 1 1 49 49 VAL CB C 13 32.726 0.2 . 1 . . . . . . . . 6357 1 220 . 1 1 49 49 VAL C C 13 175.972 0.2 . 1 . . . . . . . . 6357 1 221 . 1 1 50 50 LEU N N 15 117.863 0.2 . 1 . . . . . . . . 6357 1 222 . 1 1 50 50 LEU H H 1 6.647 0.01 . 1 . . . . . . . . 6357 1 223 . 1 1 50 50 LEU CA C 13 57.443 0.2 . 1 . . . . . . . . 6357 1 224 . 1 1 50 50 LEU CB C 13 40.690 0.2 . 1 . . . . . . . . 6357 1 225 . 1 1 50 50 LEU C C 13 178.033 0.2 . 1 . . . . . . . . 6357 1 226 . 1 1 51 51 LEU N N 15 116.882 0.2 . 1 . . . . . . . . 6357 1 227 . 1 1 51 51 LEU H H 1 8.016 0.01 . 1 . . . . . . . . 6357 1 228 . 1 1 51 51 LEU CA C 13 57.537 0.2 . 1 . . . . . . . . 6357 1 229 . 1 1 51 51 LEU CB C 13 42.550 0.2 . 1 . . . . . . . . 6357 1 230 . 1 1 51 51 LEU C C 13 177.204 0.2 . 1 . . . . . . . . 6357 1 231 . 1 1 52 52 CYS N N 15 113.915 0.2 . 1 . . . . . . . . 6357 1 232 . 1 1 52 52 CYS H H 1 7.457 0.01 . 1 . . . . . . . . 6357 1 233 . 1 1 52 52 CYS CA C 13 63.882 0.2 . 1 . . . . . . . . 6357 1 234 . 1 1 52 52 CYS CB C 13 44.972 0.2 . 1 . . . . . . . . 6357 1 235 . 1 1 52 52 CYS C C 13 175.623 0.2 . 1 . . . . . . . . 6357 1 236 . 1 1 53 53 GLY N N 15 111.103 0.2 . 1 . . . . . . . . 6357 1 237 . 1 1 53 53 GLY H H 1 8.373 0.01 . 1 . . . . . . . . 6357 1 238 . 1 1 53 53 GLY CA C 13 47.968 0.2 . 1 . . . . . . . . 6357 1 239 . 1 1 53 53 GLY C C 13 173.101 0.2 . 1 . . . . . . . . 6357 1 240 . 1 1 54 54 ALA N N 15 124.736 0.2 . 1 . . . . . . . . 6357 1 241 . 1 1 54 54 ALA H H 1 7.811 0.01 . 1 . . . . . . . . 6357 1 242 . 1 1 54 54 ALA CA C 13 55.173 0.2 . 1 . . . . . . . . 6357 1 243 . 1 1 54 54 ALA CB C 13 16.745 0.2 . 1 . . . . . . . . 6357 1 244 . 1 1 54 54 ALA C C 13 180.980 0.2 . 1 . . . . . . . . 6357 1 245 . 1 1 55 55 VAL N N 15 119.522 0.2 . 1 . . . . . . . . 6357 1 246 . 1 1 55 55 VAL H H 1 7.998 0.01 . 1 . . . . . . . . 6357 1 247 . 1 1 55 55 VAL CA C 13 66.782 0.2 . 1 . . . . . . . . 6357 1 248 . 1 1 55 55 VAL CB C 13 32.127 0.2 . 1 . . . . . . . . 6357 1 249 . 1 1 55 55 VAL C C 13 177.984 0.2 . 1 . . . . . . . . 6357 1 250 . 1 1 56 56 LEU N N 15 119.525 0.2 . 1 . . . . . . . . 6357 1 251 . 1 1 56 56 LEU H H 1 8.494 0.01 . 1 . . . . . . . . 6357 1 252 . 1 1 56 56 LEU CA C 13 57.998 0.2 . 1 . . . . . . . . 6357 1 253 . 1 1 56 56 LEU CB C 13 40.669 0.2 . 1 . . . . . . . . 6357 1 254 . 1 1 56 56 LEU C C 13 178.222 0.2 . 1 . . . . . . . . 6357 1 255 . 1 1 57 57 SER N N 15 115.830 0.2 . 1 . . . . . . . . 6357 1 256 . 1 1 57 57 SER H H 1 8.166 0.01 . 1 . . . . . . . . 6357 1 257 . 1 1 57 57 SER CA C 13 61.892 0.2 . 1 . . . . . . . . 6357 1 258 . 1 1 57 57 SER CB C 13 62.722 0.2 . 1 . . . . . . . . 6357 1 259 . 1 1 57 57 SER C C 13 177.980 0.2 . 1 . . . . . . . . 6357 1 260 . 1 1 58 58 ARG N N 15 122.065 0.2 . 1 . . . . . . . . 6357 1 261 . 1 1 58 58 ARG H H 1 7.495 0.01 . 1 . . . . . . . . 6357 1 262 . 1 1 58 58 ARG CA C 13 59.452 0.2 . 1 . . . . . . . . 6357 1 263 . 1 1 58 58 ARG CB C 13 30.351 0.2 . 1 . . . . . . . . 6357 1 264 . 1 1 58 58 ARG C C 13 179.385 0.2 . 1 . . . . . . . . 6357 1 265 . 1 1 59 59 VAL N N 15 124.460 0.2 . 1 . . . . . . . . 6357 1 266 . 1 1 59 59 VAL H H 1 8.302 0.01 . 1 . . . . . . . . 6357 1 267 . 1 1 59 59 VAL CA C 13 65.120 0.2 . 1 . . . . . . . . 6357 1 268 . 1 1 59 59 VAL CB C 13 31.036 0.2 . 1 . . . . . . . . 6357 1 269 . 1 1 59 59 VAL C C 13 180.835 0.2 . 1 . . . . . . . . 6357 1 270 . 1 1 60 60 ASP N N 15 123.534 0.2 . 1 . . . . . . . . 6357 1 271 . 1 1 60 60 ASP H H 1 9.087 0.01 . 1 . . . . . . . . 6357 1 272 . 1 1 60 60 ASP CA C 13 57.367 0.2 . 1 . . . . . . . . 6357 1 273 . 1 1 60 60 ASP CB C 13 40.923 0.2 . 1 . . . . . . . . 6357 1 274 . 1 1 60 60 ASP C C 13 177.757 0.2 . 1 . . . . . . . . 6357 1 275 . 1 1 61 61 ALA N N 15 118.685 0.2 . 1 . . . . . . . . 6357 1 276 . 1 1 61 61 ALA H H 1 7.515 0.01 . 1 . . . . . . . . 6357 1 277 . 1 1 61 61 ALA CA C 13 52.454 0.2 . 1 . . . . . . . . 6357 1 278 . 1 1 61 61 ALA CB C 13 19.495 0.2 . 1 . . . . . . . . 6357 1 279 . 1 1 61 61 ALA C C 13 177.895 0.2 . 1 . . . . . . . . 6357 1 280 . 1 1 62 62 GLY N N 15 107.742 0.2 . 1 . . . . . . . . 6357 1 281 . 1 1 62 62 GLY H H 1 8.209 0.01 . 1 . . . . . . . . 6357 1 282 . 1 1 62 62 GLY CA C 13 45.822 0.2 . 1 . . . . . . . . 6357 1 283 . 1 1 62 62 GLY C C 13 174.929 0.2 . 1 . . . . . . . . 6357 1 284 . 1 1 63 63 GLN N N 15 117.371 0.2 . 1 . . . . . . . . 6357 1 285 . 1 1 63 63 GLN H H 1 8.396 0.01 . 1 . . . . . . . . 6357 1 286 . 1 1 63 63 GLN CA C 13 55.758 0.2 . 1 . . . . . . . . 6357 1 287 . 1 1 63 63 GLN CB C 13 30.201 0.2 . 1 . . . . . . . . 6357 1 288 . 1 1 63 63 GLN C C 13 173.504 0.2 . 1 . . . . . . . . 6357 1 289 . 1 1 64 64 GLU N N 15 118.181 0.2 . 1 . . . . . . . . 6357 1 290 . 1 1 64 64 GLU H H 1 7.360 0.01 . 1 . . . . . . . . 6357 1 291 . 1 1 64 64 GLU CA C 13 53.031 0.2 . 1 . . . . . . . . 6357 1 292 . 1 1 64 64 GLU CB C 13 33.868 0.2 . 1 . . . . . . . . 6357 1 293 . 1 1 64 64 GLU C C 13 172.691 0.2 . 1 . . . . . . . . 6357 1 294 . 1 1 65 65 GLN N N 15 125.281 0.2 . 1 . . . . . . . . 6357 1 295 . 1 1 65 65 GLN H H 1 10.071 0.01 . 1 . . . . . . . . 6357 1 296 . 1 1 65 65 GLN CA C 13 54.983 0.2 . 1 . . . . . . . . 6357 1 297 . 1 1 65 65 GLN CB C 13 31.483 0.2 . 1 . . . . . . . . 6357 1 298 . 1 1 65 65 GLN C C 13 176.035 0.2 . 1 . . . . . . . . 6357 1 299 . 1 1 66 66 LEU N N 15 123.178 0.2 . 1 . . . . . . . . 6357 1 300 . 1 1 66 66 LEU H H 1 9.070 0.01 . 1 . . . . . . . . 6357 1 301 . 1 1 66 66 LEU CA C 13 57.798 0.2 . 1 . . . . . . . . 6357 1 302 . 1 1 66 66 LEU CB C 13 41.587 0.2 . 1 . . . . . . . . 6357 1 303 . 1 1 66 66 LEU C C 13 177.346 0.2 . 1 . . . . . . . . 6357 1 304 . 1 1 67 67 GLY N N 15 102.157 0.2 . 1 . . . . . . . . 6357 1 305 . 1 1 67 67 GLY H H 1 8.399 0.01 . 1 . . . . . . . . 6357 1 306 . 1 1 67 67 GLY CA C 13 44.560 0.2 . 1 . . . . . . . . 6357 1 307 . 1 1 67 67 GLY C C 13 173.858 0.2 . 1 . . . . . . . . 6357 1 308 . 1 1 68 68 ARG N N 15 122.619 0.2 . 1 . . . . . . . . 6357 1 309 . 1 1 68 68 ARG H H 1 7.350 0.01 . 1 . . . . . . . . 6357 1 310 . 1 1 68 68 ARG CA C 13 58.117 0.2 . 1 . . . . . . . . 6357 1 311 . 1 1 68 68 ARG CB C 13 31.911 0.2 . 1 . . . . . . . . 6357 1 312 . 1 1 68 68 ARG C C 13 174.736 0.2 . 1 . . . . . . . . 6357 1 313 . 1 1 69 69 ARG N N 15 127.415 0.2 . 1 . . . . . . . . 6357 1 314 . 1 1 69 69 ARG H H 1 8.546 0.01 . 1 . . . . . . . . 6357 1 315 . 1 1 69 69 ARG CA C 13 56.656 0.2 . 1 . . . . . . . . 6357 1 316 . 1 1 69 69 ARG CB C 13 31.660 0.2 . 1 . . . . . . . . 6357 1 317 . 1 1 69 69 ARG C C 13 174.523 0.2 . 1 . . . . . . . . 6357 1 318 . 1 1 70 70 ILE N N 15 130.439 0.2 . 1 . . . . . . . . 6357 1 319 . 1 1 70 70 ILE H H 1 9.117 0.01 . 1 . . . . . . . . 6357 1 320 . 1 1 70 70 ILE CA C 13 60.459 0.2 . 1 . . . . . . . . 6357 1 321 . 1 1 70 70 ILE CB C 13 39.113 0.2 . 1 . . . . . . . . 6357 1 322 . 1 1 70 70 ILE C C 13 174.525 0.2 . 1 . . . . . . . . 6357 1 323 . 1 1 71 71 HIS N N 15 124.770 0.2 . 1 . . . . . . . . 6357 1 324 . 1 1 71 71 HIS H H 1 8.480 0.01 . 1 . . . . . . . . 6357 1 325 . 1 1 71 71 HIS CA C 13 55.511 0.2 . 1 . . . . . . . . 6357 1 326 . 1 1 71 71 HIS CB C 13 30.989 0.2 . 1 . . . . . . . . 6357 1 327 . 1 1 71 71 HIS C C 13 174.131 0.2 . 1 . . . . . . . . 6357 1 328 . 1 1 72 72 TYR N N 15 121.090 0.2 . 1 . . . . . . . . 6357 1 329 . 1 1 72 72 TYR H H 1 8.505 0.01 . 1 . . . . . . . . 6357 1 330 . 1 1 72 72 TYR CA C 13 56.109 0.2 . 1 . . . . . . . . 6357 1 331 . 1 1 72 72 TYR CB C 13 38.720 0.2 . 1 . . . . . . . . 6357 1 332 . 1 1 72 72 TYR C C 13 173.038 0.2 . 1 . . . . . . . . 6357 1 333 . 1 1 73 73 SER N N 15 114.770 0.2 . 1 . . . . . . . . 6357 1 334 . 1 1 73 73 SER H H 1 9.451 0.01 . 1 . . . . . . . . 6357 1 335 . 1 1 73 73 SER CA C 13 57.100 0.2 . 1 . . . . . . . . 6357 1 336 . 1 1 73 73 SER CB C 13 67.395 0.2 . 1 . . . . . . . . 6357 1 337 . 1 1 73 73 SER C C 13 175.662 0.2 . 1 . . . . . . . . 6357 1 338 . 1 1 74 74 GLN N N 15 122.062 0.2 . 1 . . . . . . . . 6357 1 339 . 1 1 74 74 GLN H H 1 9.086 0.01 . 1 . . . . . . . . 6357 1 340 . 1 1 74 74 GLN CA C 13 59.172 0.2 . 1 . . . . . . . . 6357 1 341 . 1 1 74 74 GLN CB C 13 28.239 0.2 . 1 . . . . . . . . 6357 1 342 . 1 1 74 74 GLN C C 13 177.989 0.2 . 1 . . . . . . . . 6357 1 343 . 1 1 75 75 ASN N N 15 115.299 0.2 . 1 . . . . . . . . 6357 1 344 . 1 1 75 75 ASN H H 1 8.215 0.01 . 1 . . . . . . . . 6357 1 345 . 1 1 75 75 ASN CA C 13 55.151 0.2 . 1 . . . . . . . . 6357 1 346 . 1 1 75 75 ASN CB C 13 38.190 0.2 . 1 . . . . . . . . 6357 1 347 . 1 1 75 75 ASN C C 13 175.588 0.2 . 1 . . . . . . . . 6357 1 348 . 1 1 76 76 ASP N N 15 116.726 0.2 . 1 . . . . . . . . 6357 1 349 . 1 1 76 76 ASP H H 1 7.891 0.01 . 1 . . . . . . . . 6357 1 350 . 1 1 76 76 ASP CA C 13 55.832 0.2 . 1 . . . . . . . . 6357 1 351 . 1 1 76 76 ASP CB C 13 42.627 0.2 . 1 . . . . . . . . 6357 1 352 . 1 1 76 76 ASP C C 13 175.505 0.2 . 1 . . . . . . . . 6357 1 353 . 1 1 77 77 LEU N N 15 116.810 0.2 . 1 . . . . . . . . 6357 1 354 . 1 1 77 77 LEU H H 1 7.121 0.01 . 1 . . . . . . . . 6357 1 355 . 1 1 77 77 LEU CA C 13 55.432 0.2 . 1 . . . . . . . . 6357 1 356 . 1 1 77 77 LEU CB C 13 41.889 0.2 . 1 . . . . . . . . 6357 1 357 . 1 1 77 77 LEU C C 13 178.020 0.2 . 1 . . . . . . . . 6357 1 358 . 1 1 78 78 VAL N N 15 117.333 0.2 . 1 . . . . . . . . 6357 1 359 . 1 1 78 78 VAL H H 1 7.755 0.01 . 1 . . . . . . . . 6357 1 360 . 1 1 78 78 VAL CA C 13 58.974 0.2 . 1 . . . . . . . . 6357 1 361 . 1 1 78 78 VAL CB C 13 34.499 0.2 . 1 . . . . . . . . 6357 1 362 . 1 1 78 78 VAL C C 13 176.588 0.2 . 1 . . . . . . . . 6357 1 363 . 1 1 79 79 GLU N N 15 123.413 0.2 . 1 . . . . . . . . 6357 1 364 . 1 1 79 79 GLU H H 1 8.570 0.01 . 1 . . . . . . . . 6357 1 365 . 1 1 79 79 GLU CA C 13 58.010 0.2 . 1 . . . . . . . . 6357 1 366 . 1 1 79 79 GLU CB C 13 30.193 0.2 . 1 . . . . . . . . 6357 1 367 . 1 1 79 79 GLU C C 13 174.919 0.2 . 1 . . . . . . . . 6357 1 368 . 1 1 80 80 TYR N N 15 121.280 0.2 . 1 . . . . . . . . 6357 1 369 . 1 1 80 80 TYR H H 1 8.696 0.01 . 1 . . . . . . . . 6357 1 370 . 1 1 80 80 TYR CA C 13 60.540 0.2 . 1 . . . . . . . . 6357 1 371 . 1 1 80 80 TYR CB C 13 36.092 0.2 . 1 . . . . . . . . 6357 1 372 . 1 1 80 80 TYR C C 13 172.124 0.2 . 1 . . . . . . . . 6357 1 373 . 1 1 81 81 SER N N 15 119.925 0.2 . 1 . . . . . . . . 6357 1 374 . 1 1 81 81 SER H H 1 8.366 0.01 . 1 . . . . . . . . 6357 1 375 . 1 1 81 81 SER CA C 13 55.797 0.2 . 1 . . . . . . . . 6357 1 376 . 1 1 82 82 PRO CA C 13 64.207 0.2 . 1 . . . . . . . . 6357 1 377 . 1 1 82 82 PRO CB C 13 31.954 0.2 . 1 . . . . . . . . 6357 1 378 . 1 1 82 82 PRO C C 13 177.759 0.2 . 1 . . . . . . . . 6357 1 379 . 1 1 83 83 VAL N N 15 118.449 0.2 . 1 . . . . . . . . 6357 1 380 . 1 1 83 83 VAL H H 1 8.673 0.01 . 1 . . . . . . . . 6357 1 381 . 1 1 83 83 VAL CA C 13 64.526 0.2 . 1 . . . . . . . . 6357 1 382 . 1 1 83 83 VAL CB C 13 33.347 0.2 . 1 . . . . . . . . 6357 1 383 . 1 1 83 83 VAL C C 13 179.093 0.2 . 1 . . . . . . . . 6357 1 384 . 1 1 84 84 THR N N 15 113.704 0.2 . 1 . . . . . . . . 6357 1 385 . 1 1 84 84 THR H H 1 9.643 0.01 . 1 . . . . . . . . 6357 1 386 . 1 1 84 84 THR CA C 13 63.991 0.2 . 1 . . . . . . . . 6357 1 387 . 1 1 84 84 THR CB C 13 69.390 0.2 . 1 . . . . . . . . 6357 1 388 . 1 1 84 84 THR C C 13 181.956 0.2 . 1 . . . . . . . . 6357 1 389 . 1 1 85 85 GLU N N 15 120.042 0.2 . 1 . . . . . . . . 6357 1 390 . 1 1 85 85 GLU H H 1 8.192 0.01 . 1 . . . . . . . . 6357 1 391 . 1 1 85 85 GLU CA C 13 58.912 0.2 . 1 . . . . . . . . 6357 1 392 . 1 1 85 85 GLU CB C 13 28.545 0.2 . 1 . . . . . . . . 6357 1 393 . 1 1 85 85 GLU C C 13 176.435 0.2 . 1 . . . . . . . . 6357 1 394 . 1 1 86 86 LYS N N 15 116.396 0.2 . 1 . . . . . . . . 6357 1 395 . 1 1 86 86 LYS H H 1 7.444 0.01 . 1 . . . . . . . . 6357 1 396 . 1 1 86 86 LYS CA C 13 56.011 0.2 . 1 . . . . . . . . 6357 1 397 . 1 1 86 86 LYS CB C 13 32.617 0.2 . 1 . . . . . . . . 6357 1 398 . 1 1 86 86 LYS C C 13 177.256 0.2 . 1 . . . . . . . . 6357 1 399 . 1 1 87 87 HIS N N 15 116.378 0.2 . 1 . . . . . . . . 6357 1 400 . 1 1 87 87 HIS H H 1 7.138 0.01 . 1 . . . . . . . . 6357 1 401 . 1 1 87 87 HIS CA C 13 55.352 0.2 . 1 . . . . . . . . 6357 1 402 . 1 1 87 87 HIS CB C 13 28.688 0.2 . 1 . . . . . . . . 6357 1 403 . 1 1 87 87 HIS C C 13 174.524 0.2 . 1 . . . . . . . . 6357 1 404 . 1 1 88 88 LEU N N 15 120.367 0.2 . 1 . . . . . . . . 6357 1 405 . 1 1 88 88 LEU H H 1 7.864 0.01 . 1 . . . . . . . . 6357 1 406 . 1 1 88 88 LEU CA C 13 58.255 0.2 . 1 . . . . . . . . 6357 1 407 . 1 1 88 88 LEU CB C 13 42.053 0.2 . 1 . . . . . . . . 6357 1 408 . 1 1 88 88 LEU C C 13 179.136 0.2 . 1 . . . . . . . . 6357 1 409 . 1 1 89 89 THR N N 15 109.487 0.2 . 1 . . . . . . . . 6357 1 410 . 1 1 89 89 THR H H 1 8.316 0.01 . 1 . . . . . . . . 6357 1 411 . 1 1 89 89 THR CA C 13 64.397 0.2 . 1 . . . . . . . . 6357 1 412 . 1 1 89 89 THR CB C 13 68.859 0.2 . 1 . . . . . . . . 6357 1 413 . 1 1 89 89 THR C C 13 175.616 0.2 . 1 . . . . . . . . 6357 1 414 . 1 1 90 90 ASP N N 15 117.295 0.2 . 1 . . . . . . . . 6357 1 415 . 1 1 90 90 ASP H H 1 8.818 0.01 . 1 . . . . . . . . 6357 1 416 . 1 1 90 90 ASP CA C 13 54.068 0.2 . 1 . . . . . . . . 6357 1 417 . 1 1 90 90 ASP CB C 13 40.434 0.2 . 1 . . . . . . . . 6357 1 418 . 1 1 90 90 ASP C C 13 177.664 0.2 . 1 . . . . . . . . 6357 1 419 . 1 1 91 91 GLY N N 15 110.884 0.2 . 1 . . . . . . . . 6357 1 420 . 1 1 91 91 GLY H H 1 7.907 0.01 . 1 . . . . . . . . 6357 1 421 . 1 1 91 91 GLY CA C 13 45.100 0.2 . 1 . . . . . . . . 6357 1 422 . 1 1 91 91 GLY C C 13 171.626 0.2 . 1 . . . . . . . . 6357 1 423 . 1 1 92 92 MET N N 15 113.520 0.2 . 1 . . . . . . . . 6357 1 424 . 1 1 92 92 MET H H 1 8.301 0.01 . 1 . . . . . . . . 6357 1 425 . 1 1 92 92 MET CA C 13 55.068 0.2 . 1 . . . . . . . . 6357 1 426 . 1 1 92 92 MET CB C 13 40.407 0.2 . 1 . . . . . . . . 6357 1 427 . 1 1 92 92 MET C C 13 175.125 0.2 . 1 . . . . . . . . 6357 1 428 . 1 1 93 93 THR N N 15 112.303 0.2 . 1 . . . . . . . . 6357 1 429 . 1 1 93 93 THR H H 1 8.926 0.01 . 1 . . . . . . . . 6357 1 430 . 1 1 93 93 THR CA C 13 60.220 0.2 . 1 . . . . . . . . 6357 1 431 . 1 1 93 93 THR CB C 13 71.074 0.2 . 1 . . . . . . . . 6357 1 432 . 1 1 93 93 THR C C 13 175.850 0.2 . 1 . . . . . . . . 6357 1 433 . 1 1 94 94 VAL N N 15 122.139 0.2 . 1 . . . . . . . . 6357 1 434 . 1 1 94 94 VAL H H 1 8.117 0.01 . 1 . . . . . . . . 6357 1 435 . 1 1 94 94 VAL CA C 13 67.988 0.2 . 1 . . . . . . . . 6357 1 436 . 1 1 94 94 VAL CB C 13 31.692 0.2 . 1 . . . . . . . . 6357 1 437 . 1 1 94 94 VAL C C 13 177.959 0.2 . 1 . . . . . . . . 6357 1 438 . 1 1 95 95 ARG N N 15 118.446 0.2 . 1 . . . . . . . . 6357 1 439 . 1 1 95 95 ARG H H 1 9.079 0.01 . 1 . . . . . . . . 6357 1 440 . 1 1 95 95 ARG CA C 13 60.244 0.2 . 1 . . . . . . . . 6357 1 441 . 1 1 95 95 ARG CB C 13 31.271 0.2 . 1 . . . . . . . . 6357 1 442 . 1 1 95 95 ARG C C 13 177.550 0.2 . 1 . . . . . . . . 6357 1 443 . 1 1 96 96 GLU N N 15 118.628 0.2 . 1 . . . . . . . . 6357 1 444 . 1 1 96 96 GLU H H 1 7.632 0.01 . 1 . . . . . . . . 6357 1 445 . 1 1 96 96 GLU CA C 13 58.497 0.2 . 1 . . . . . . . . 6357 1 446 . 1 1 96 96 GLU CB C 13 30.062 0.2 . 1 . . . . . . . . 6357 1 447 . 1 1 96 96 GLU C C 13 180.572 0.2 . 1 . . . . . . . . 6357 1 448 . 1 1 97 97 LEU N N 15 122.985 0.2 . 1 . . . . . . . . 6357 1 449 . 1 1 97 97 LEU H H 1 9.112 0.01 . 1 . . . . . . . . 6357 1 450 . 1 1 97 97 LEU CA C 13 58.122 0.2 . 1 . . . . . . . . 6357 1 451 . 1 1 97 97 LEU CB C 13 41.031 0.2 . 1 . . . . . . . . 6357 1 452 . 1 1 97 97 LEU C C 13 179.070 0.2 . 1 . . . . . . . . 6357 1 453 . 1 1 98 98 CYS N N 15 119.150 0.2 . 1 . . . . . . . . 6357 1 454 . 1 1 98 98 CYS H H 1 8.163 0.01 . 1 . . . . . . . . 6357 1 455 . 1 1 98 98 CYS CA C 13 62.340 0.2 . 1 . . . . . . . . 6357 1 456 . 1 1 98 98 CYS CB C 13 42.470 0.2 . 1 . . . . . . . . 6357 1 457 . 1 1 98 98 CYS C C 13 176.013 0.2 . 1 . . . . . . . . 6357 1 458 . 1 1 99 99 SER N N 15 113.414 0.2 . 1 . . . . . . . . 6357 1 459 . 1 1 99 99 SER H H 1 7.734 0.01 . 1 . . . . . . . . 6357 1 460 . 1 1 99 99 SER CA C 13 61.441 0.2 . 1 . . . . . . . . 6357 1 461 . 1 1 99 99 SER CB C 13 62.553 0.2 . 1 . . . . . . . . 6357 1 462 . 1 1 99 99 SER C C 13 179.042 0.2 . 1 . . . . . . . . 6357 1 463 . 1 1 100 100 ALA N N 15 124.775 0.2 . 1 . . . . . . . . 6357 1 464 . 1 1 100 100 ALA H H 1 8.517 0.01 . 1 . . . . . . . . 6357 1 465 . 1 1 100 100 ALA CA C 13 55.685 0.2 . 1 . . . . . . . . 6357 1 466 . 1 1 100 100 ALA CB C 13 17.546 0.2 . 1 . . . . . . . . 6357 1 467 . 1 1 100 100 ALA C C 13 180.246 0.2 . 1 . . . . . . . . 6357 1 468 . 1 1 101 101 ALA N N 15 121.017 0.2 . 1 . . . . . . . . 6357 1 469 . 1 1 101 101 ALA H H 1 8.675 0.01 . 1 . . . . . . . . 6357 1 470 . 1 1 101 101 ALA CA C 13 55.273 0.2 . 1 . . . . . . . . 6357 1 471 . 1 1 101 101 ALA CB C 13 17.553 0.2 . 1 . . . . . . . . 6357 1 472 . 1 1 101 101 ALA C C 13 178.464 0.2 . 1 . . . . . . . . 6357 1 473 . 1 1 102 102 ILE N N 15 113.757 0.2 . 1 . . . . . . . . 6357 1 474 . 1 1 102 102 ILE H H 1 8.231 0.01 . 1 . . . . . . . . 6357 1 475 . 1 1 102 102 ILE CA C 13 65.050 0.2 . 1 . . . . . . . . 6357 1 476 . 1 1 102 102 ILE C C 13 176.482 0.2 . 1 . . . . . . . . 6357 1 477 . 1 1 103 103 THR N N 15 109.590 0.2 . 1 . . . . . . . . 6357 1 478 . 1 1 103 103 THR H H 1 8.966 0.01 . 1 . . . . . . . . 6357 1 479 . 1 1 103 103 THR CA C 13 65.249 0.2 . 1 . . . . . . . . 6357 1 480 . 1 1 103 103 THR CB C 13 70.367 0.2 . 1 . . . . . . . . 6357 1 481 . 1 1 103 103 THR C C 13 175.943 0.2 . 1 . . . . . . . . 6357 1 482 . 1 1 104 104 MET N N 15 114.331 0.2 . 1 . . . . . . . . 6357 1 483 . 1 1 104 104 MET H H 1 6.733 0.01 . 1 . . . . . . . . 6357 1 484 . 1 1 104 104 MET CA C 13 53.150 0.2 . 1 . . . . . . . . 6357 1 485 . 1 1 104 104 MET CB C 13 33.521 0.2 . 1 . . . . . . . . 6357 1 486 . 1 1 104 104 MET C C 13 176.202 0.2 . 1 . . . . . . . . 6357 1 487 . 1 1 105 105 SER N N 15 115.196 0.2 . 1 . . . . . . . . 6357 1 488 . 1 1 105 105 SER H H 1 7.142 0.01 . 1 . . . . . . . . 6357 1 489 . 1 1 105 105 SER CA C 13 59.201 0.2 . 1 . . . . . . . . 6357 1 490 . 1 1 105 105 SER CB C 13 63.929 0.2 . 1 . . . . . . . . 6357 1 491 . 1 1 105 105 SER C C 13 174.125 0.2 . 1 . . . . . . . . 6357 1 492 . 1 1 106 106 ASP N N 15 120.726 0.2 . 1 . . . . . . . . 6357 1 493 . 1 1 106 106 ASP H H 1 7.365 0.01 . 1 . . . . . . . . 6357 1 494 . 1 1 106 106 ASP CA C 13 56.190 0.2 . 1 . . . . . . . . 6357 1 495 . 1 1 106 106 ASP CB C 13 44.319 0.2 . 1 . . . . . . . . 6357 1 496 . 1 1 106 106 ASP C C 13 176.528 0.2 . 1 . . . . . . . . 6357 1 497 . 1 1 107 107 ASN N N 15 127.327 0.2 . 1 . . . . . . . . 6357 1 498 . 1 1 107 107 ASN H H 1 8.807 0.01 . 1 . . . . . . . . 6357 1 499 . 1 1 107 107 ASN CA C 13 56.339 0.2 . 1 . . . . . . . . 6357 1 500 . 1 1 107 107 ASN CB C 13 38.980 0.2 . 1 . . . . . . . . 6357 1 501 . 1 1 107 107 ASN C C 13 178.079 0.2 . 1 . . . . . . . . 6357 1 502 . 1 1 108 108 THR N N 15 120.167 0.2 . 1 . . . . . . . . 6357 1 503 . 1 1 108 108 THR H H 1 7.668 0.01 . 1 . . . . . . . . 6357 1 504 . 1 1 108 108 THR CA C 13 68.144 0.2 . 1 . . . . . . . . 6357 1 505 . 1 1 108 108 THR CB C 13 67.218 0.2 . 1 . . . . . . . . 6357 1 506 . 1 1 108 108 THR C C 13 176.580 0.2 . 1 . . . . . . . . 6357 1 507 . 1 1 109 109 ALA N N 15 122.744 0.2 . 1 . . . . . . . . 6357 1 508 . 1 1 109 109 ALA H H 1 8.953 0.01 . 1 . . . . . . . . 6357 1 509 . 1 1 109 109 ALA CA C 13 55.364 0.2 . 1 . . . . . . . . 6357 1 510 . 1 1 109 109 ALA CB C 13 18.721 0.2 . 1 . . . . . . . . 6357 1 511 . 1 1 109 109 ALA C C 13 178.415 0.2 . 1 . . . . . . . . 6357 1 512 . 1 1 110 110 ALA N N 15 115.349 0.2 . 1 . . . . . . . . 6357 1 513 . 1 1 110 110 ALA H H 1 7.098 0.01 . 1 . . . . . . . . 6357 1 514 . 1 1 110 110 ALA CA C 13 54.852 0.2 . 1 . . . . . . . . 6357 1 515 . 1 1 110 110 ALA CB C 13 19.468 0.2 . 1 . . . . . . . . 6357 1 516 . 1 1 110 110 ALA C C 13 178.177 0.2 . 1 . . . . . . . . 6357 1 517 . 1 1 111 111 ASN N N 15 119.800 0.2 . 1 . . . . . . . . 6357 1 518 . 1 1 111 111 ASN H H 1 7.922 0.01 . 1 . . . . . . . . 6357 1 519 . 1 1 111 111 ASN CA C 13 56.297 0.2 . 1 . . . . . . . . 6357 1 520 . 1 1 111 111 ASN CB C 13 37.250 0.2 . 1 . . . . . . . . 6357 1 521 . 1 1 111 111 ASN C C 13 178.697 0.2 . 1 . . . . . . . . 6357 1 522 . 1 1 112 112 LEU N N 15 121.585 0.2 . 1 . . . . . . . . 6357 1 523 . 1 1 112 112 LEU H H 1 9.071 0.01 . 1 . . . . . . . . 6357 1 524 . 1 1 112 112 LEU CA C 13 58.258 0.2 . 1 . . . . . . . . 6357 1 525 . 1 1 112 112 LEU CB C 13 41.982 0.2 . 1 . . . . . . . . 6357 1 526 . 1 1 112 112 LEU C C 13 181.158 0.2 . 1 . . . . . . . . 6357 1 527 . 1 1 113 113 LEU N N 15 119.492 0.2 . 1 . . . . . . . . 6357 1 528 . 1 1 113 113 LEU H H 1 8.127 0.01 . 1 . . . . . . . . 6357 1 529 . 1 1 113 113 LEU CA C 13 57.539 0.2 . 1 . . . . . . . . 6357 1 530 . 1 1 113 113 LEU CB C 13 42.812 0.2 . 1 . . . . . . . . 6357 1 531 . 1 1 113 113 LEU C C 13 180.734 0.2 . 1 . . . . . . . . 6357 1 532 . 1 1 114 114 LEU N N 15 124.258 0.2 . 1 . . . . . . . . 6357 1 533 . 1 1 114 114 LEU H H 1 9.174 0.01 . 1 . . . . . . . . 6357 1 534 . 1 1 114 114 LEU CA C 13 57.978 0.2 . 1 . . . . . . . . 6357 1 535 . 1 1 114 114 LEU CB C 13 43.769 0.2 . 1 . . . . . . . . 6357 1 536 . 1 1 114 114 LEU C C 13 180.097 0.2 . 1 . . . . . . . . 6357 1 537 . 1 1 115 115 THR N N 15 118.038 0.2 . 1 . . . . . . . . 6357 1 538 . 1 1 115 115 THR H H 1 8.709 0.01 . 1 . . . . . . . . 6357 1 539 . 1 1 115 115 THR CA C 13 67.986 0.2 . 1 . . . . . . . . 6357 1 540 . 1 1 115 115 THR CB C 13 68.614 0.2 . 1 . . . . . . . . 6357 1 541 . 1 1 115 115 THR C C 13 177.777 0.2 . 1 . . . . . . . . 6357 1 542 . 1 1 116 116 THR N N 15 112.754 0.2 . 1 . . . . . . . . 6357 1 543 . 1 1 116 116 THR H H 1 7.628 0.01 . 1 . . . . . . . . 6357 1 544 . 1 1 116 116 THR CA C 13 65.353 0.2 . 1 . . . . . . . . 6357 1 545 . 1 1 116 116 THR CB C 13 68.864 0.2 . 1 . . . . . . . . 6357 1 546 . 1 1 116 116 THR C C 13 175.726 0.2 . 1 . . . . . . . . 6357 1 547 . 1 1 117 117 ILE N N 15 110.944 0.2 . 1 . . . . . . . . 6357 1 548 . 1 1 117 117 ILE H H 1 6.892 0.01 . 1 . . . . . . . . 6357 1 549 . 1 1 117 117 ILE CA C 13 61.075 0.2 . 1 . . . . . . . . 6357 1 550 . 1 1 117 117 ILE CB C 13 38.780 0.2 . 1 . . . . . . . . 6357 1 551 . 1 1 117 117 ILE C C 13 175.426 0.2 . 1 . . . . . . . . 6357 1 552 . 1 1 118 118 GLY N N 15 106.532 0.2 . 1 . . . . . . . . 6357 1 553 . 1 1 118 118 GLY H H 1 7.484 0.01 . 1 . . . . . . . . 6357 1 554 . 1 1 118 118 GLY CA C 13 45.045 0.2 . 1 . . . . . . . . 6357 1 555 . 1 1 118 118 GLY C C 13 175.141 0.2 . 1 . . . . . . . . 6357 1 556 . 1 1 119 119 GLY N N 15 108.294 0.2 . 1 . . . . . . . . 6357 1 557 . 1 1 119 119 GLY H H 1 8.201 0.01 . 1 . . . . . . . . 6357 1 558 . 1 1 120 120 PRO CA C 13 66.312 0.2 . 1 . . . . . . . . 6357 1 559 . 1 1 120 120 PRO CB C 13 31.989 0.2 . 1 . . . . . . . . 6357 1 560 . 1 1 120 120 PRO C C 13 177.854 0.2 . 1 . . . . . . . . 6357 1 561 . 1 1 121 121 LYS N N 15 116.162 0.2 . 1 . . . . . . . . 6357 1 562 . 1 1 121 121 LYS H H 1 8.675 0.01 . 1 . . . . . . . . 6357 1 563 . 1 1 121 121 LYS CA C 13 59.526 0.2 . 1 . . . . . . . . 6357 1 564 . 1 1 121 121 LYS CB C 13 31.939 0.2 . 1 . . . . . . . . 6357 1 565 . 1 1 121 121 LYS C C 13 179.817 0.2 . 1 . . . . . . . . 6357 1 566 . 1 1 122 122 GLU N N 15 118.679 0.2 . 1 . . . . . . . . 6357 1 567 . 1 1 122 122 GLU H H 1 7.338 0.01 . 1 . . . . . . . . 6357 1 568 . 1 1 122 122 GLU CA C 13 57.155 0.2 . 1 . . . . . . . . 6357 1 569 . 1 1 122 122 GLU CB C 13 29.372 0.2 . 1 . . . . . . . . 6357 1 570 . 1 1 122 122 GLU C C 13 180.351 0.2 . 1 . . . . . . . . 6357 1 571 . 1 1 123 123 LEU N N 15 123.447 0.2 . 1 . . . . . . . . 6357 1 572 . 1 1 123 123 LEU H H 1 7.653 0.01 . 1 . . . . . . . . 6357 1 573 . 1 1 123 123 LEU CA C 13 57.571 0.2 . 1 . . . . . . . . 6357 1 574 . 1 1 123 123 LEU CB C 13 40.341 0.2 . 1 . . . . . . . . 6357 1 575 . 1 1 123 123 LEU C C 13 178.091 0.2 . 1 . . . . . . . . 6357 1 576 . 1 1 124 124 THR N N 15 117.166 0.2 . 1 . . . . . . . . 6357 1 577 . 1 1 124 124 THR H H 1 8.174 0.01 . 1 . . . . . . . . 6357 1 578 . 1 1 124 124 THR CA C 13 67.850 0.2 . 1 . . . . . . . . 6357 1 579 . 1 1 124 124 THR C C 13 175.062 0.2 . 1 . . . . . . . . 6357 1 580 . 1 1 125 125 ALA N N 15 123.323 0.2 . 1 . . . . . . . . 6357 1 581 . 1 1 125 125 ALA H H 1 7.898 0.01 . 1 . . . . . . . . 6357 1 582 . 1 1 125 125 ALA CA C 13 55.877 0.2 . 1 . . . . . . . . 6357 1 583 . 1 1 125 125 ALA CB C 13 18.061 0.2 . 1 . . . . . . . . 6357 1 584 . 1 1 125 125 ALA C C 13 179.476 0.2 . 1 . . . . . . . . 6357 1 585 . 1 1 126 126 PHE N N 15 120.570 0.2 . 1 . . . . . . . . 6357 1 586 . 1 1 126 126 PHE H H 1 7.793 0.01 . 1 . . . . . . . . 6357 1 587 . 1 1 126 126 PHE CA C 13 61.170 0.2 . 1 . . . . . . . . 6357 1 588 . 1 1 126 126 PHE CB C 13 38.256 0.2 . 1 . . . . . . . . 6357 1 589 . 1 1 126 126 PHE C C 13 177.702 0.2 . 1 . . . . . . . . 6357 1 590 . 1 1 127 127 LEU N N 15 121.703 0.2 . 1 . . . . . . . . 6357 1 591 . 1 1 127 127 LEU H H 1 8.055 0.01 . 1 . . . . . . . . 6357 1 592 . 1 1 127 127 LEU CA C 13 57.778 0.2 . 1 . . . . . . . . 6357 1 593 . 1 1 127 127 LEU CB C 13 39.940 0.2 . 1 . . . . . . . . 6357 1 594 . 1 1 127 127 LEU C C 13 179.045 0.2 . 1 . . . . . . . . 6357 1 595 . 1 1 128 128 HIS N N 15 120.867 0.2 . 1 . . . . . . . . 6357 1 596 . 1 1 128 128 HIS H H 1 8.905 0.01 . 1 . . . . . . . . 6357 1 597 . 1 1 128 128 HIS CA C 13 59.289 0.2 . 1 . . . . . . . . 6357 1 598 . 1 1 128 128 HIS CB C 13 28.928 0.2 . 1 . . . . . . . . 6357 1 599 . 1 1 128 128 HIS C C 13 179.793 0.2 . 1 . . . . . . . . 6357 1 600 . 1 1 129 129 ASN N N 15 118.327 0.2 . 1 . . . . . . . . 6357 1 601 . 1 1 129 129 ASN H H 1 8.390 0.01 . 1 . . . . . . . . 6357 1 602 . 1 1 129 129 ASN CA C 13 55.703 0.2 . 1 . . . . . . . . 6357 1 603 . 1 1 129 129 ASN CB C 13 38.202 0.2 . 1 . . . . . . . . 6357 1 604 . 1 1 129 129 ASN C C 13 176.469 0.2 . 1 . . . . . . . . 6357 1 605 . 1 1 130 130 MET N N 15 115.637 0.2 . 1 . . . . . . . . 6357 1 606 . 1 1 130 130 MET H H 1 7.501 0.01 . 1 . . . . . . . . 6357 1 607 . 1 1 130 130 MET CA C 13 55.449 0.2 . 1 . . . . . . . . 6357 1 608 . 1 1 130 130 MET CB C 13 32.020 0.2 . 1 . . . . . . . . 6357 1 609 . 1 1 130 130 MET C C 13 175.820 0.2 . 1 . . . . . . . . 6357 1 610 . 1 1 131 131 GLY N N 15 107.845 0.2 . 1 . . . . . . . . 6357 1 611 . 1 1 131 131 GLY H H 1 7.728 0.01 . 1 . . . . . . . . 6357 1 612 . 1 1 131 131 GLY CA C 13 45.274 0.2 . 1 . . . . . . . . 6357 1 613 . 1 1 131 131 GLY C C 13 172.691 0.2 . 1 . . . . . . . . 6357 1 614 . 1 1 132 132 ASP N N 15 121.767 0.2 . 1 . . . . . . . . 6357 1 615 . 1 1 132 132 ASP H H 1 8.005 0.01 . 1 . . . . . . . . 6357 1 616 . 1 1 132 132 ASP CA C 13 52.459 0.2 . 1 . . . . . . . . 6357 1 617 . 1 1 132 132 ASP CB C 13 39.856 0.2 . 1 . . . . . . . . 6357 1 618 . 1 1 132 132 ASP C C 13 174.720 0.2 . 1 . . . . . . . . 6357 1 619 . 1 1 133 133 HIS N N 15 121.332 0.2 . 1 . . . . . . . . 6357 1 620 . 1 1 133 133 HIS H H 1 8.337 0.01 . 1 . . . . . . . . 6357 1 621 . 1 1 133 133 HIS CA C 13 54.540 0.2 . 1 . . . . . . . . 6357 1 622 . 1 1 133 133 HIS CB C 13 29.428 0.2 . 1 . . . . . . . . 6357 1 623 . 1 1 133 133 HIS C C 13 174.990 0.2 . 1 . . . . . . . . 6357 1 624 . 1 1 134 134 VAL N N 15 121.396 0.2 . 1 . . . . . . . . 6357 1 625 . 1 1 134 134 VAL H H 1 8.805 0.01 . 1 . . . . . . . . 6357 1 626 . 1 1 134 134 VAL CA C 13 63.826 0.2 . 1 . . . . . . . . 6357 1 627 . 1 1 134 134 VAL CB C 13 34.850 0.2 . 1 . . . . . . . . 6357 1 628 . 1 1 134 134 VAL C C 13 176.010 0.2 . 1 . . . . . . . . 6357 1 629 . 1 1 135 135 THR N N 15 125.777 0.2 . 1 . . . . . . . . 6357 1 630 . 1 1 135 135 THR H H 1 9.373 0.01 . 1 . . . . . . . . 6357 1 631 . 1 1 135 135 THR CA C 13 64.830 0.2 . 1 . . . . . . . . 6357 1 632 . 1 1 135 135 THR CB C 13 66.931 0.2 . 1 . . . . . . . . 6357 1 633 . 1 1 135 135 THR C C 13 172.770 0.2 . 1 . . . . . . . . 6357 1 634 . 1 1 136 136 ARG N N 15 119.907 0.2 . 1 . . . . . . . . 6357 1 635 . 1 1 136 136 ARG H H 1 8.460 0.01 . 1 . . . . . . . . 6357 1 636 . 1 1 136 136 ARG CA C 13 54.210 0.2 . 1 . . . . . . . . 6357 1 637 . 1 1 136 136 ARG CB C 13 32.593 0.2 . 1 . . . . . . . . 6357 1 638 . 1 1 136 136 ARG C C 13 171.629 0.2 . 1 . . . . . . . . 6357 1 639 . 1 1 137 137 LEU N N 15 121.237 0.2 . 1 . . . . . . . . 6357 1 640 . 1 1 137 137 LEU H H 1 7.731 0.01 . 1 . . . . . . . . 6357 1 641 . 1 1 137 137 LEU CA C 13 53.334 0.2 . 1 . . . . . . . . 6357 1 642 . 1 1 137 137 LEU CB C 13 45.995 0.2 . 1 . . . . . . . . 6357 1 643 . 1 1 137 137 LEU C C 13 174.259 0.2 . 1 . . . . . . . . 6357 1 644 . 1 1 138 138 ASP N N 15 126.890 0.2 . 1 . . . . . . . . 6357 1 645 . 1 1 138 138 ASP H H 1 10.008 0.01 . 1 . . . . . . . . 6357 1 646 . 1 1 138 138 ASP CA C 13 55.489 0.2 . 1 . . . . . . . . 6357 1 647 . 1 1 138 138 ASP CB C 13 45.745 0.2 . 1 . . . . . . . . 6357 1 648 . 1 1 138 138 ASP C C 13 175.637 0.2 . 1 . . . . . . . . 6357 1 649 . 1 1 139 139 ARG N N 15 125.195 0.2 . 1 . . . . . . . . 6357 1 650 . 1 1 139 139 ARG H H 1 9.231 0.01 . 1 . . . . . . . . 6357 1 651 . 1 1 139 139 ARG CA C 13 55.376 0.2 . 1 . . . . . . . . 6357 1 652 . 1 1 139 139 ARG CB C 13 34.558 0.2 . 1 . . . . . . . . 6357 1 653 . 1 1 139 139 ARG C C 13 170.545 0.2 . 1 . . . . . . . . 6357 1 654 . 1 1 140 140 TRP N N 15 114.588 0.2 . 1 . . . . . . . . 6357 1 655 . 1 1 140 140 TRP H H 1 7.705 0.01 . 1 . . . . . . . . 6357 1 656 . 1 1 140 140 TRP CA C 13 55.174 0.2 . 1 . . . . . . . . 6357 1 657 . 1 1 140 140 TRP CB C 13 29.161 0.2 . 1 . . . . . . . . 6357 1 658 . 1 1 140 140 TRP C C 13 177.911 0.2 . 1 . . . . . . . . 6357 1 659 . 1 1 141 141 GLU N N 15 117.481 0.2 . 1 . . . . . . . . 6357 1 660 . 1 1 141 141 GLU H H 1 9.532 0.01 . 1 . . . . . . . . 6357 1 661 . 1 1 142 142 PRO CA C 13 63.863 0.2 . 1 . . . . . . . . 6357 1 662 . 1 1 142 142 PRO CB C 13 34.229 0.2 . 1 . . . . . . . . 6357 1 663 . 1 1 142 142 PRO C C 13 177.786 0.2 . 1 . . . . . . . . 6357 1 664 . 1 1 143 143 GLU N N 15 128.362 0.2 . 1 . . . . . . . . 6357 1 665 . 1 1 143 143 GLU H H 1 8.668 0.01 . 1 . . . . . . . . 6357 1 666 . 1 1 143 143 GLU CA C 13 60.891 0.2 . 1 . . . . . . . . 6357 1 667 . 1 1 143 143 GLU CB C 13 29.452 0.2 . 1 . . . . . . . . 6357 1 668 . 1 1 143 143 GLU C C 13 176.637 0.2 . 1 . . . . . . . . 6357 1 669 . 1 1 144 144 LEU N N 15 113.109 0.2 . 1 . . . . . . . . 6357 1 670 . 1 1 144 144 LEU H H 1 7.671 0.01 . 1 . . . . . . . . 6357 1 671 . 1 1 144 144 LEU CA C 13 57.314 0.2 . 1 . . . . . . . . 6357 1 672 . 1 1 144 144 LEU CB C 13 40.671 0.2 . 1 . . . . . . . . 6357 1 673 . 1 1 144 144 LEU C C 13 176.857 0.2 . 1 . . . . . . . . 6357 1 674 . 1 1 145 145 ASN N N 15 119.956 0.2 . 1 . . . . . . . . 6357 1 675 . 1 1 145 145 ASN H H 1 7.550 0.01 . 1 . . . . . . . . 6357 1 676 . 1 1 145 145 ASN CA C 13 54.037 0.2 . 1 . . . . . . . . 6357 1 677 . 1 1 145 145 ASN CB C 13 40.818 0.2 . 1 . . . . . . . . 6357 1 678 . 1 1 145 145 ASN C C 13 174.765 0.2 . 1 . . . . . . . . 6357 1 679 . 1 1 146 146 GLU N N 15 120.822 0.2 . 1 . . . . . . . . 6357 1 680 . 1 1 146 146 GLU H H 1 7.463 0.01 . 1 . . . . . . . . 6357 1 681 . 1 1 146 146 GLU CA C 13 60.824 0.2 . 1 . . . . . . . . 6357 1 682 . 1 1 146 146 GLU CB C 13 30.920 0.2 . 1 . . . . . . . . 6357 1 683 . 1 1 146 146 GLU C C 13 175.723 0.2 . 1 . . . . . . . . 6357 1 684 . 1 1 147 147 ALA N N 15 118.355 0.2 . 1 . . . . . . . . 6357 1 685 . 1 1 147 147 ALA H H 1 9.509 0.01 . 1 . . . . . . . . 6357 1 686 . 1 1 147 147 ALA CA C 13 52.160 0.2 . 1 . . . . . . . . 6357 1 687 . 1 1 147 147 ALA CB C 13 18.070 0.2 . 1 . . . . . . . . 6357 1 688 . 1 1 147 147 ALA C C 13 176.476 0.2 . 1 . . . . . . . . 6357 1 689 . 1 1 148 148 ILE N N 15 120.878 0.2 . 1 . . . . . . . . 6357 1 690 . 1 1 148 148 ILE H H 1 8.660 0.01 . 1 . . . . . . . . 6357 1 691 . 1 1 148 148 ILE CA C 13 60.250 0.2 . 1 . . . . . . . . 6357 1 692 . 1 1 149 149 PRO CA C 13 64.275 0.2 . 1 . . . . . . . . 6357 1 693 . 1 1 149 149 PRO CB C 13 31.551 0.2 . 1 . . . . . . . . 6357 1 694 . 1 1 149 149 PRO C C 13 177.498 0.2 . 1 . . . . . . . . 6357 1 695 . 1 1 150 150 ASN N N 15 116.053 0.2 . 1 . . . . . . . . 6357 1 696 . 1 1 150 150 ASN H H 1 8.908 0.01 . 1 . . . . . . . . 6357 1 697 . 1 1 150 150 ASN CA C 13 55.369 0.2 . 1 . . . . . . . . 6357 1 698 . 1 1 150 150 ASN CB C 13 37.501 0.2 . 1 . . . . . . . . 6357 1 699 . 1 1 150 150 ASN C C 13 173.229 0.2 . 1 . . . . . . . . 6357 1 700 . 1 1 151 151 ASP N N 15 120.911 0.2 . 1 . . . . . . . . 6357 1 701 . 1 1 151 151 ASP H H 1 7.599 0.01 . 1 . . . . . . . . 6357 1 702 . 1 1 151 151 ASP CA C 13 53.449 0.2 . 1 . . . . . . . . 6357 1 703 . 1 1 151 151 ASP CB C 13 42.066 0.2 . 1 . . . . . . . . 6357 1 704 . 1 1 151 151 ASP C C 13 177.313 0.2 . 1 . . . . . . . . 6357 1 705 . 1 1 152 152 GLU N N 15 126.549 0.2 . 1 . . . . . . . . 6357 1 706 . 1 1 152 152 GLU H H 1 8.990 0.01 . 1 . . . . . . . . 6357 1 707 . 1 1 152 152 GLU CA C 13 56.994 0.2 . 1 . . . . . . . . 6357 1 708 . 1 1 152 152 GLU CB C 13 29.845 0.2 . 1 . . . . . . . . 6357 1 709 . 1 1 152 152 GLU C C 13 177.603 0.2 . 1 . . . . . . . . 6357 1 710 . 1 1 153 153 ARG N N 15 122.428 0.2 . 1 . . . . . . . . 6357 1 711 . 1 1 153 153 ARG H H 1 8.103 0.01 . 1 . . . . . . . . 6357 1 712 . 1 1 153 153 ARG CA C 13 57.372 0.2 . 1 . . . . . . . . 6357 1 713 . 1 1 153 153 ARG CB C 13 30.785 0.2 . 1 . . . . . . . . 6357 1 714 . 1 1 153 153 ARG C C 13 177.153 0.2 . 1 . . . . . . . . 6357 1 715 . 1 1 154 154 ASP N N 15 115.693 0.2 . 1 . . . . . . . . 6357 1 716 . 1 1 154 154 ASP H H 1 8.777 0.01 . 1 . . . . . . . . 6357 1 717 . 1 1 154 154 ASP CA C 13 55.982 0.2 . 1 . . . . . . . . 6357 1 718 . 1 1 154 154 ASP CB C 13 42.409 0.2 . 1 . . . . . . . . 6357 1 719 . 1 1 154 154 ASP C C 13 177.909 0.2 . 1 . . . . . . . . 6357 1 720 . 1 1 155 155 THR N N 15 104.920 0.2 . 1 . . . . . . . . 6357 1 721 . 1 1 155 155 THR H H 1 7.275 0.01 . 1 . . . . . . . . 6357 1 722 . 1 1 155 155 THR CA C 13 59.777 0.2 . 1 . . . . . . . . 6357 1 723 . 1 1 155 155 THR CB C 13 75.098 0.2 . 1 . . . . . . . . 6357 1 724 . 1 1 155 155 THR C C 13 173.092 0.2 . 1 . . . . . . . . 6357 1 725 . 1 1 156 156 THR N N 15 111.812 0.2 . 1 . . . . . . . . 6357 1 726 . 1 1 156 156 THR H H 1 8.216 0.01 . 1 . . . . . . . . 6357 1 727 . 1 1 156 156 THR CA C 13 59.765 0.2 . 1 . . . . . . . . 6357 1 728 . 1 1 156 156 THR CB C 13 69.066 0.2 . 1 . . . . . . . . 6357 1 729 . 1 1 156 156 THR C C 13 173.561 0.2 . 1 . . . . . . . . 6357 1 730 . 1 1 157 157 MET N N 15 117.972 0.2 . 1 . . . . . . . . 6357 1 731 . 1 1 157 157 MET H H 1 8.513 0.01 . 1 . . . . . . . . 6357 1 732 . 1 1 157 157 MET CA C 13 53.310 0.2 . 1 . . . . . . . . 6357 1 733 . 1 1 158 158 PRO CA C 13 67.568 0.2 . 1 . . . . . . . . 6357 1 734 . 1 1 158 158 PRO CB C 13 32.565 0.2 . 1 . . . . . . . . 6357 1 735 . 1 1 158 158 PRO C C 13 176.865 0.2 . 1 . . . . . . . . 6357 1 736 . 1 1 159 159 ALA N N 15 114.855 0.2 . 1 . . . . . . . . 6357 1 737 . 1 1 159 159 ALA H H 1 8.672 0.01 . 1 . . . . . . . . 6357 1 738 . 1 1 159 159 ALA CA C 13 56.284 0.2 . 1 . . . . . . . . 6357 1 739 . 1 1 159 159 ALA CB C 13 18.517 0.2 . 1 . . . . . . . . 6357 1 740 . 1 1 159 159 ALA C C 13 179.051 0.2 . 1 . . . . . . . . 6357 1 741 . 1 1 160 160 ALA N N 15 121.213 0.2 . 1 . . . . . . . . 6357 1 742 . 1 1 160 160 ALA H H 1 6.859 0.01 . 1 . . . . . . . . 6357 1 743 . 1 1 160 160 ALA CA C 13 54.892 0.2 . 1 . . . . . . . . 6357 1 744 . 1 1 160 160 ALA CB C 13 18.984 0.2 . 1 . . . . . . . . 6357 1 745 . 1 1 160 160 ALA C C 13 177.965 0.2 . 1 . . . . . . . . 6357 1 746 . 1 1 161 161 MET N N 15 116.178 0.2 . 1 . . . . . . . . 6357 1 747 . 1 1 161 161 MET H H 1 8.331 0.01 . 1 . . . . . . . . 6357 1 748 . 1 1 161 161 MET CA C 13 57.394 0.2 . 1 . . . . . . . . 6357 1 749 . 1 1 161 161 MET CB C 13 31.309 0.2 . 1 . . . . . . . . 6357 1 750 . 1 1 161 161 MET C C 13 177.862 0.2 . 1 . . . . . . . . 6357 1 751 . 1 1 162 162 ALA N N 15 117.937 0.2 . 1 . . . . . . . . 6357 1 752 . 1 1 162 162 ALA H H 1 8.281 0.01 . 1 . . . . . . . . 6357 1 753 . 1 1 162 162 ALA CA C 13 55.890 0.2 . 1 . . . . . . . . 6357 1 754 . 1 1 162 162 ALA CB C 13 19.336 0.2 . 1 . . . . . . . . 6357 1 755 . 1 1 162 162 ALA C C 13 178.416 0.2 . 1 . . . . . . . . 6357 1 756 . 1 1 163 163 THR N N 15 112.405 0.2 . 1 . . . . . . . . 6357 1 757 . 1 1 163 163 THR H H 1 7.705 0.01 . 1 . . . . . . . . 6357 1 758 . 1 1 163 163 THR CA C 13 66.421 0.2 . 1 . . . . . . . . 6357 1 759 . 1 1 163 163 THR CB C 13 68.878 0.2 . 1 . . . . . . . . 6357 1 760 . 1 1 163 163 THR C C 13 177.373 0.2 . 1 . . . . . . . . 6357 1 761 . 1 1 164 164 THR N N 15 124.712 0.2 . 1 . . . . . . . . 6357 1 762 . 1 1 164 164 THR H H 1 9.058 0.01 . 1 . . . . . . . . 6357 1 763 . 1 1 164 164 THR CA C 13 67.273 0.2 . 1 . . . . . . . . 6357 1 764 . 1 1 164 164 THR CB C 13 67.892 0.2 . 1 . . . . . . . . 6357 1 765 . 1 1 164 164 THR C C 13 175.737 0.2 . 1 . . . . . . . . 6357 1 766 . 1 1 165 165 LEU N N 15 121.426 0.2 . 1 . . . . . . . . 6357 1 767 . 1 1 165 165 LEU H H 1 8.853 0.01 . 1 . . . . . . . . 6357 1 768 . 1 1 165 165 LEU CA C 13 58.178 0.2 . 1 . . . . . . . . 6357 1 769 . 1 1 165 165 LEU CB C 13 41.637 0.2 . 1 . . . . . . . . 6357 1 770 . 1 1 165 165 LEU C C 13 178.214 0.2 . 1 . . . . . . . . 6357 1 771 . 1 1 166 166 ARG N N 15 118.455 0.2 . 1 . . . . . . . . 6357 1 772 . 1 1 166 166 ARG H H 1 8.127 0.01 . 1 . . . . . . . . 6357 1 773 . 1 1 166 166 ARG CA C 13 60.928 0.2 . 1 . . . . . . . . 6357 1 774 . 1 1 166 166 ARG CB C 13 28.945 0.2 . 1 . . . . . . . . 6357 1 775 . 1 1 166 166 ARG C C 13 178.708 0.2 . 1 . . . . . . . . 6357 1 776 . 1 1 167 167 LYS N N 15 121.028 0.2 . 1 . . . . . . . . 6357 1 777 . 1 1 167 167 LYS H H 1 8.094 0.01 . 1 . . . . . . . . 6357 1 778 . 1 1 167 167 LYS CA C 13 60.167 0.2 . 1 . . . . . . . . 6357 1 779 . 1 1 167 167 LYS CB C 13 32.828 0.2 . 1 . . . . . . . . 6357 1 780 . 1 1 167 167 LYS C C 13 178.599 0.2 . 1 . . . . . . . . 6357 1 781 . 1 1 168 168 LEU N N 15 117.504 0.2 . 1 . . . . . . . . 6357 1 782 . 1 1 168 168 LEU H H 1 8.049 0.01 . 1 . . . . . . . . 6357 1 783 . 1 1 168 168 LEU CA C 13 57.999 0.2 . 1 . . . . . . . . 6357 1 784 . 1 1 168 168 LEU CB C 13 42.875 0.2 . 1 . . . . . . . . 6357 1 785 . 1 1 168 168 LEU C C 13 177.441 0.2 . 1 . . . . . . . . 6357 1 786 . 1 1 169 169 LEU N N 15 111.534 0.2 . 1 . . . . . . . . 6357 1 787 . 1 1 169 169 LEU H H 1 8.042 0.01 . 1 . . . . . . . . 6357 1 788 . 1 1 169 169 LEU CA C 13 56.756 0.2 . 1 . . . . . . . . 6357 1 789 . 1 1 169 169 LEU CB C 13 43.119 0.2 . 1 . . . . . . . . 6357 1 790 . 1 1 169 169 LEU C C 13 178.282 0.2 . 1 . . . . . . . . 6357 1 791 . 1 1 170 170 THR N N 15 105.453 0.2 . 1 . . . . . . . . 6357 1 792 . 1 1 170 170 THR H H 1 7.969 0.01 . 1 . . . . . . . . 6357 1 793 . 1 1 170 170 THR CA C 13 61.015 0.2 . 1 . . . . . . . . 6357 1 794 . 1 1 170 170 THR CB C 13 72.210 0.2 . 1 . . . . . . . . 6357 1 795 . 1 1 170 170 THR C C 13 174.638 0.2 . 1 . . . . . . . . 6357 1 796 . 1 1 171 171 GLY N N 15 110.564 0.2 . 1 . . . . . . . . 6357 1 797 . 1 1 171 171 GLY H H 1 7.901 0.01 . 1 . . . . . . . . 6357 1 798 . 1 1 171 171 GLY CA C 13 45.051 0.2 . 1 . . . . . . . . 6357 1 799 . 1 1 171 171 GLY C C 13 174.014 0.2 . 1 . . . . . . . . 6357 1 800 . 1 1 172 172 GLU N N 15 116.800 0.2 . 1 . . . . . . . . 6357 1 801 . 1 1 172 172 GLU H H 1 8.392 0.01 . 1 . . . . . . . . 6357 1 802 . 1 1 172 172 GLU CA C 13 56.079 0.2 . 1 . . . . . . . . 6357 1 803 . 1 1 172 172 GLU CB C 13 29.620 0.2 . 1 . . . . . . . . 6357 1 804 . 1 1 172 172 GLU C C 13 176.409 0.2 . 1 . . . . . . . . 6357 1 805 . 1 1 173 173 LEU N N 15 122.783 0.2 . 1 . . . . . . . . 6357 1 806 . 1 1 173 173 LEU H H 1 7.475 0.01 . 1 . . . . . . . . 6357 1 807 . 1 1 173 173 LEU CA C 13 58.270 0.2 . 1 . . . . . . . . 6357 1 808 . 1 1 173 173 LEU CB C 13 42.775 0.2 . 1 . . . . . . . . 6357 1 809 . 1 1 173 173 LEU C C 13 177.394 0.2 . 1 . . . . . . . . 6357 1 810 . 1 1 174 174 LEU N N 15 118.297 0.2 . 1 . . . . . . . . 6357 1 811 . 1 1 174 174 LEU H H 1 8.697 0.01 . 1 . . . . . . . . 6357 1 812 . 1 1 174 174 LEU CA C 13 52.808 0.2 . 1 . . . . . . . . 6357 1 813 . 1 1 174 174 LEU CB C 13 44.332 0.2 . 1 . . . . . . . . 6357 1 814 . 1 1 174 174 LEU C C 13 177.569 0.2 . 1 . . . . . . . . 6357 1 815 . 1 1 175 175 THR N N 15 112.642 0.2 . 1 . . . . . . . . 6357 1 816 . 1 1 175 175 THR H H 1 8.964 0.01 . 1 . . . . . . . . 6357 1 817 . 1 1 175 175 THR CA C 13 62.169 0.2 . 1 . . . . . . . . 6357 1 818 . 1 1 175 175 THR CB C 13 71.603 0.2 . 1 . . . . . . . . 6357 1 819 . 1 1 175 175 THR C C 13 175.365 0.2 . 1 . . . . . . . . 6357 1 820 . 1 1 176 176 LEU N N 15 123.086 0.2 . 1 . . . . . . . . 6357 1 821 . 1 1 176 176 LEU H H 1 8.699 0.01 . 1 . . . . . . . . 6357 1 822 . 1 1 176 176 LEU CA C 13 58.971 0.2 . 1 . . . . . . . . 6357 1 823 . 1 1 176 176 LEU CB C 13 41.646 0.2 . 1 . . . . . . . . 6357 1 824 . 1 1 176 176 LEU C C 13 179.074 0.2 . 1 . . . . . . . . 6357 1 825 . 1 1 177 177 ALA N N 15 118.771 0.2 . 1 . . . . . . . . 6357 1 826 . 1 1 177 177 ALA H H 1 8.453 0.01 . 1 . . . . . . . . 6357 1 827 . 1 1 177 177 ALA CA C 13 55.091 0.2 . 1 . . . . . . . . 6357 1 828 . 1 1 177 177 ALA CB C 13 18.171 0.2 . 1 . . . . . . . . 6357 1 829 . 1 1 177 177 ALA C C 13 181.483 0.2 . 1 . . . . . . . . 6357 1 830 . 1 1 178 178 SER N N 15 118.640 0.2 . 1 . . . . . . . . 6357 1 831 . 1 1 178 178 SER H H 1 7.748 0.01 . 1 . . . . . . . . 6357 1 832 . 1 1 178 178 SER CA C 13 62.875 0.2 . 1 . . . . . . . . 6357 1 833 . 1 1 178 178 SER CB C 13 64.788 0.2 . 1 . . . . . . . . 6357 1 834 . 1 1 178 178 SER C C 13 175.065 0.2 . 1 . . . . . . . . 6357 1 835 . 1 1 179 179 ARG N N 15 123.777 0.2 . 1 . . . . . . . . 6357 1 836 . 1 1 179 179 ARG H H 1 9.072 0.01 . 1 . . . . . . . . 6357 1 837 . 1 1 179 179 ARG CA C 13 60.471 0.2 . 1 . . . . . . . . 6357 1 838 . 1 1 179 179 ARG CB C 13 31.106 0.2 . 1 . . . . . . . . 6357 1 839 . 1 1 179 179 ARG C C 13 178.519 0.2 . 1 . . . . . . . . 6357 1 840 . 1 1 180 180 GLN N N 15 117.749 0.2 . 1 . . . . . . . . 6357 1 841 . 1 1 180 180 GLN H H 1 8.226 0.01 . 1 . . . . . . . . 6357 1 842 . 1 1 180 180 GLN CA C 13 57.696 0.2 . 1 . . . . . . . . 6357 1 843 . 1 1 180 180 GLN CB C 13 28.404 0.2 . 1 . . . . . . . . 6357 1 844 . 1 1 180 180 GLN C C 13 177.109 0.2 . 1 . . . . . . . . 6357 1 845 . 1 1 181 181 GLN N N 15 118.220 0.2 . 1 . . . . . . . . 6357 1 846 . 1 1 181 181 GLN H H 1 7.602 0.01 . 1 . . . . . . . . 6357 1 847 . 1 1 181 181 GLN CA C 13 57.092 0.2 . 1 . . . . . . . . 6357 1 848 . 1 1 181 181 GLN CB C 13 28.630 0.2 . 1 . . . . . . . . 6357 1 849 . 1 1 181 181 GLN C C 13 177.862 0.2 . 1 . . . . . . . . 6357 1 850 . 1 1 182 182 LEU N N 15 121.240 0.2 . 1 . . . . . . . . 6357 1 851 . 1 1 182 182 LEU H H 1 7.985 0.01 . 1 . . . . . . . . 6357 1 852 . 1 1 182 182 LEU CA C 13 58.300 0.2 . 1 . . . . . . . . 6357 1 853 . 1 1 182 182 LEU CB C 13 41.711 0.2 . 1 . . . . . . . . 6357 1 854 . 1 1 182 182 LEU C C 13 178.265 0.2 . 1 . . . . . . . . 6357 1 855 . 1 1 183 183 ILE N N 15 118.270 0.2 . 1 . . . . . . . . 6357 1 856 . 1 1 183 183 ILE H H 1 7.812 0.01 . 1 . . . . . . . . 6357 1 857 . 1 1 183 183 ILE CA C 13 65.566 0.2 . 1 . . . . . . . . 6357 1 858 . 1 1 183 183 ILE CB C 13 38.249 0.2 . 1 . . . . . . . . 6357 1 859 . 1 1 183 183 ILE C C 13 177.262 0.2 . 1 . . . . . . . . 6357 1 860 . 1 1 184 184 ASP N N 15 122.512 0.2 . 1 . . . . . . . . 6357 1 861 . 1 1 184 184 ASP H H 1 8.689 0.01 . 1 . . . . . . . . 6357 1 862 . 1 1 184 184 ASP CA C 13 57.710 0.2 . 1 . . . . . . . . 6357 1 863 . 1 1 184 184 ASP CB C 13 39.950 0.2 . 1 . . . . . . . . 6357 1 864 . 1 1 184 184 ASP C C 13 181.415 0.2 . 1 . . . . . . . . 6357 1 865 . 1 1 185 185 TRP N N 15 120.526 0.2 . 1 . . . . . . . . 6357 1 866 . 1 1 185 185 TRP H H 1 8.034 0.01 . 1 . . . . . . . . 6357 1 867 . 1 1 185 185 TRP CA C 13 59.866 0.2 . 1 . . . . . . . . 6357 1 868 . 1 1 185 185 TRP CB C 13 28.867 0.2 . 1 . . . . . . . . 6357 1 869 . 1 1 185 185 TRP C C 13 177.112 0.2 . 1 . . . . . . . . 6357 1 870 . 1 1 186 186 MET N N 15 116.102 0.2 . 1 . . . . . . . . 6357 1 871 . 1 1 186 186 MET H H 1 7.733 0.01 . 1 . . . . . . . . 6357 1 872 . 1 1 186 186 MET CA C 13 59.494 0.2 . 1 . . . . . . . . 6357 1 873 . 1 1 186 186 MET C C 13 180.252 0.2 . 1 . . . . . . . . 6357 1 874 . 1 1 187 187 GLU N N 15 124.846 0.2 . 1 . . . . . . . . 6357 1 875 . 1 1 187 187 GLU H H 1 9.647 0.01 . 1 . . . . . . . . 6357 1 876 . 1 1 187 187 GLU CA C 13 59.774 0.2 . 1 . . . . . . . . 6357 1 877 . 1 1 187 187 GLU CB C 13 29.888 0.2 . 1 . . . . . . . . 6357 1 878 . 1 1 187 187 GLU C C 13 178.125 0.2 . 1 . . . . . . . . 6357 1 879 . 1 1 188 188 ALA N N 15 119.728 0.2 . 1 . . . . . . . . 6357 1 880 . 1 1 188 188 ALA H H 1 7.332 0.01 . 1 . . . . . . . . 6357 1 881 . 1 1 188 188 ALA CA C 13 51.935 0.2 . 1 . . . . . . . . 6357 1 882 . 1 1 188 188 ALA CB C 13 19.067 0.2 . 1 . . . . . . . . 6357 1 883 . 1 1 188 188 ALA C C 13 175.495 0.2 . 1 . . . . . . . . 6357 1 884 . 1 1 189 189 ASP N N 15 115.894 0.2 . 1 . . . . . . . . 6357 1 885 . 1 1 189 189 ASP H H 1 6.983 0.01 . 1 . . . . . . . . 6357 1 886 . 1 1 189 189 ASP CA C 13 55.067 0.2 . 1 . . . . . . . . 6357 1 887 . 1 1 189 189 ASP CB C 13 39.226 0.2 . 1 . . . . . . . . 6357 1 888 . 1 1 189 189 ASP C C 13 177.410 0.2 . 1 . . . . . . . . 6357 1 889 . 1 1 190 190 LYS N N 15 127.440 0.2 . 1 . . . . . . . . 6357 1 890 . 1 1 190 190 LYS H H 1 9.491 0.01 . 1 . . . . . . . . 6357 1 891 . 1 1 190 190 LYS CA C 13 56.479 0.2 . 1 . . . . . . . . 6357 1 892 . 1 1 190 190 LYS CB C 13 35.131 0.2 . 1 . . . . . . . . 6357 1 893 . 1 1 190 190 LYS C C 13 179.571 0.2 . 1 . . . . . . . . 6357 1 894 . 1 1 191 191 VAL N N 15 110.491 0.2 . 1 . . . . . . . . 6357 1 895 . 1 1 191 191 VAL H H 1 7.223 0.01 . 1 . . . . . . . . 6357 1 896 . 1 1 191 191 VAL CA C 13 60.717 0.2 . 1 . . . . . . . . 6357 1 897 . 1 1 191 191 VAL CB C 13 31.620 0.2 . 1 . . . . . . . . 6357 1 898 . 1 1 191 191 VAL C C 13 175.044 0.2 . 1 . . . . . . . . 6357 1 899 . 1 1 192 192 ALA N N 15 125.596 0.2 . 1 . . . . . . . . 6357 1 900 . 1 1 192 192 ALA H H 1 8.927 0.01 . 1 . . . . . . . . 6357 1 901 . 1 1 192 192 ALA CA C 13 50.614 0.2 . 1 . . . . . . . . 6357 1 902 . 1 1 192 192 ALA CB C 13 20.753 0.2 . 1 . . . . . . . . 6357 1 903 . 1 1 192 192 ALA C C 13 178.313 0.2 . 1 . . . . . . . . 6357 1 904 . 1 1 193 193 GLY N N 15 114.393 0.2 . 1 . . . . . . . . 6357 1 905 . 1 1 193 193 GLY H H 1 8.937 0.01 . 1 . . . . . . . . 6357 1 906 . 1 1 194 194 PRO CA C 13 64.010 0.2 . 1 . . . . . . . . 6357 1 907 . 1 1 194 194 PRO CB C 13 32.608 0.2 . 1 . . . . . . . . 6357 1 908 . 1 1 194 194 PRO C C 13 175.150 0.2 . 1 . . . . . . . . 6357 1 909 . 1 1 195 195 LEU N N 15 114.135 0.2 . 1 . . . . . . . . 6357 1 910 . 1 1 195 195 LEU H H 1 6.804 0.01 . 1 . . . . . . . . 6357 1 911 . 1 1 195 195 LEU CA C 13 52.002 0.2 . 1 . . . . . . . . 6357 1 912 . 1 1 195 195 LEU CB C 13 39.888 0.2 . 1 . . . . . . . . 6357 1 913 . 1 1 195 195 LEU C C 13 176.368 0.2 . 1 . . . . . . . . 6357 1 914 . 1 1 196 196 LEU N N 15 123.561 0.2 . 1 . . . . . . . . 6357 1 915 . 1 1 196 196 LEU H H 1 6.898 0.01 . 1 . . . . . . . . 6357 1 916 . 1 1 196 196 LEU CA C 13 58.121 0.2 . 1 . . . . . . . . 6357 1 917 . 1 1 196 196 LEU CB C 13 42.272 0.2 . 1 . . . . . . . . 6357 1 918 . 1 1 196 196 LEU C C 13 178.523 0.2 . 1 . . . . . . . . 6357 1 919 . 1 1 197 197 ARG N N 15 116.113 0.2 . 1 . . . . . . . . 6357 1 920 . 1 1 197 197 ARG H H 1 8.944 0.01 . 1 . . . . . . . . 6357 1 921 . 1 1 197 197 ARG CA C 13 59.919 0.2 . 1 . . . . . . . . 6357 1 922 . 1 1 197 197 ARG CB C 13 30.038 0.2 . 1 . . . . . . . . 6357 1 923 . 1 1 197 197 ARG C C 13 177.446 0.2 . 1 . . . . . . . . 6357 1 924 . 1 1 198 198 SER N N 15 113.506 0.2 . 1 . . . . . . . . 6357 1 925 . 1 1 198 198 SER H H 1 7.012 0.01 . 1 . . . . . . . . 6357 1 926 . 1 1 198 198 SER CA C 13 61.076 0.2 . 1 . . . . . . . . 6357 1 927 . 1 1 198 198 SER CB C 13 63.335 0.2 . 1 . . . . . . . . 6357 1 928 . 1 1 198 198 SER C C 13 174.020 0.2 . 1 . . . . . . . . 6357 1 929 . 1 1 199 199 ALA N N 15 122.972 0.2 . 1 . . . . . . . . 6357 1 930 . 1 1 199 199 ALA H H 1 7.271 0.01 . 1 . . . . . . . . 6357 1 931 . 1 1 199 199 ALA CA C 13 50.822 0.2 . 1 . . . . . . . . 6357 1 932 . 1 1 199 199 ALA CB C 13 19.574 0.2 . 1 . . . . . . . . 6357 1 933 . 1 1 199 199 ALA C C 13 176.273 0.2 . 1 . . . . . . . . 6357 1 934 . 1 1 200 200 LEU N N 15 121.036 0.2 . 1 . . . . . . . . 6357 1 935 . 1 1 200 200 LEU H H 1 6.705 0.01 . 1 . . . . . . . . 6357 1 936 . 1 1 200 200 LEU CA C 13 53.233 0.2 . 1 . . . . . . . . 6357 1 937 . 1 1 201 201 PRO CA C 13 61.558 0.2 . 1 . . . . . . . . 6357 1 938 . 1 1 201 201 PRO CB C 13 32.059 0.2 . 1 . . . . . . . . 6357 1 939 . 1 1 201 201 PRO C C 13 175.783 0.2 . 1 . . . . . . . . 6357 1 940 . 1 1 202 202 ALA N N 15 122.887 0.2 . 1 . . . . . . . . 6357 1 941 . 1 1 202 202 ALA H H 1 8.242 0.01 . 1 . . . . . . . . 6357 1 942 . 1 1 202 202 ALA CA C 13 53.574 0.2 . 1 . . . . . . . . 6357 1 943 . 1 1 202 202 ALA CB C 13 18.288 0.2 . 1 . . . . . . . . 6357 1 944 . 1 1 202 202 ALA C C 13 179.420 0.2 . 1 . . . . . . . . 6357 1 945 . 1 1 203 203 GLY N N 15 110.228 0.2 . 1 . . . . . . . . 6357 1 946 . 1 1 203 203 GLY H H 1 8.827 0.01 . 1 . . . . . . . . 6357 1 947 . 1 1 203 203 GLY CA C 13 45.434 0.2 . 1 . . . . . . . . 6357 1 948 . 1 1 203 203 GLY C C 13 175.340 0.2 . 1 . . . . . . . . 6357 1 949 . 1 1 204 204 TRP N N 15 120.696 0.2 . 1 . . . . . . . . 6357 1 950 . 1 1 204 204 TRP H H 1 7.622 0.01 . 1 . . . . . . . . 6357 1 951 . 1 1 204 204 TRP CA C 13 59.148 0.2 . 1 . . . . . . . . 6357 1 952 . 1 1 204 204 TRP CB C 13 28.846 0.2 . 1 . . . . . . . . 6357 1 953 . 1 1 204 204 TRP C C 13 175.366 0.2 . 1 . . . . . . . . 6357 1 954 . 1 1 205 205 PHE N N 15 123.047 0.2 . 1 . . . . . . . . 6357 1 955 . 1 1 205 205 PHE H H 1 9.377 0.01 . 1 . . . . . . . . 6357 1 956 . 1 1 205 205 PHE CA C 13 56.873 0.2 . 1 . . . . . . . . 6357 1 957 . 1 1 205 205 PHE CB C 13 42.311 0.2 . 1 . . . . . . . . 6357 1 958 . 1 1 205 205 PHE C C 13 174.789 0.2 . 1 . . . . . . . . 6357 1 959 . 1 1 206 206 ILE N N 15 123.469 0.2 . 1 . . . . . . . . 6357 1 960 . 1 1 206 206 ILE H H 1 7.518 0.01 . 1 . . . . . . . . 6357 1 961 . 1 1 206 206 ILE CA C 13 60.555 0.2 . 1 . . . . . . . . 6357 1 962 . 1 1 206 206 ILE CB C 13 40.264 0.2 . 1 . . . . . . . . 6357 1 963 . 1 1 206 206 ILE C C 13 169.475 0.2 . 1 . . . . . . . . 6357 1 964 . 1 1 207 207 ALA N N 15 128.170 0.2 . 1 . . . . . . . . 6357 1 965 . 1 1 207 207 ALA H H 1 8.449 0.01 . 1 . . . . . . . . 6357 1 966 . 1 1 207 207 ALA CA C 13 50.861 0.2 . 1 . . . . . . . . 6357 1 967 . 1 1 207 207 ALA CB C 13 21.589 0.2 . 1 . . . . . . . . 6357 1 968 . 1 1 207 207 ALA C C 13 174.899 0.2 . 1 . . . . . . . . 6357 1 969 . 1 1 208 208 ASP N N 15 124.058 0.2 . 1 . . . . . . . . 6357 1 970 . 1 1 208 208 ASP H H 1 8.236 0.01 . 1 . . . . . . . . 6357 1 971 . 1 1 208 208 ASP CA C 13 53.137 0.2 . 1 . . . . . . . . 6357 1 972 . 1 1 208 208 ASP CB C 13 45.214 0.2 . 1 . . . . . . . . 6357 1 973 . 1 1 208 208 ASP C C 13 172.690 0.2 . 1 . . . . . . . . 6357 1 974 . 1 1 209 209 LYS N N 15 109.667 0.2 . 1 . . . . . . . . 6357 1 975 . 1 1 209 209 LYS H H 1 8.036 0.01 . 1 . . . . . . . . 6357 1 976 . 1 1 209 209 LYS CA C 13 55.747 0.2 . 1 . . . . . . . . 6357 1 977 . 1 1 210 210 SER N N 15 115.641 0.2 . 1 . . . . . . . . 6357 1 978 . 1 1 210 210 SER H H 1 8.239 0.01 . 1 . . . . . . . . 6357 1 979 . 1 1 210 210 SER CA C 13 57.244 0.2 . 1 . . . . . . . . 6357 1 980 . 1 1 210 210 SER CB C 13 68.091 0.2 . 1 . . . . . . . . 6357 1 981 . 1 1 210 210 SER C C 13 174.033 0.2 . 1 . . . . . . . . 6357 1 982 . 1 1 211 211 GLY N N 15 102.916 0.2 . 1 . . . . . . . . 6357 1 983 . 1 1 211 211 GLY H H 1 8.602 0.01 . 1 . . . . . . . . 6357 1 984 . 1 1 212 212 ALA CA C 13 53.169 0.2 . 1 . . . . . . . . 6357 1 985 . 1 1 212 212 ALA CB C 13 23.117 0.2 . 1 . . . . . . . . 6357 1 986 . 1 1 212 212 ALA C C 13 175.489 0.2 . 1 . . . . . . . . 6357 1 987 . 1 1 213 213 GLY N N 15 107.642 0.2 . 1 . . . . . . . . 6357 1 988 . 1 1 213 213 GLY H H 1 7.726 0.01 . 1 . . . . . . . . 6357 1 989 . 1 1 213 213 GLY CA C 13 45.527 0.2 . 1 . . . . . . . . 6357 1 990 . 1 1 213 213 GLY C C 13 172.718 0.2 . 1 . . . . . . . . 6357 1 991 . 1 1 214 214 GLU N N 15 117.220 0.2 . 1 . . . . . . . . 6357 1 992 . 1 1 214 214 GLU H H 1 7.860 0.01 . 1 . . . . . . . . 6357 1 993 . 1 1 214 214 GLU CA C 13 56.264 0.2 . 1 . . . . . . . . 6357 1 994 . 1 1 214 214 GLU CB C 13 30.079 0.2 . 1 . . . . . . . . 6357 1 995 . 1 1 214 214 GLU C C 13 176.018 0.2 . 1 . . . . . . . . 6357 1 996 . 1 1 215 215 ARG N N 15 118.256 0.2 . 1 . . . . . . . . 6357 1 997 . 1 1 215 215 ARG H H 1 9.471 0.01 . 1 . . . . . . . . 6357 1 998 . 1 1 215 215 ARG CA C 13 57.370 0.2 . 1 . . . . . . . . 6357 1 999 . 1 1 215 215 ARG CB C 13 27.634 0.2 . 1 . . . . . . . . 6357 1 1000 . 1 1 215 215 ARG C C 13 176.020 0.2 . 1 . . . . . . . . 6357 1 1001 . 1 1 216 216 GLY N N 15 102.908 0.2 . 1 . . . . . . . . 6357 1 1002 . 1 1 216 216 GLY H H 1 8.797 0.01 . 1 . . . . . . . . 6357 1 1003 . 1 1 216 216 GLY CA C 13 46.621 0.2 . 1 . . . . . . . . 6357 1 1004 . 1 1 216 216 GLY C C 13 177.321 0.2 . 1 . . . . . . . . 6357 1 1005 . 1 1 217 217 SER N N 15 119.501 0.2 . 1 . . . . . . . . 6357 1 1006 . 1 1 217 217 SER H H 1 7.542 0.01 . 1 . . . . . . . . 6357 1 1007 . 1 1 217 217 SER CA C 13 60.135 0.2 . 1 . . . . . . . . 6357 1 1008 . 1 1 217 217 SER CB C 13 64.445 0.2 . 1 . . . . . . . . 6357 1 1009 . 1 1 217 217 SER C C 13 174.939 0.2 . 1 . . . . . . . . 6357 1 1010 . 1 1 218 218 ARG N N 15 126.380 0.2 . 1 . . . . . . . . 6357 1 1011 . 1 1 218 218 ARG H H 1 9.047 0.01 . 1 . . . . . . . . 6357 1 1012 . 1 1 218 218 ARG CA C 13 54.509 0.2 . 1 . . . . . . . . 6357 1 1013 . 1 1 218 218 ARG CB C 13 34.859 0.2 . 1 . . . . . . . . 6357 1 1014 . 1 1 218 218 ARG C C 13 174.210 0.2 . 1 . . . . . . . . 6357 1 1015 . 1 1 219 219 GLY N N 15 111.745 0.2 . 1 . . . . . . . . 6357 1 1016 . 1 1 219 219 GLY H H 1 8.521 0.01 . 1 . . . . . . . . 6357 1 1017 . 1 1 219 219 GLY CA C 13 46.714 0.2 . 1 . . . . . . . . 6357 1 1018 . 1 1 219 219 GLY C C 13 170.313 0.2 . 1 . . . . . . . . 6357 1 1019 . 1 1 220 220 ILE N N 15 116.966 0.2 . 1 . . . . . . . . 6357 1 1020 . 1 1 220 220 ILE H H 1 9.177 0.01 . 1 . . . . . . . . 6357 1 1021 . 1 1 220 220 ILE CA C 13 59.706 0.2 . 1 . . . . . . . . 6357 1 1022 . 1 1 220 220 ILE C C 13 170.440 0.2 . 1 . . . . . . . . 6357 1 1023 . 1 1 221 221 ILE N N 15 118.224 0.2 . 1 . . . . . . . . 6357 1 1024 . 1 1 221 221 ILE H H 1 8.104 0.01 . 1 . . . . . . . . 6357 1 1025 . 1 1 221 221 ILE CA C 13 58.550 0.2 . 1 . . . . . . . . 6357 1 1026 . 1 1 221 221 ILE CB C 13 39.992 0.2 . 1 . . . . . . . . 6357 1 1027 . 1 1 221 221 ILE C C 13 174.738 0.2 . 1 . . . . . . . . 6357 1 1028 . 1 1 222 222 ALA N N 15 122.940 0.2 . 1 . . . . . . . . 6357 1 1029 . 1 1 222 222 ALA H H 1 8.986 0.01 . 1 . . . . . . . . 6357 1 1030 . 1 1 222 222 ALA CA C 13 51.605 0.2 . 1 . . . . . . . . 6357 1 1031 . 1 1 222 222 ALA CB C 13 24.548 0.2 . 1 . . . . . . . . 6357 1 1032 . 1 1 222 222 ALA C C 13 174.594 0.2 . 1 . . . . . . . . 6357 1 1033 . 1 1 223 223 ALA N N 15 122.994 0.2 . 1 . . . . . . . . 6357 1 1034 . 1 1 223 223 ALA H H 1 9.339 0.01 . 1 . . . . . . . . 6357 1 1035 . 1 1 223 223 ALA CA C 13 50.618 0.2 . 1 . . . . . . . . 6357 1 1036 . 1 1 223 223 ALA CB C 13 20.450 0.2 . 1 . . . . . . . . 6357 1 1037 . 1 1 223 223 ALA C C 13 175.586 0.2 . 1 . . . . . . . . 6357 1 1038 . 1 1 224 224 LEU N N 15 121.313 0.2 . 1 . . . . . . . . 6357 1 1039 . 1 1 224 224 LEU H H 1 9.323 0.01 . 1 . . . . . . . . 6357 1 1040 . 1 1 224 224 LEU CA C 13 55.183 0.2 . 1 . . . . . . . . 6357 1 1041 . 1 1 224 224 LEU CB C 13 46.635 0.2 . 1 . . . . . . . . 6357 1 1042 . 1 1 224 224 LEU C C 13 176.667 0.2 . 1 . . . . . . . . 6357 1 1043 . 1 1 225 225 GLY N N 15 110.565 0.2 . 1 . . . . . . . . 6357 1 1044 . 1 1 225 225 GLY H H 1 8.813 0.01 . 1 . . . . . . . . 6357 1 1045 . 1 1 226 226 PRO CA C 13 60.827 0.2 . 1 . . . . . . . . 6357 1 1046 . 1 1 226 226 PRO CB C 13 31.609 0.2 . 1 . . . . . . . . 6357 1 1047 . 1 1 226 226 PRO C C 13 176.013 0.2 . 1 . . . . . . . . 6357 1 1048 . 1 1 227 227 ASP N N 15 114.401 0.2 . 1 . . . . . . . . 6357 1 1049 . 1 1 227 227 ASP H H 1 7.937 0.01 . 1 . . . . . . . . 6357 1 1050 . 1 1 227 227 ASP CA C 13 55.063 0.2 . 1 . . . . . . . . 6357 1 1051 . 1 1 227 227 ASP CB C 13 39.325 0.2 . 1 . . . . . . . . 6357 1 1052 . 1 1 227 227 ASP C C 13 177.139 0.2 . 1 . . . . . . . . 6357 1 1053 . 1 1 228 228 GLY N N 15 100.253 0.2 . 1 . . . . . . . . 6357 1 1054 . 1 1 228 228 GLY H H 1 7.721 0.01 . 1 . . . . . . . . 6357 1 1055 . 1 1 228 228 GLY CA C 13 46.889 0.2 . 1 . . . . . . . . 6357 1 1056 . 1 1 228 228 GLY C C 13 173.389 0.2 . 1 . . . . . . . . 6357 1 1057 . 1 1 229 229 LYS N N 15 119.497 0.2 . 1 . . . . . . . . 6357 1 1058 . 1 1 229 229 LYS H H 1 7.181 0.01 . 1 . . . . . . . . 6357 1 1059 . 1 1 229 229 LYS CA C 13 52.522 0.2 . 1 . . . . . . . . 6357 1 1060 . 1 1 230 230 PRO CA C 13 62.151 0.2 . 1 . . . . . . . . 6357 1 1061 . 1 1 230 230 PRO CB C 13 31.579 0.2 . 1 . . . . . . . . 6357 1 1062 . 1 1 230 230 PRO C C 13 176.073 0.2 . 1 . . . . . . . . 6357 1 1063 . 1 1 231 231 SER N N 15 112.643 0.2 . 1 . . . . . . . . 6357 1 1064 . 1 1 231 231 SER H H 1 8.543 0.01 . 1 . . . . . . . . 6357 1 1065 . 1 1 231 231 SER CA C 13 59.074 0.2 . 1 . . . . . . . . 6357 1 1066 . 1 1 231 231 SER CB C 13 65.749 0.2 . 1 . . . . . . . . 6357 1 1067 . 1 1 231 231 SER C C 13 174.520 0.2 . 1 . . . . . . . . 6357 1 1068 . 1 1 232 232 ARG N N 15 123.085 0.2 . 1 . . . . . . . . 6357 1 1069 . 1 1 232 232 ARG H H 1 8.840 0.01 . 1 . . . . . . . . 6357 1 1070 . 1 1 232 232 ARG CA C 13 55.948 0.2 . 1 . . . . . . . . 6357 1 1071 . 1 1 232 232 ARG CB C 13 36.100 0.2 . 1 . . . . . . . . 6357 1 1072 . 1 1 232 232 ARG C C 13 174.499 0.2 . 1 . . . . . . . . 6357 1 1073 . 1 1 233 233 ILE N N 15 122.778 0.2 . 1 . . . . . . . . 6357 1 1074 . 1 1 233 233 ILE H H 1 9.243 0.01 . 1 . . . . . . . . 6357 1 1075 . 1 1 233 233 ILE CA C 13 58.807 0.2 . 1 . . . . . . . . 6357 1 1076 . 1 1 233 233 ILE CB C 13 40.835 0.2 . 1 . . . . . . . . 6357 1 1077 . 1 1 233 233 ILE C C 13 174.554 0.2 . 1 . . . . . . . . 6357 1 1078 . 1 1 234 234 VAL N N 15 126.416 0.2 . 1 . . . . . . . . 6357 1 1079 . 1 1 234 234 VAL H H 1 9.202 0.01 . 1 . . . . . . . . 6357 1 1080 . 1 1 234 234 VAL CA C 13 59.683 0.2 . 1 . . . . . . . . 6357 1 1081 . 1 1 234 234 VAL CB C 13 36.148 0.2 . 1 . . . . . . . . 6357 1 1082 . 1 1 234 234 VAL C C 13 173.547 0.2 . 1 . . . . . . . . 6357 1 1083 . 1 1 235 235 VAL N N 15 125.525 0.2 . 1 . . . . . . . . 6357 1 1084 . 1 1 235 235 VAL H H 1 8.237 0.01 . 1 . . . . . . . . 6357 1 1085 . 1 1 235 235 VAL CA C 13 60.638 0.2 . 1 . . . . . . . . 6357 1 1086 . 1 1 235 235 VAL CB C 13 35.782 0.2 . 1 . . . . . . . . 6357 1 1087 . 1 1 235 235 VAL C C 13 173.787 0.2 . 1 . . . . . . . . 6357 1 1088 . 1 1 236 236 ILE N N 15 123.209 0.2 . 1 . . . . . . . . 6357 1 1089 . 1 1 236 236 ILE H H 1 8.340 0.01 . 1 . . . . . . . . 6357 1 1090 . 1 1 236 236 ILE CA C 13 60.106 0.2 . 1 . . . . . . . . 6357 1 1091 . 1 1 236 236 ILE CB C 13 41.823 0.2 . 1 . . . . . . . . 6357 1 1092 . 1 1 236 236 ILE C C 13 174.323 0.2 . 1 . . . . . . . . 6357 1 1093 . 1 1 237 237 TYR N N 15 122.337 0.2 . 1 . . . . . . . . 6357 1 1094 . 1 1 237 237 TYR H H 1 8.736 0.01 . 1 . . . . . . . . 6357 1 1095 . 1 1 237 237 TYR CA C 13 57.228 0.2 . 1 . . . . . . . . 6357 1 1096 . 1 1 237 237 TYR CB C 13 45.422 0.2 . 1 . . . . . . . . 6357 1 1097 . 1 1 237 237 TYR C C 13 173.953 0.2 . 1 . . . . . . . . 6357 1 1098 . 1 1 238 238 THR N N 15 111.481 0.2 . 1 . . . . . . . . 6357 1 1099 . 1 1 238 238 THR H H 1 8.946 0.01 . 1 . . . . . . . . 6357 1 1100 . 1 1 238 238 THR CA C 13 59.675 0.2 . 1 . . . . . . . . 6357 1 1101 . 1 1 238 238 THR CB C 13 70.318 0.2 . 1 . . . . . . . . 6357 1 1102 . 1 1 238 238 THR C C 13 172.478 0.2 . 1 . . . . . . . . 6357 1 1103 . 1 1 239 239 THR N N 15 122.025 0.2 . 1 . . . . . . . . 6357 1 1104 . 1 1 239 239 THR H H 1 8.019 0.01 . 1 . . . . . . . . 6357 1 1105 . 1 1 239 239 THR CA C 13 63.587 0.2 . 1 . . . . . . . . 6357 1 1106 . 1 1 239 239 THR CB C 13 69.338 0.2 . 1 . . . . . . . . 6357 1 1107 . 1 1 239 239 THR C C 13 171.631 0.2 . 1 . . . . . . . . 6357 1 1108 . 1 1 240 240 GLY N N 15 114.116 0.2 . 1 . . . . . . . . 6357 1 1109 . 1 1 240 240 GLY H H 1 8.679 0.01 . 1 . . . . . . . . 6357 1 1110 . 1 1 240 240 GLY CA C 13 45.728 0.2 . 1 . . . . . . . . 6357 1 1111 . 1 1 240 240 GLY C C 13 174.889 0.2 . 1 . . . . . . . . 6357 1 1112 . 1 1 241 241 SER N N 15 114.702 0.2 . 1 . . . . . . . . 6357 1 1113 . 1 1 241 241 SER H H 1 8.363 0.01 . 1 . . . . . . . . 6357 1 1114 . 1 1 241 241 SER CA C 13 59.119 0.2 . 1 . . . . . . . . 6357 1 1115 . 1 1 241 241 SER CB C 13 65.739 0.2 . 1 . . . . . . . . 6357 1 1116 . 1 1 241 241 SER C C 13 175.992 0.2 . 1 . . . . . . . . 6357 1 1117 . 1 1 242 242 GLN N N 15 123.485 0.2 . 1 . . . . . . . . 6357 1 1118 . 1 1 242 242 GLN H H 1 8.845 0.01 . 1 . . . . . . . . 6357 1 1119 . 1 1 242 242 GLN CA C 13 55.872 0.2 . 1 . . . . . . . . 6357 1 1120 . 1 1 242 242 GLN CB C 13 29.037 0.2 . 1 . . . . . . . . 6357 1 1121 . 1 1 242 242 GLN C C 13 175.956 0.2 . 1 . . . . . . . . 6357 1 1122 . 1 1 243 243 ALA N N 15 123.444 0.2 . 1 . . . . . . . . 6357 1 1123 . 1 1 243 243 ALA H H 1 8.711 0.01 . 1 . . . . . . . . 6357 1 1124 . 1 1 243 243 ALA CA C 13 52.410 0.2 . 1 . . . . . . . . 6357 1 1125 . 1 1 243 243 ALA CB C 13 20.583 0.2 . 1 . . . . . . . . 6357 1 1126 . 1 1 243 243 ALA C C 13 178.724 0.2 . 1 . . . . . . . . 6357 1 1127 . 1 1 244 244 THR N N 15 112.909 0.2 . 1 . . . . . . . . 6357 1 1128 . 1 1 244 244 THR H H 1 8.655 0.01 . 1 . . . . . . . . 6357 1 1129 . 1 1 244 244 THR CA C 13 61.701 0.2 . 1 . . . . . . . . 6357 1 1130 . 1 1 244 244 THR CB C 13 71.004 0.2 . 1 . . . . . . . . 6357 1 1131 . 1 1 244 244 THR C C 13 175.978 0.2 . 1 . . . . . . . . 6357 1 1132 . 1 1 245 245 MET N N 15 122.533 0.2 . 1 . . . . . . . . 6357 1 1133 . 1 1 245 245 MET H H 1 9.144 0.01 . 1 . . . . . . . . 6357 1 1134 . 1 1 245 245 MET CA C 13 58.205 0.2 . 1 . . . . . . . . 6357 1 1135 . 1 1 245 245 MET CB C 13 30.995 0.2 . 1 . . . . . . . . 6357 1 1136 . 1 1 245 245 MET C C 13 177.815 0.2 . 1 . . . . . . . . 6357 1 1137 . 1 1 246 246 ASP N N 15 116.657 0.2 . 1 . . . . . . . . 6357 1 1138 . 1 1 246 246 ASP H H 1 8.452 0.01 . 1 . . . . . . . . 6357 1 1139 . 1 1 246 246 ASP CA C 13 57.847 0.2 . 1 . . . . . . . . 6357 1 1140 . 1 1 246 246 ASP CB C 13 40.649 0.2 . 1 . . . . . . . . 6357 1 1141 . 1 1 246 246 ASP C C 13 178.689 0.2 . 1 . . . . . . . . 6357 1 1142 . 1 1 247 247 GLU N N 15 120.361 0.2 . 1 . . . . . . . . 6357 1 1143 . 1 1 247 247 GLU H H 1 7.637 0.01 . 1 . . . . . . . . 6357 1 1144 . 1 1 247 247 GLU CA C 13 59.004 0.2 . 1 . . . . . . . . 6357 1 1145 . 1 1 247 247 GLU CB C 13 30.090 0.2 . 1 . . . . . . . . 6357 1 1146 . 1 1 247 247 GLU C C 13 179.327 0.2 . 1 . . . . . . . . 6357 1 1147 . 1 1 248 248 ARG N N 15 118.863 0.2 . 1 . . . . . . . . 6357 1 1148 . 1 1 248 248 ARG H H 1 8.116 0.01 . 1 . . . . . . . . 6357 1 1149 . 1 1 248 248 ARG CA C 13 60.867 0.2 . 1 . . . . . . . . 6357 1 1150 . 1 1 248 248 ARG CB C 13 31.182 0.2 . 1 . . . . . . . . 6357 1 1151 . 1 1 248 248 ARG C C 13 177.500 0.2 . 1 . . . . . . . . 6357 1 1152 . 1 1 249 249 ASN N N 15 117.029 0.2 . 1 . . . . . . . . 6357 1 1153 . 1 1 249 249 ASN H H 1 8.777 0.01 . 1 . . . . . . . . 6357 1 1154 . 1 1 249 249 ASN CA C 13 55.427 0.2 . 1 . . . . . . . . 6357 1 1155 . 1 1 249 249 ASN CB C 13 37.261 0.2 . 1 . . . . . . . . 6357 1 1156 . 1 1 249 249 ASN C C 13 176.568 0.2 . 1 . . . . . . . . 6357 1 1157 . 1 1 250 250 ARG N N 15 118.803 0.2 . 1 . . . . . . . . 6357 1 1158 . 1 1 250 250 ARG H H 1 8.026 0.01 . 1 . . . . . . . . 6357 1 1159 . 1 1 250 250 ARG CA C 13 59.310 0.2 . 1 . . . . . . . . 6357 1 1160 . 1 1 250 250 ARG CB C 13 30.151 0.2 . 1 . . . . . . . . 6357 1 1161 . 1 1 250 250 ARG C C 13 178.852 0.2 . 1 . . . . . . . . 6357 1 1162 . 1 1 251 251 GLN N N 15 114.993 0.2 . 1 . . . . . . . . 6357 1 1163 . 1 1 251 251 GLN H H 1 7.801 0.01 . 1 . . . . . . . . 6357 1 1164 . 1 1 251 251 GLN CA C 13 58.385 0.2 . 1 . . . . . . . . 6357 1 1165 . 1 1 251 251 GLN CB C 13 27.583 0.2 . 1 . . . . . . . . 6357 1 1166 . 1 1 251 251 GLN C C 13 178.488 0.2 . 1 . . . . . . . . 6357 1 1167 . 1 1 252 252 ILE N N 15 117.762 0.2 . 1 . . . . . . . . 6357 1 1168 . 1 1 252 252 ILE H H 1 7.417 0.01 . 1 . . . . . . . . 6357 1 1169 . 1 1 252 252 ILE CA C 13 65.823 0.2 . 1 . . . . . . . . 6357 1 1170 . 1 1 252 252 ILE CB C 13 36.414 0.2 . 1 . . . . . . . . 6357 1 1171 . 1 1 252 252 ILE C C 13 177.204 0.2 . 1 . . . . . . . . 6357 1 1172 . 1 1 253 253 ALA N N 15 123.423 0.2 . 1 . . . . . . . . 6357 1 1173 . 1 1 253 253 ALA H H 1 8.710 0.01 . 1 . . . . . . . . 6357 1 1174 . 1 1 253 253 ALA CA C 13 56.171 0.2 . 1 . . . . . . . . 6357 1 1175 . 1 1 253 253 ALA CB C 13 17.813 0.2 . 1 . . . . . . . . 6357 1 1176 . 1 1 253 253 ALA C C 13 180.445 0.2 . 1 . . . . . . . . 6357 1 1177 . 1 1 254 254 GLU N N 15 118.328 0.2 . 1 . . . . . . . . 6357 1 1178 . 1 1 254 254 GLU H H 1 8.428 0.01 . 1 . . . . . . . . 6357 1 1179 . 1 1 254 254 GLU CA C 13 59.762 0.2 . 1 . . . . . . . . 6357 1 1180 . 1 1 254 254 GLU CB C 13 29.796 0.2 . 1 . . . . . . . . 6357 1 1181 . 1 1 254 254 GLU C C 13 180.729 0.2 . 1 . . . . . . . . 6357 1 1182 . 1 1 255 255 ILE N N 15 123.554 0.2 . 1 . . . . . . . . 6357 1 1183 . 1 1 255 255 ILE H H 1 8.035 0.01 . 1 . . . . . . . . 6357 1 1184 . 1 1 255 255 ILE CA C 13 66.601 0.2 . 1 . . . . . . . . 6357 1 1185 . 1 1 255 255 ILE CB C 13 38.068 0.2 . 1 . . . . . . . . 6357 1 1186 . 1 1 255 255 ILE C C 13 177.968 0.2 . 1 . . . . . . . . 6357 1 1187 . 1 1 256 256 GLY N N 15 106.155 0.2 . 1 . . . . . . . . 6357 1 1188 . 1 1 256 256 GLY H H 1 8.360 0.01 . 1 . . . . . . . . 6357 1 1189 . 1 1 256 256 GLY CA C 13 47.708 0.2 . 1 . . . . . . . . 6357 1 1190 . 1 1 256 256 GLY C C 13 173.952 0.2 . 1 . . . . . . . . 6357 1 1191 . 1 1 257 257 ALA N N 15 122.405 0.2 . 1 . . . . . . . . 6357 1 1192 . 1 1 257 257 ALA H H 1 8.633 0.01 . 1 . . . . . . . . 6357 1 1193 . 1 1 257 257 ALA CA C 13 55.321 0.2 . 1 . . . . . . . . 6357 1 1194 . 1 1 257 257 ALA CB C 13 17.806 0.2 . 1 . . . . . . . . 6357 1 1195 . 1 1 257 257 ALA C C 13 180.171 0.2 . 1 . . . . . . . . 6357 1 1196 . 1 1 258 258 SER N N 15 113.514 0.2 . 1 . . . . . . . . 6357 1 1197 . 1 1 258 258 SER H H 1 7.493 0.01 . 1 . . . . . . . . 6357 1 1198 . 1 1 258 258 SER CA C 13 61.810 0.2 . 1 . . . . . . . . 6357 1 1199 . 1 1 258 258 SER CB C 13 63.091 0.2 . 1 . . . . . . . . 6357 1 1200 . 1 1 258 258 SER C C 13 176.257 0.2 . 1 . . . . . . . . 6357 1 1201 . 1 1 259 259 LEU N N 15 122.971 0.2 . 1 . . . . . . . . 6357 1 1202 . 1 1 259 259 LEU H H 1 8.211 0.01 . 1 . . . . . . . . 6357 1 1203 . 1 1 259 259 LEU CA C 13 58.144 0.2 . 1 . . . . . . . . 6357 1 1204 . 1 1 259 259 LEU CB C 13 40.964 0.2 . 1 . . . . . . . . 6357 1 1205 . 1 1 259 259 LEU C C 13 178.866 0.2 . 1 . . . . . . . . 6357 1 1206 . 1 1 260 260 ILE N N 15 118.290 0.2 . 1 . . . . . . . . 6357 1 1207 . 1 1 260 260 ILE H H 1 7.969 0.01 . 1 . . . . . . . . 6357 1 1208 . 1 1 260 260 ILE CA C 13 63.764 0.2 . 1 . . . . . . . . 6357 1 1209 . 1 1 260 260 ILE CB C 13 37.524 0.2 . 1 . . . . . . . . 6357 1 1210 . 1 1 260 260 ILE C C 13 178.489 0.2 . 1 . . . . . . . . 6357 1 1211 . 1 1 261 261 LYS N N 15 121.285 0.2 . 1 . . . . . . . . 6357 1 1212 . 1 1 261 261 LYS H H 1 8.117 0.01 . 1 . . . . . . . . 6357 1 1213 . 1 1 261 261 LYS CA C 13 59.087 0.2 . 1 . . . . . . . . 6357 1 1214 . 1 1 261 261 LYS CB C 13 32.587 0.2 . 1 . . . . . . . . 6357 1 1215 . 1 1 261 261 LYS C C 13 177.968 0.2 . 1 . . . . . . . . 6357 1 1216 . 1 1 262 262 HIS N N 15 114.378 0.2 . 1 . . . . . . . . 6357 1 1217 . 1 1 262 262 HIS H H 1 7.618 0.01 . 1 . . . . . . . . 6357 1 1218 . 1 1 262 262 HIS CA C 13 55.030 0.2 . 1 . . . . . . . . 6357 1 1219 . 1 1 262 262 HIS CB C 13 28.055 0.2 . 1 . . . . . . . . 6357 1 1220 . 1 1 262 262 HIS C C 13 173.667 0.2 . 1 . . . . . . . . 6357 1 1221 . 1 1 263 263 TRP N N 15 128.921 0.2 . 1 . . . . . . . . 6357 1 1222 . 1 1 263 263 TRP H H 1 7.254 0.01 . 1 . . . . . . . . 6357 1 1223 . 1 1 263 263 TRP CA C 13 62.405 0.2 . 1 . . . . . . . . 6357 1 stop_ save_