data_6016 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6016 _Entry.Title ; Backbone resonance assignments of the 45.3 kDa catalytic domain of human BACE1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-11-19 _Entry.Accession_date 2003-11-21 _Entry.Last_release_date 2004-07-08 _Entry.Original_release_date 2004-07-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dingjiang Liu . . . 6016 2 Yu-sen Wang . . . 6016 3 Jennifer Gesell . J. . 6016 4 Eileen Wilson . . . 6016 5 Brian Beyer . M. . 6016 6 Daniel Wyss . . . 6016 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6016 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 319 6016 '13C chemical shifts' 917 6016 '15N chemical shifts' 324 6016 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 . . 2004-07-08 2003-11-19 original author . 6016 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6016 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone resonance assignments of the 45.3 kDa catalytic domain of human BACE1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 425 _Citation.Page_last 426 _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 Dingjiang Liu . . . 6016 1 2 Yu-sen Wang . . . 6016 1 3 Jennifer Gesell . J. . 6016 1 4 Eileen Wilson . . . 6016 1 5 Brian Beyer . M. . 6016 1 6 Daniel Wyss . F. . 6016 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR assignments' 6016 1 'Alzheimer's disease' 6016 1 BACE 6016 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_BACE1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_BACE1 _Assembly.Entry_ID 6016 _Assembly.ID 1 _Assembly.Name 'beta-site APP Cleaving Enzyme 1' _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 . _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 6016 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 'BACE1 monomer' 1 $BACE1_monomer . . . native . . . . . 6016 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 169 169 SG . 1 . 1 CYS 373 373 SG . . . . . . . . . . 6016 1 2 disulfide single . 1 . 1 CYS 283 283 SG . 1 . 1 CYS 333 333 SG . . . . . . . . . . 6016 1 3 disulfide single . 1 . 1 CYS 231 231 SG . 1 . 1 CYS 396 396 SG . . . . . . . . . . 6016 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 1M4H . . . . . '1M4H is a crystal structure of BACE/inhibitor complex.' 6016 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'beta-site APP Cleaving Enzyme 1' system 6016 1 BACE1 abbreviation 6016 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'membrane-associated aspartic protease' 6016 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BACE1_monomer _Entity.Sf_category entity _Entity.Sf_framecode BACE1_monomer _Entity.Entry_ID 6016 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'beta-site APP Cleaving Enzyme 1' _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 ; DEEPEEPGRRGSFVEMVDNL RGKSGQGYYVEMTVGSPPQT LNILVDTGSSNFAVGAAPHP FLHRYYQRQLSSTYRDLRKG VYVPYTQGKWEGELGTDLVS IPHGPNVTVRANIAAITESD KFFINGSNWEGILGLAYAEI ARPDDSLEPFFDSLVKQTHV PNLFSLQLCGAGFPLNQSEV LASVGGSMIIGGIDHSLYTG SLWYTPIRREWYYEVIIVRV EINGQDLKMDCKEYNYDKSI VDSGTTNLRLPKKVFEAAVK SIKAASSTEKFPDGFWLGEQ LVCWQAGTTPWNIFPVISLY LMGEVTNQSFRITILPQQYL RPVEDVATSQDDCYKFAISQ SSTGTVMGAVIMEGFYVVFD RARKRIGFAVSACHVHDEFR TAAVEGPFVTLDMEDCGYNI PQTDEST ; _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 407 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 1FKN . "Structure Of Beta-Secretase Complexed With Inhibitor" . . . . . 96.07 391 100.00 100.00 0.00e+00 . . . . 6016 1 2 no PDB 1M4H . "Crystal Structure Of Beta-Secretase Complexed With Inhibitor Om00-3" . . . . . 96.07 391 100.00 100.00 0.00e+00 . . . . 6016 1 3 no PDB 1SGZ . "Crystal Structure Of Unbound Beta-Secretase Catalytic Domain." . . . . . 95.58 389 100.00 100.00 0.00e+00 . . . . 6016 1 4 no PDB 1TQF . "Crystal Structure Of Human Beta Secretase Complexed With Inhibitor" . . . . . 98.03 405 99.50 99.50 0.00e+00 . . . . 6016 1 5 no PDB 1W50 . "Apo Structure Of Bace (beta Secretase)" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 6 no PDB 1W51 . "Bace (Beta Secretase) In Complex With A Nanomolar Non- Peptidic Inhibitor" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 7 no PDB 1XN2 . "New Substrate Binding Pockets For Beta-Secretase." . . . . . 95.58 389 100.00 100.00 0.00e+00 . . . . 6016 1 8 no PDB 1XN3 . "Crystal Structure Of Beta-Secretase Bound To A Long Inhibitor With Additional Upstream Residues." . . . . . 95.58 389 100.00 100.00 0.00e+00 . . . . 6016 1 9 no PDB 1XS7 . "Crystal Structure Of A Cycloamide-Urethane-Derived Novel Inhibitor Bound To Human Brain Memapsin 2 (Beta-Secretase)." . . . . . 95.58 389 100.00 100.00 0.00e+00 . . . . 6016 1 10 no PDB 1YM2 . "Crystal Structure Of Human Beta Secretase Complexed With Nvp-Aur200" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 11 no PDB 1YM4 . "Crystal Structure Of Human Beta Secretase Complexed With Nvp-Amk640" . . . . . 99.75 408 100.00 100.00 0.00e+00 . . . . 6016 1 12 no PDB 2B8L . "Crystal Structure Of Human Beta Secretase Complexed With Inhibitor" . . . . . 98.03 405 99.50 99.50 0.00e+00 . . . . 6016 1 13 no PDB 2B8V . "Crystal Structure Of Human Beta-Secretase Complexed With L- L000430,469" . . . . . 98.03 405 99.50 99.50 0.00e+00 . . . . 6016 1 14 no PDB 2F3E . "Crystal Structure Of The Bace Complex With Axq093, A Macrocyclic Inhibitor" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 15 no PDB 2F3F . "Crystal Structure Of The Bace Complex With Bdf488, A Macrocyclic Inhibitor" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 16 no PDB 2FDP . "Crystal Structure Of Beta-Secretase Complexed With An Amino- Ethylene Inhibitor" . . . . . 95.33 388 100.00 100.00 0.00e+00 . . . . 6016 1 17 no PDB 2G94 . "Crystal Structure Of Beta-secretase Bound To A Potent And Highly Selective Inhibitor." . . . . . 95.58 389 100.00 100.00 0.00e+00 . . . . 6016 1 18 no PDB 2HIZ . "Crystal Structure Of Human Beta-Secretase (Bace) In The Presence Of An Inhibitor" . . . . . 99.75 455 100.00 100.00 0.00e+00 . . . . 6016 1 19 no PDB 2HM1 . "Crystal Structure Of Human Beta-Secretase (Bace) In The Presence Of An Inhibitor (2)" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 20 no PDB 2IQG . "Crystal Structure Of Hydroxyethyl Secondary Amine-Based Peptidomimetic Inhibitor Of Human Beta-Secretase (Bace)" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 21 no PDB 2IRZ . "Crystal Structure Of Human Beta-Secretase Complexed With Inhibitor" . . . . . 98.03 405 99.50 99.50 0.00e+00 . . . . 6016 1 22 no PDB 2IS0 . "Crystal Structure Of Human Beta-Secretase Complexed With Inhibitor" . . . . . 98.03 405 99.50 99.50 0.00e+00 . . . . 6016 1 23 no PDB 2NTR . "Crystal Structure Of Human Bace-1 Bound To Inhibitor" . . . . . 98.03 405 99.50 99.50 0.00e+00 . . . . 6016 1 24 no PDB 2OAH . "Crystal Structure Of Human Beta Secretase Complexed With Inhibitor" . . . . . 98.03 405 99.50 99.50 0.00e+00 . . . . 6016 1 25 no PDB 2OF0 . "X-Ray Crystal Structure Of Beta Secretase Complexed With Compound 5" . . . . . 98.03 402 99.50 100.00 0.00e+00 . . . . 6016 1 26 no PDB 2OHK . "X-Ray Crystal Structure Of Beta Secretase Complexed With 1- Amino-Isoquinoline" . . . . . 98.03 402 99.50 100.00 0.00e+00 . . . . 6016 1 27 no PDB 2OHL . "X-Ray Crystal Structure Of Beta Secretase Complexed With 2- Aminoquinoline" . . . . . 98.03 402 99.50 100.00 0.00e+00 . . . . 6016 1 28 no PDB 2OHM . "X-Ray Crystal Structure Of Beta Secretase Complexed With N~3~-Benzylpyridine-2,3-Diamine" . . . . . 98.03 402 99.50 100.00 0.00e+00 . . . . 6016 1 29 no PDB 2OHN . "X-Ray Crystal Structure Of Beta Secretase Complexed With 4- (4-Fluorobenzyl)piperidine" . . . . . 98.03 402 99.50 100.00 0.00e+00 . . . . 6016 1 30 no PDB 2OHP . "X-ray Crystal Structure Of Beta Secretase Complexed With Compound 3" . . . . . 98.03 402 99.50 100.00 0.00e+00 . . . . 6016 1 31 no PDB 2OHQ . "X-Ray Crystal Structure Of Beta Secretase Complexed With Compound 4" . . . . . 98.03 402 99.50 100.00 0.00e+00 . . . . 6016 1 32 no PDB 2OHR . "X-Ray Crystal Structure Of Beta Secretase Complexed With Compound 6a" . . . . . 98.03 402 99.50 100.00 0.00e+00 . . . . 6016 1 33 no PDB 2OHS . "X-Ray Crystal Structure Of Beta Secretase Complexed With Compound 6b" . . . . . 98.03 402 99.50 100.00 0.00e+00 . . . . 6016 1 34 no PDB 2OHT . "X-Ray Crystal Structure Of Beta Secretase Complexed With Compound 7" . . . . . 98.03 402 99.50 100.00 0.00e+00 . . . . 6016 1 35 no PDB 2OHU . "X-Ray Crystal Structure Of Beta Secretase Complexed With Compound 8b" . . . . . 98.03 402 99.50 100.00 0.00e+00 . . . . 6016 1 36 no PDB 2P4J . "Crystal Structure Of Beta-Secretase Bond To An Inhibitor With Isophthalamide Derivatives At P2-P3" . . . . . 95.58 389 100.00 100.00 0.00e+00 . . . . 6016 1 37 no PDB 2P83 . "Potent And Selective Isophthalamide S2 Hydroxyethylamine Inhibitor Of Bace1" . . . . . 99.75 455 100.00 100.00 0.00e+00 . . . . 6016 1 38 no PDB 2P8H . "Crystal Structure Of Human Beta Secretase Complexed With Inhibitor" . . . . . 98.03 405 99.50 99.50 0.00e+00 . . . . 6016 1 39 no PDB 2PH6 . "Crystal Structure Of Human Beta Secretase Complexed With Inhibitor" . . . . . 98.03 405 99.50 99.50 0.00e+00 . . . . 6016 1 40 no PDB 2PH8 . "Crystal Structure Of Human Beta Secretase Complexed With Inhibitor" . . . . . 98.03 405 99.50 99.50 0.00e+00 . . . . 6016 1 41 no PDB 2Q11 . "Structure Of Bace Complexed To Compound 1" . . . . . 95.33 388 98.97 98.97 0.00e+00 . . . . 6016 1 42 no PDB 2Q15 . "Structure Of Bace Complexed To Compound 3a" . . . . . 94.59 385 98.96 98.96 0.00e+00 . . . . 6016 1 43 no PDB 2QK5 . "Structure Of Bace1 Bound To Sch626485" . . . . . 96.56 395 100.00 100.00 0.00e+00 . . . . 6016 1 44 no PDB 2QMD . "Structure Of Bace Bound To Sch722924" . . . . . 96.56 395 100.00 100.00 0.00e+00 . . . . 6016 1 45 no PDB 2QMF . "Structure Of Bace Bound To Sch735310" . . . . . 96.56 395 100.00 100.00 0.00e+00 . . . . 6016 1 46 no PDB 2QMG . "Structure Of Bace Bound To Sch745966" . . . . . 96.56 395 100.00 100.00 0.00e+00 . . . . 6016 1 47 no PDB 2QP8 . "Structure Of Bace Bound To Sch734723" . . . . . 96.56 395 100.00 100.00 0.00e+00 . . . . 6016 1 48 no PDB 2QU2 . "Bace1 With Compound 1" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 49 no PDB 2QU3 . "Bace1 With Compound 2" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 50 no PDB 2QZK . "Crystal Structure Of Human Beta Secretase Complexed With I21" . . . . . 98.03 405 99.50 99.50 0.00e+00 . . . . 6016 1 51 no PDB 2QZL . "Crystal Structure Of Human Beta Secretase Complexed With Ixs" . . . . . 98.03 411 99.50 99.50 0.00e+00 . . . . 6016 1 52 no PDB 2VA5 . "X-Ray Crystal Structure Of Beta Secretase Complexed With Compound 8c" . . . . . 99.75 455 99.51 100.00 0.00e+00 . . . . 6016 1 53 no PDB 2VA6 . "X-Ray Crystal Structure Of Beta Secretase Complexed With Compound 24" . . . . . 99.75 455 99.51 100.00 0.00e+00 . . . . 6016 1 54 no PDB 2VA7 . "X-Ray Crystal Structure Of Beta Secretase Complexed With Compound 27" . . . . . 99.75 455 99.51 100.00 0.00e+00 . . . . 6016 1 55 no PDB 2VIE . "Human Bace-1 In Complex With N-((1s,2r)-1-Benzyl-2-Hydroxy- 3-((1,1,5-Trimethylhexyl)amino)propyl)-3-(Ethylamino)-5-(2- Oxopyrr" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 56 no PDB 2VIJ . "Human Bace-1 In Complex With 3-(1,1-Dioxidotetrahydro-2h-1, 2-Thiazin-2-Yl)-5-(Ethylamino)-N-((1s,2r)-2-Hydroxy-1-( Phenylmethy" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 57 no PDB 2VIY . "Human Bace-1 In Complex With N-((1s,2r)-3-(((1s)-2-( Cyclohexylamino)-1-Methyl-2-Oxoethyl)amino)-2-Hydroxy-1-( Phenylmethyl)pro" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 58 no PDB 2VIZ . "Human Bace-1 In Complex With N-((1s,2r)-3-(((1s)-2-( Cyclohexylamino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-( Phenylmethyl)pro" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 59 no PDB 2VJ6 . "Human Bace-1 In Complex With N-((1s,2r)-3-(((1s)-2-( Cyclohexylamino)-1-Methyl-2-Oxoethyl)amino)-2-Hydroxy-1-( Phenylmethyl)pro" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 60 no PDB 2VJ7 . "Human Bace-1 In Complex With 3-(Ethylamino)-N-((1s,2r)-2- Hydroxy-1-(Phenylmethyl)-3-(((3-(Trifluoromethyl)phenyl) Methyl)amino" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 61 no PDB 2VJ9 . "Human Bace-1 In Complex With N-((1s,2r)-3-(Cyclohexylamino)- 2-Hydroxy-1-(Phenylmethyl)propyl)-3-(Ethylamino)-5-(2-Oxo- 1-Pyrro" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 62 no PDB 2VKM . "Crystal Structure Of Grl-8234 Bound To Bace (Beta-Secretase)" . . . . . 95.58 389 100.00 100.00 0.00e+00 . . . . 6016 1 63 no PDB 2VNM . "Human Bace-1 In Complex With 3-(1,1-Dioxidotetrahydro-2h-1, 2-Thiazin-2-Yl)-5-(Ethylamino)-N-((1s,2r)-2-Hydroxy-1-( Phenylmethy" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 64 no PDB 2VNN . "Human Bace-1 In Complex With 7-Ethyl-N-((1s,2r)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)phenyl)methyl)amino) Propyl" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 65 no PDB 2WEZ . "Human Bace-1 In Complex With 1-Ethyl-N-((1s,2r)-2-Hydroxy-3- (((3-(Methyloxy)phenyl)methyl)amino)-1-(Phenylmethyl) Propyl)-4-(2" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 66 no PDB 2WF0 . "Human Bace-1 In Complex With 4-Ethyl-N-((1s,2r)-2-Hydroxy-1- (Phenylmethyl)-3-(((3-(Trifluoromethyl)phenyl)methyl)amino) Propyl" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 67 no PDB 2WF1 . "Human Bace-1 In Complex With 7-Ethyl-N-((1s,2r)-2-Hydroxy-3- (((3-(Methyloxy)phenyl(Methyl)amino)-1-(Phenylmethyl) Propyl)-1-Me" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 68 no PDB 2WF2 . "Human Bace-1 In Complex With 8-Ethyl-N-((1s,2r)-2-Hydroxy-3- (((3-(Methyloxy)phenyl)methyl)amino)-1-(Phenylmethyl) Propyl)-1-Me" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 69 no PDB 2WF3 . "Human Bace-1 In Complex With 6-(Ethylamino)-N-((1s,2r)-2- Hydroxy-3-(((3-(Methyloxy)phenyl)methyl)amino)-1-( Phenylmethyl)propy" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 70 no PDB 2WF4 . "Human Bace-1 In Complex With 6-Ethyl-1-Methyl-N-((1s)-2-Oxo- 1-(Phenylmethyl)-3-(Tetrahydro-2h-Pyran-4-Ylamino)propyl)- 1,3,4,6" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 71 no PDB 2WJO . "Human Bace (Beta Secretase) In Complex With Cyclohexanecarboxylic Acid (2-(2-Am Ino-6-Phenoxy-4h- Quinazolin-3-Yl)-2-Cyclohexyl" . . . . . 97.54 412 100.00 100.00 0.00e+00 . . . . 6016 1 72 no PDB 2XFI . "Human Bace-1 In Complex With N-((1s,2r)-3-(((1s)-2-( Cyclohexylamino)-1-Methyl-2-Oxoethyl)amino)-2-Hydroxy-1-( Phenylmethyl)pro" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 73 no PDB 2XFJ . "Human Bace-1 In Complex With N-((1s,2r)-3-(((1s)-2-( Cyclohexylamino)-1-Methyl-2-Oxoethyl)amino)-2-Hydroxy-1-( Phenylmethyl)pro" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 74 no PDB 2XFK . "Human Bace-1 In Complex With N-((1s,2r)-3-(((1s)-2-( Cyclohexylamino)-1-Methyl-2-Oxoethyl)amino)-2-Hydroxy-1-( Phenylmethyl)pro" . . . . . 96.31 392 98.98 98.98 0.00e+00 . . . . 6016 1 75 no PDB 2ZDZ . "X-Ray Structure Of Bace-1 In Complex With Compound 3.B.10" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 76 no PDB 2ZE1 . "X-Ray Structure Of Bace-1 In Complex With Compound 6g" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 77 no PDB 2ZHR . "Crystal Structure Of Bace1 In Complex With Om99-2 At Ph 5.0" . . . . . 100.00 411 100.00 100.00 0.00e+00 . . . . 6016 1 78 no PDB 2ZHS . "Crystal Structure Of Bace1 At Ph 4.0" . . . . . 100.00 411 100.00 100.00 0.00e+00 . . . . 6016 1 79 no PDB 2ZHT . "Crystal Structure Of Bace1 At Ph 4.5" . . . . . 100.00 411 100.00 100.00 0.00e+00 . . . . 6016 1 80 no PDB 2ZHU . "Crystal Structure Of Bace1 At Ph 5.0" . . . . . 100.00 411 100.00 100.00 0.00e+00 . . . . 6016 1 81 no PDB 2ZHV . "Crystal Structure Of Bace1 At Ph 7.0" . . . . . 100.00 411 100.00 100.00 0.00e+00 . . . . 6016 1 82 no PDB 2ZJH . "Crystal Structure Of The Human Bace1 Catalytic Domain In Complex With N-(1-Benzyl-Piperidin-4-Yl)-4-Mercapto-Butyramide" . . . . . 98.03 405 99.75 99.75 0.00e+00 . . . . 6016 1 83 no PDB 2ZJI . "Crystal Structure Of The Human Bace1 Catalytic Domain In Complex With N-[1-(2,6-Dimethoxy-Benzyl)-Piperidin-4-Yl]-4-Mercapto-Bu" . . . . . 98.03 405 99.75 99.75 0.00e+00 . . . . 6016 1 84 no PDB 2ZJJ . "Crystal Structure Of The Human Bace1 Catalytic Domain In Complex With 4-(4-Fluoro-Benzyl)-Piperazine-2-Carboxylic Acid (2-Merca" . . . . . 98.03 405 99.25 99.25 0.00e+00 . . . . 6016 1 85 no PDB 2ZJK . "Crystal Structure Of The Human Bace1 Catalytic Domain In Complex With 4-(4-Fluoro-Benzyl)-Piperazine-2-Carboxylic Acid(3-Mercap" . . . . . 98.03 405 99.75 99.75 0.00e+00 . . . . 6016 1 86 no PDB 2ZJL . "Crystal Structure Of The Human Bace1 Catalytic Domain In Complex With N-[1-(5-Bromo-2,3-Dimethoxy-Benzyl)-Piperidin- 4-Yl]-4-Me" . . . . . 98.03 405 99.75 99.75 0.00e+00 . . . . 6016 1 87 no PDB 2ZJM . "Crystal Structure Of The Human Bace1 Catalytic Domain In Complex With N-[1-(5-Chloro-2-Isopropoxy-3-Methoxy-Benzyl)- Piperidin-" . . . . . 98.03 405 99.50 99.50 0.00e+00 . . . . 6016 1 88 no PDB 2ZJN . "Crystal Structure Of The Human Bace1 Catalytic Domain In Complex With N-[1-(5-Chloro-2-Isopropoxy-3-Methoxy-Benzyl)- Piperidin-" . . . . . 98.03 405 100.00 100.00 0.00e+00 . . . . 6016 1 89 no PDB 3BRA . "Bace-1 Complexed With Compound 1" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 90 no PDB 3BUF . "Bace-1 Complexed With Compound 2" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 91 no PDB 3BUG . "Bace-1 Complexed With Compound 3" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 92 no PDB 3BUH . "Bace-1 Complexed With Compound 4" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 93 no PDB 3CIB . "Structure Of Bace Bound To Sch727596" . . . . . 95.82 390 100.00 100.00 0.00e+00 . . . . 6016 1 94 no PDB 3CIC . "Structure Of Bace Bound To Sch709583" . . . . . 95.82 390 100.00 100.00 0.00e+00 . . . . 6016 1 95 no PDB 3CID . "Structure Of Bace Bound To Sch726222" . . . . . 95.82 390 100.00 100.00 0.00e+00 . . . . 6016 1 96 no PDB 3CKP . "Crystal Structure Of Bace-1 In Complex With Inhibitor" . . . . . 100.00 412 99.51 100.00 0.00e+00 . . . . 6016 1 97 no PDB 3CKR . "Crystal Structure Of Bace-1 In Complex With Inhibitor" . . . . . 100.00 412 99.51 100.00 0.00e+00 . . . . 6016 1 98 no PDB 3DM6 . "Beta-Secretase 1 Complexed With Statine-Based Inhibitor" . . . . . 98.03 406 100.00 100.00 0.00e+00 . . . . 6016 1 99 no PDB 3DUY . "Crystal Structure Of Human Beta-Secretase In Complex With Nvp-Afj144" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 100 no PDB 3DV1 . "Crystal Structure Of Human Beta-Secretase In Complex With Nvp-Arv999" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 101 no PDB 3DV5 . "Crystal Structure Of Human Beta-Secretase In Complex With Nvp-Bav544" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 102 no PDB 3EXO . "Crystal Structure Of Bace1 Bound To Inhibitor" . . . . . 100.00 413 99.51 99.51 0.00e+00 . . . . 6016 1 103 no PDB 3FKT . "Crystal Structure Of Human Beta Secretase Complexed With Spiropiperdine Iminohydantoin Inhibitor" . . . . . 98.03 405 99.50 99.50 0.00e+00 . . . . 6016 1 104 no PDB 3H0B . "Discovery Of Aminoheterocycles As A Novel Beta-Secretase Inhibitor Class" . . . . . 98.03 405 100.00 100.00 0.00e+00 . . . . 6016 1 105 no PDB 3HVG . "Structure Of Bace (Beta Secretase) In Complex With Ev0" . . . . . 99.75 411 99.51 99.75 0.00e+00 . . . . 6016 1 106 no PDB 3HW1 . "Structure Of Bace (Beta Secretase) In Complex With Ligand Ev2" . . . . . 99.75 411 99.51 99.75 0.00e+00 . . . . 6016 1 107 no PDB 3I25 . "Potent Beta-Secretase 1 Hydroxyethylene Inhibitor" . . . . . 98.03 406 100.00 100.00 0.00e+00 . . . . 6016 1 108 no PDB 3IGB . "Bace-1 With Compound 3" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 109 no PDB 3IN3 . "Bace1 With Compound 30" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 110 no PDB 3IN4 . "Bace1 With Compound 38" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 111 no PDB 3IND . "Bace1 With The Aminohydantoin Compound 29" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 112 no PDB 3INE . "Bace1 With The Aminohydantoin Compound S-34" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 113 no PDB 3INF . "Bace1 With The Aminohydantoin Compound 37" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 114 no PDB 3INH . "Bace1 With The Aminohydantoin Compound R-58" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 115 no PDB 3IVH . "Design And Synthesis Of Potent Bace-1 Inhibitors With Cellular Activity: Structure-Activity Relationship Of P1 Substituents" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 116 no PDB 3IVI . "Design And Synthesis Of Potent Bace-1 Inhibitors With Cellular Activity: Structure-Activity Relationship Of P1 Substituents" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 117 no PDB 3IXJ . "Crystal Structure Of Beta-Secretase 1 In Complex With Selective Beta-Secretase 1 Inhibitor" . . . . . 95.33 388 100.00 100.00 0.00e+00 . . . . 6016 1 118 no PDB 3IXK . "Potent Beta-Secretase 1 Inhibitor" . . . . . 98.03 405 100.00 100.00 0.00e+00 . . . . 6016 1 119 no PDB 3K5C . "Human Bace-1 Complex With Nb-216" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 120 no PDB 3K5D . "Crystal Structure Of Bace-1 In Complex With Ahm178" . . . . . 99.75 408 100.00 100.00 0.00e+00 . . . . 6016 1 121 no PDB 3K5F . "Human Bace-1 Complex With Ayh011" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 122 no PDB 3K5G . "Human Bace-1 Complex With Bjc060" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 123 no PDB 3KMX . "Structure Of Bace Bound To Sch346572" . . . . . 97.05 395 100.00 100.00 0.00e+00 . . . . 6016 1 124 no PDB 3KMY . "Structure Of Bace Bound To Sch12472" . . . . . 97.05 395 100.00 100.00 0.00e+00 . . . . 6016 1 125 no PDB 3KN0 . "Structure Of Bace Bound To Sch708236" . . . . . 97.05 395 100.00 100.00 0.00e+00 . . . . 6016 1 126 no PDB 3KYR . "Bace-1 In Complex With A Norstatine Type Inhibitor" . . . . . 98.03 405 100.00 100.00 0.00e+00 . . . . 6016 1 127 no PDB 3L38 . "Bace1 In Complex With The Aminopyridine Compound 44" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 128 no PDB 3L3A . "Bace-1 With The Aminopyridine Compound 32" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 129 no PDB 3L58 . "Structure Of Bace Bound To Sch589432" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 130 no PDB 3L59 . "Structure Of Bace Bound To Sch710413" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 131 no PDB 3L5B . "Structure Of Bace Bound To Sch713601" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 132 no PDB 3L5C . "Structure Of Bace Bound To Sch723871" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 133 no PDB 3L5D . "Structure Of Bace Bound To Sch723873" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 134 no PDB 3L5E . "Structure Of Bace Bound To Sch736062" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 135 no PDB 3L5F . "Structure Of Bace Bound To Sch736201" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 136 no PDB 3LHG . "Bace1 In Complex With The Aminohydantoin Compound 4g" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 137 no PDB 3LNK . "Structure Of Bace Bound To Sch743813" . . . . . 97.05 395 100.00 100.00 0.00e+00 . . . . 6016 1 138 no PDB 3LPI . "Structure Of Bace Bound To Sch745132" . . . . . 100.00 455 100.00 100.00 0.00e+00 . . . . 6016 1 139 no PDB 3LPJ . "Structure Of Bace Bound To Sch743641" . . . . . 100.00 455 100.00 100.00 0.00e+00 . . . . 6016 1 140 no PDB 3LPK . "Structure Of Bace Bound To Sch747123" . . . . . 100.00 455 100.00 100.00 0.00e+00 . . . . 6016 1 141 no PDB 3MSJ . "Structure Of Bace (Beta Secretase) In Complex With Inhibitor" . . . . . 99.75 411 99.51 99.75 0.00e+00 . . . . 6016 1 142 no PDB 3MSK . "Fragment Based Discovery And Optimisation Of Bace-1 Inhibitors" . . . . . 99.75 408 100.00 100.00 0.00e+00 . . . . 6016 1 143 no PDB 3MSL . "Fragment Based Discovery And Optimisation Of Bace-1 Inhibitors" . . . . . 99.75 408 100.00 100.00 0.00e+00 . . . . 6016 1 144 no PDB 3N4L . "Bace-1 In Complex With Eln380842" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 145 no PDB 3NSH . "Bace-1 In Complex With Eln475957" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 146 no PDB 3OHF . "Crystal Structure Of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex With Bms-655295 Aka N~3~-((1s,2r)-1- Benzyl-2-Hydroxy-3-" . . . . . 100.00 455 100.00 100.00 0.00e+00 . . . . 6016 1 147 no PDB 3OHH . "Crystal Structure Of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex With Bms-681889 Aka N~1~-Butyl-5-Cyano- N~3~-((1s,2r)-1-" . . . . . 100.00 455 100.00 100.00 0.00e+00 . . . . 6016 1 148 no PDB 3OOZ . "Bace1 In Complex With The Aminohydantoin Compound 102" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 149 no PDB 3PI5 . "Crystal Structure Of Human Beta Secretase In Complex With Bfg356" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 150 no PDB 3QBH . "Structure Based Design, Synthesis And Sar Of Cyclic Hydroxyethylamine (Hea) Bace-1 Inhibitors" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 151 no PDB 3QI1 . "Design And Synthesis Of Hydroxyethylamine (hea) Bace-1 Inhibitors: Prime Side Chromane-containing Inhibitors" . . . . . 99.75 408 99.51 99.51 0.00e+00 . . . . 6016 1 152 no PDB 3R1G . "Structure Basis Of Allosteric Inhibition Of Bace1 By An Exosite- Binding Antibody" . . . . . 98.03 402 99.75 99.75 0.00e+00 . . . . 6016 1 153 no PDB 3R2F . "Crystal Structure Of Beta-site App-cleaving Enzyme 1 (bace-wt) Complex With Bms-693391 Aka (2s)-2-((3r)-3-acetamido-3-isobutyl-" . . . . . 100.00 455 100.00 100.00 0.00e+00 . . . . 6016 1 154 no PDB 3RSV . "Structure Of Bace-1 (Beta-Secretase) In Complex With (R)-3-(2-Amino-6- O-Tolylquinolin-3-Yl)-N-((R)-2,2-Dimethyltetrahydro-2h-P" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 155 no PDB 3RSX . "Structure Of Bace-1 (Beta-Secretase) In Complex With 6-(Thiophen-3- Yl)quinolin-2-Amine" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 156 no PDB 3RTH . "Structure Of Bace-1 (Beta-Secretase) In Complex With 6-(2-(3,3- Dimethylbut-1-Ynyl)phenyl)quinolin-2-Amine" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 157 no PDB 3RTM . "Structure Of Bace-1 (Beta-Secretase) In Complex With 3-(2- Aminoquinolin-3-Yl)-N-Cyclohexyl-N-Methylpropanamide" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 158 no PDB 3RTN . "Structure Of Bace-1 (Beta-Secretase) In Complex With 3-(2-Amino-6-O- Tolylquinolin-3-Yl)-N-Cyclohexylpropanamide" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 159 no PDB 3RU1 . "Structure Of Bace-1 (Beta-Secretase) In Complex With 3-(2- Aminoquinolin-3-Yl)-N-(Cyclohexylmethyl)propanamide" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 160 no PDB 3RVI . "Structure Of Bace-1 (Beta-Secretase) In Complex With 2-((2-Amino-6-O- Tolylquinolin-3-Yl)methyl)-N-(Cyclohexylmethyl)pentanamid" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 161 no PDB 3S2O . "Fragment Based Discovery And Optimisation Of Bace-1 Inhibitors" . . . . . 99.75 408 100.00 100.00 0.00e+00 . . . . 6016 1 162 no PDB 3S7L . "Pyrazolyl And Thienyl Aminohydantoins As Potent Bace1 Inhibitors" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 163 no PDB 3S7M . "Pyrazolyl And Thienyl Aminohydantoins As Potent Bace1 Inhibitors" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 6016 1 164 no PDB 3SKF . "Crystal Structure Of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex With (2s)-2-((3s)-3-(Acetylamino)-3-(Butan-2-Yl)-2-Oxopy" . . . . . 100.00 455 100.00 100.00 0.00e+00 . . . . 6016 1 165 no PDB 3SKG . "Crystal Structure Of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex With (2s)-2-((3r)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrroli" . . . . . 100.00 455 100.00 100.00 0.00e+00 . . . . 6016 1 166 no PDB 3TPJ . "Apo Structure Of Bace1" . . . . . 100.00 433 99.51 99.51 0.00e+00 . . . . 6016 1 167 no PDB 3TPL . "Apo Structure Of Bace1" . . . . . 100.00 433 99.51 99.51 0.00e+00 . . . . 6016 1 168 no PDB 3TPP . "Crystal Structure Of Bace1 Complexed With An Inhibitor" . . . . . 100.00 433 99.51 99.51 0.00e+00 . . . . 6016 1 169 no PDB 3TPR . "Crystal Structure Of Bace1 Complexed With An Inhibitor" . . . . . 100.00 433 100.00 100.00 0.00e+00 . . . . 6016 1 170 no PDB 3U6A . "Rational Design And Synthesis Of Aminopiperazinones As Beta Secretase (bace) Inhibitors" . . . . . 95.58 390 100.00 100.00 0.00e+00 . . . . 6016 1 171 no PDB 3UDH . "Crystal Structure Of Bace With Compound 1" . . . . . 97.30 404 100.00 100.00 0.00e+00 . . . . 6016 1 172 no PDB 3UDJ . "Crystal Structure Of Bace With Compound 5" . . . . . 97.30 404 100.00 100.00 0.00e+00 . . . . 6016 1 173 no PDB 3UDK . "Crystal Structure Of Bace With Compound 6" . . . . . 97.30 404 100.00 100.00 0.00e+00 . . . . 6016 1 174 no PDB 3UDM . "Crystal Structure Of Bace With Compound 8" . . . . . 97.30 404 100.00 100.00 0.00e+00 . . . . 6016 1 175 no PDB 3UDN . "Crystal Structure Of Bace With Compound 9" . . . . . 97.30 404 100.00 100.00 0.00e+00 . . . . 6016 1 176 no PDB 3UDP . "Crystal Structure Of Bace With Compound 12" . . . . . 97.30 404 100.00 100.00 0.00e+00 . . . . 6016 1 177 no PDB 3UDQ . "Crystal Structure Of Bace With Compound 13" . . . . . 97.30 404 100.00 100.00 0.00e+00 . . . . 6016 1 178 no PDB 3UDR . "Crystal Structure Of Bace With Compound 14" . . . . . 97.30 404 100.00 100.00 0.00e+00 . . . . 6016 1 179 no PDB 3UDY . "Crystal Structure Of Bace With Compound 11" . . . . . 97.30 404 100.00 100.00 0.00e+00 . . . . 6016 1 180 no PDB 3UFL . "Discovery Of Pyrrolidine-Based B-Secretase Inhibitors: Lead Advancement Through Conformational Design For Maintenance Of Ligand" . . . . . 95.58 389 100.00 100.00 0.00e+00 . . . . 6016 1 181 no PDB 3UQP . "Crystal Structure Of Bace1 With Its Inhibitor" . . . . . 100.00 433 99.51 99.51 0.00e+00 . . . . 6016 1 182 no PDB 3UQR . "Crystal Structure Of Bace1 With Its Inhibitor" . . . . . 100.00 433 100.00 100.00 0.00e+00 . . . . 6016 1 183 no PDB 3UQU . "Crystal Structure Of Bace1 With Its Inhibitor" . . . . . 100.00 433 99.51 99.51 0.00e+00 . . . . 6016 1 184 no PDB 3UQW . "Crystal Structure Of Bace1 With Its Inhibitor" . . . . . 100.00 433 99.51 99.51 0.00e+00 . . . . 6016 1 185 no PDB 3UQX . "Crystal Structure Of Bace1 With Its Inhibitor" . . . . . 100.00 433 99.51 99.51 0.00e+00 . . . . 6016 1 186 no PDB 3VEU . "Crystal Structure Of Human Beta Secretase In Complex With Nvp-Avi326" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 187 no PDB 3VF3 . "Crystal Structure Of Human Beta Secretase In Complex With Nvp-Bqq711" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 188 no PDB 3VG1 . "Crystal Structure Of Human Beta Secretase In Complex With Nvp-Bur436, Derived From A Soaking Experiment" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 189 no PDB 3VV6 . "Crystal Structure Of Beta Secetase In Complex With 2-amino-3-methyl-6- ((1s, 2r)-2-phenylcyclopropyl)pyrimidin-4(3h)-one" . . . . . 100.00 416 100.00 100.00 0.00e+00 . . . . 6016 1 190 no PDB 3VV7 . "Crystal Structure Of Beta Secetase In Complex With 2-amino-6-((1s,2r)- 2-(3'-methoxybiphenyl-3-yl)cyclopropyl)-3-methylpyrimidi" . . . . . 100.00 416 100.00 100.00 0.00e+00 . . . . 6016 1 191 no PDB 3VV8 . "Crystal Structure Of Beta Secetase In Complex With 2-amino-3-methyl-6- ((1s,2r)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin" . . . . . 100.00 416 100.00 100.00 0.00e+00 . . . . 6016 1 192 no PDB 3WB4 . "Crystal Structure Of Beta Secetase In Complex With 2-amino-3,6- Dimethyl-6-(2-phenylethyl)-3,4,5,6-tetrahydropyrimidin-4-one" . . . . . 100.00 416 100.00 100.00 0.00e+00 . . . . 6016 1 193 no PDB 3WB5 . "Crystal Structure Of Beta Secetase In Complex With (6s)-2-amino-3,6- Dimethyl-6-[(1r,2r)-2-phenylcyclopropyl]-3,4,5,6-tetrahydr" . . . . . 100.00 416 100.00 100.00 0.00e+00 . . . . 6016 1 194 no PDB 3ZMG . "Crystal Structure Of Bace-1 In Complex With Chemical Ligand" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 195 no PDB 3ZOV . "Crystal Structure Of Bace-1 In Complex With Chemical Ligand" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 196 no PDB 4ACU . "Aminoimidazoles As Bace-1 Inhibitors. X-Ray Crystal Structure Of Beta Secretase Complexed With Compound 14" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 197 no PDB 4ACX . "Aminoimidazoles As Bace-1 Inhibitors. X-Ray Crystal Structure Of Beta Secretase Complexed With Compound 23" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 198 no PDB 4AZY . "Design And Synthesis Of Bace1 Inhibitors With In Vivo Brain Reduction Of Beta-Amyloid Peptides (Compound 10)" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 199 no PDB 4B00 . "Design And Synthesis Of Bace1 Inhibitors With In Vivo Brain Reduction Of Beta-Amyloid Peptides (Compound (R)-41)" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 200 no PDB 4B05 . "Preclinical Characterization Of Azd3839, A Novel Clinical Candidate Bace1 Inhibitor For The Treatment Of Alzheimer Disease" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 201 no PDB 4B0Q . "Lead Generation Of Bace1 Inhibitors By Coupling Non-amidine New Warheads To A Known Binding Scaffold" . . . . . 94.35 384 100.00 100.00 0.00e+00 . . . . 6016 1 202 no PDB 4B1D . "New Aminoimidazoles As Bace-1 Inhibitors: From Rational Design To Ab-Lowering In Brain" . . . . . 95.33 388 100.00 100.00 0.00e+00 . . . . 6016 1 203 no PDB 4B1E . "New Aminoimidazoles As Bace-1 Inhibitors: From Rational Design To Ab-Lowering In Brain" . . . . . 95.33 388 100.00 100.00 0.00e+00 . . . . 6016 1 204 no PDB 4B70 . "Aminoimidazoles As Bace-1 Inhibitors: From De Novo Design To Ab-lowering In Brain" . . . . . 94.59 385 100.00 100.00 0.00e+00 . . . . 6016 1 205 no PDB 4B72 . "Aminoimidazoles As Bace-1 Inhibitors: From De Novo Design To Ab-lowering In Brain" . . . . . 95.33 388 100.00 100.00 0.00e+00 . . . . 6016 1 206 no PDB 4B77 . "Aminoimidazoles As Bace-1 Inhibitors: From De Novo Design To Ab-lowering In Brain" . . . . . 95.33 388 100.00 100.00 0.00e+00 . . . . 6016 1 207 no PDB 4B78 . "Aminoimidazoles As Bace-1 Inhibitors: From De Novo Design To Ab-lowering In Brain" . . . . . 94.35 384 100.00 100.00 0.00e+00 . . . . 6016 1 208 no PDB 4BEK . "Crystal Structure Of Bace-1 In Complex With Chemical Ligand" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 209 no PDB 4BFD . "Crystal Structure Of Bace-1 In Complex With Chemical Ligand" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 210 no PDB 4D83 . "Crystal Structure Of Human Beta Secretase In Complex With Nvp-Bur436, Derived From A Co-Crystallization Experiment" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 211 no PDB 4D85 . "Crystal Structure Of Human Beta Secretase In Complex With Nvp-Bvi151" . . . . . 99.75 408 100.00 100.00 0.00e+00 . . . . 6016 1 212 no PDB 4D88 . "Crystal Structure Of Human Beta Secretase In Complex With Nvp-Bxq490" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 213 no PDB 4D89 . "Crystal Structure Of Human Beta Secretase In Complex With Nvp-Bxd552, Derived From A Soaking Experiment" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 214 no PDB 4D8C . "Crystal Structure Of Human Beta Secretase In Complex With Nvp-Bxd552, Derived From A Co-Crystallization Experiment" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 215 no PDB 4DH6 . "Structure Of Bace-1 (beta-secretase) In Complex With (2r)-n-((2s,3r)- 1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((s)-6'-neopenty" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 216 no PDB 4DI2 . "Crystal Structure Of Bace1 In Complex With Hydroxyethylamine Inhibitor 37" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 217 no PDB 4DJU . "Structure Of Bace Bound To 2-Imino-3-Methyl-5,5-Diphenylimidazolidin- 4-One" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 218 no PDB 4DJV . "Structure Of Bace Bound To 2-Imino-5-(3'-Methoxy-[1,1'-Biphenyl]-3- Yl)-3-Methyl-5-Phenylimidazolidin-4-One" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 219 no PDB 4DJW . "Structure Of Bace Bound To 2-Imino-3-Methyl-5-Phenyl-5-(3-(Pyridin-3- Yl)phenyl)imidazolidin-4-One" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 220 no PDB 4DJX . "Structure Of Bace Bound To 5-(3-(5-Chloropyridin-3-Yl)phenyl)-5- Cyclopropyl-2-Imino-3-Methylimidazolidin-4-One" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 221 no PDB 4DJY . "Structure Of Bace Bound To (R)-5-Cyclopropyl-2-Imino-3-Methyl-5-(3-(5- (Prop-1-Yn-1-Yl)pyridin-3-Yl)phenyl)imidazolidin-4-One" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 222 no PDB 4DPF . "Bace-1 In Complex With A Hea-Macrocyclic Type Inhibitor" . . . . . 95.82 391 100.00 100.00 0.00e+00 . . . . 6016 1 223 no PDB 4DPI . "Bace-1 In Complex With Hea-Macrocyclic Inhibitor, Mv078512" . . . . . 95.82 391 100.00 100.00 0.00e+00 . . . . 6016 1 224 no PDB 4DUS . "Structure Of Bace-1 (beta-secretase) In Complex With N-((2s,3r)-1-(4- Fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'- Dihydrosp" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 225 no PDB 4DV9 . "Crystal Structure Of Bace1 With Its Inhibitor" . . . . . 100.00 433 99.51 99.51 0.00e+00 . . . . 6016 1 226 no PDB 4DVF . "Crystal Structure Of Bace1 With Its Inhibitor" . . . . . 100.00 433 99.51 99.51 0.00e+00 . . . . 6016 1 227 no PDB 4EWO . "Design And Synthesis Of Potent Hydroxyethylamine (Hea) Bace-1 Inhibitors" . . . . . 94.84 386 100.00 100.00 0.00e+00 . . . . 6016 1 228 no PDB 4EXG . "Design And Synthesis Of Potent Hydroxyethylamine (Hea) Bace-1 Inhibitors" . . . . . 94.84 386 100.00 100.00 0.00e+00 . . . . 6016 1 229 no PDB 4FCO . "Crystal Structure Of Bace1 With Its Inhibitor" . . . . . 100.00 433 99.51 99.51 0.00e+00 . . . . 6016 1 230 no PDB 4FGX . "Crystal Structure Of Bace1 With Novel Inhibitor" . . . . . 100.00 433 99.51 99.51 0.00e+00 . . . . 6016 1 231 no PDB 4FM7 . "Crystal Structure Of Bace With Compound 14g" . . . . . 97.30 404 100.00 100.00 0.00e+00 . . . . 6016 1 232 no PDB 4FM8 . "Crystal Structure Of Bace With Compound 12a" . . . . . 97.30 404 100.00 100.00 0.00e+00 . . . . 6016 1 233 no PDB 4FRI . "Crystal Structure Of Bace1 In Complex With Biarylspiro Aminooxazoline 6" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 234 no PDB 4FRJ . "Crystal Structure Of Bace1 In Complex With Aminooxazoline Xanthene 9l" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 235 no PDB 4FRK . "Crystal Structure Of Bace1 In Complex With Aminooxazoline Xanthene 11a" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 236 no PDB 4FRS . "Structure Of Bace In Complex With (s)-4-(3-chloro-5-(5-(prop-1-yn-1- Yl)pyridin-3-yl)thiophen-2-yl)-1,4-dimethyl-6-oxotetrahydr" . . . . . 97.05 395 100.00 100.00 0.00e+00 . . . . 6016 1 237 no PDB 4FS4 . "Structure Of Bace Bound To (s)-4-(3'-methoxy-[1,1'-biphenyl]-3-yl)-1, 4-dimethyl-6-oxotetrahydropyrimidin-2(1h)-iminium" . . . . . 95.82 390 100.00 100.00 0.00e+00 . . . . 6016 1 238 no PDB 4FSE . "Crystal Structure Of Beta-site App-cleaving Enzyme 1 (bace-wt) Complex With N-(n-(4-amino-3,5- Dichlorobenzyl)carbamimidoyl)-3-" . . . . . 100.00 455 100.00 100.00 0.00e+00 . . . . 6016 1 239 no PDB 4FSL . "Crystal Structure Of Beta-site App-cleaving Enzyme 1 (bace-db-mut) Complex With N-(n-(4- Acetamido-3-chloro-5-methylbenzyl) Car" . . . . . 100.00 412 99.51 100.00 0.00e+00 . . . . 6016 1 240 no PDB 4GID . "Structure Of Beta-secretase Complexed With Inhibitor" . . . . . 95.33 388 100.00 100.00 0.00e+00 . . . . 6016 1 241 no PDB 4GMI . "Bace-1 In Complex With Hea-type Macrocyclic Inhibitor, Mv078571" . . . . . 95.82 391 100.00 100.00 0.00e+00 . . . . 6016 1 242 no PDB 4H1E . "Structure Of Bace-1 Bound To (7ar)-6-Benzoyl-7a-(4-(3-Cyanophenyl) Thiophen-2-Yl)-3-Methyl-4-Oxohexahydro-1h-Pyrrolo[3,4-D]pyri" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 243 no PDB 4H3F . "Structure Of Bace Bound To 3-(5-((7ar)-2-Imino-6-(6-Methoxypyridin-2- Yl)-3-Methyl-4-Oxooctahydro-1h-Pyrrolo[3,4-D]pyrimidin-7a" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 244 no PDB 4H3G . "Structure Of Bace Bound To 2-((7ar)-7a-(4-(3-Cyanophenyl)thiophen-2- Yl)-2-Imino-3-Methyl-4-Oxohexahydro-1h-Pyrrolo[3,4-D]pyrim" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 245 no PDB 4H3I . "Structure Of Bace Bound To 3-(5-((7ar)-2-Imino-6-(3-Methoxypyridin-2- Yl)-3-Methyl-4-Oxooctahydro-1h-Pyrrolo[3,4-D]pyrimidin-7a" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 246 no PDB 4H3J . "Structure Of Bace Bound To 2-Fluoro-5-(5-(2-Imino-3-Methyl-4-Oxo-6- Phenyloctahydro-1h-Pyrrolo[3,4-D]pyrimidin-7a-Yl)thiophen-2" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 247 no PDB 4HA5 . "Structure Of Bace Bound To (S)-3-(5-(2-Imino-1,4-Dimethyl-6- Oxohexahydropyrimidin-4-Yl)thiophen-3-Yl)benzonitrile" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 248 no PDB 4HZT . "Structure-based Design Of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage The Catalytic Aspartates" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 249 no PDB 4I0D . "Design And Synthesis Of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 250 no PDB 4I0E . "Design And Synthesis Of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 251 no PDB 4I0F . "Design And Synthesis Of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 252 no PDB 4I0G . "Design And Synthesis Of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 253 no PDB 4I0H . "Spr And Structural Analysis Yield Insight Towards Mechanism Of Inhibition Of Bace Inhibitors." . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 254 no PDB 4I0I . "Spr And Structural Analysis Yield Insight Towards Mechanism Of Inhibition Of Bace Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 255 no PDB 4I0J . "Spr And Structural Analysis Yield Insight Towards Mechanism Of Inhibition Of Bace Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 256 no PDB 4I0Z . "Structure-based Design Of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage The Catalytic Aspartates" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 257 no PDB 4I10 . "Structure-based Design Of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage The Catalytic Aspartates" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 258 no PDB 4I11 . "Structure-based Design Of Novel Dihydroisoquinoline Bace-1 Inhibitors That Do Not Engage The Catalytic Aspartates." . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 259 no PDB 4I12 . "Design And Synthesis Of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 260 no PDB 4I1C . "Design And Synthesis Of Thiophene Dihydroisoquinolins As Novel Bace-1 Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 261 no PDB 4IVS . "Crystal Structure Of Bace1 With Its Inhibitor" . . . . . 100.00 433 99.51 99.51 0.00e+00 . . . . 6016 1 262 no PDB 4IVT . "Crystal Structure Of Bace1 With Its Inhibitor" . . . . . 100.00 433 99.51 99.51 0.00e+00 . . . . 6016 1 263 no PDB 4J0P . "Crystal Structure Of Bace-1 In Complex With 5-cyano-pyridine-2- Carboxylic Acid [3-((s)-2-amino-4-methyl-5,6-dihydro-4h-[1,3]ox" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 264 no PDB 4J0T . "Crystal Structure Of Bace-1 In Complex With 5-ethoxy-pyridine-2- Carboxylic Acid [3-((r)-2-amino-5,5-difluoro-4-methyl-5,6-dihy" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 265 no PDB 4J0V . "Crystal Structure Of Bace-1 In Complex With 5-cyano-pyridine-2- Carboxylic Acid [3-((4r,5r)-2-amino-5-fluoro-4-methyl-5,6-dihyd" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 266 no PDB 4J0Y . "Crystal Structure Of Bace-1 In Complex With 5-cyano-pyridine-2- Carboxylic Acid [3-((4r,5s)-2-amino-5-fluoro-4-methyl-5,6-dihyd" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 267 no PDB 4J0Z . "Crystal Structure Of Bace-1 In Complex With 5-cyano-pyridine-2- Carboxylic Acid [3-((4s,5r)-2-amino-5-fluoro-4-fluoromethyl-5,6" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 268 no PDB 4J17 . "Crystal Structure Of Bace-1 In Complex With 5-cyano-pyridine-2- Carboxylic Acid [3-((s)-2-amino-4-difluoromethyl-5,6-dihydro-4h" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 269 no PDB 4J1C . "Crystal Structure Of Bace-1 In Complex With 5-cyano-pyridine-2- Carboxylic Acid [3-((s)-2-amino-5,5-difluoro-4-fluoromethyl-5,6" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 270 no PDB 4J1E . "Crystal Structure Of Bace-1 In Complex With 5-cyano-pyridine-2- Carboxylic Acid [3-((4s,6s)-2-amino-4-fluoromethyl-6-trifluorom" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 271 no PDB 4J1F . "Crystal Structure Of Bace-1 In Complex With 5-cyano-pyridine-2- Carboxylic Acid [3-((4s,6s)-2-amino-4-methyl-6-trifluoromethyl-" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 272 no PDB 4J1H . "Crystal Structure Of Bace-1 In Complex With 5-cyano-pyridine-2- Carboxylic Acid [3-((4s,6r)-2-amino-4-methyl-6-trifluoromethyl-" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 273 no PDB 4J1I . "Crystal Structure Of Bace-1 In Complex With 5-cyano-pyridine-2- Carboxylic Acid [3-((4r,5r,6r)-2-amino-5-fluoro-4-methyl-6- Tri" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 274 no PDB 4J1K . "Crystal Structure Of Bace-1 In Complex With 5-cyano-pyridine-2- Carboxylic Acid [3-((4r,5r,6s)-2-amino-5-fluoro-4-methyl-6- Tri" . . . . . 100.00 409 99.75 99.75 0.00e+00 . . . . 6016 1 275 no PDB 4JOO . "Spirocyclic Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (bace1) Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 276 no PDB 4JP9 . "Spirocyclic Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (bace1) Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 277 no PDB 4JPC . "Spirocyclic Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (bace1) Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 278 no PDB 4JPE . "Spirocyclic Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (bace1) Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 279 no PDB 4K8S . "Hydroxyethylamine-based Inhibitors Of Bace1: P1-p3 Macrocyclization Can Improve Potency, Selectivity, And Cell Activity" . . . . . 95.33 388 100.00 100.00 0.00e+00 . . . . 6016 1 280 no PDB 4K9H . "Bace-1 Inhibitor Complex" . . . . . 95.33 388 100.00 100.00 0.00e+00 . . . . 6016 1 281 no PDB 4KE0 . "Crystal Structure Of Bace1 In Complex With Hydroxyethylamine- Macrocyclic Inhibitor 13" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 282 no PDB 4KE1 . "Crystal Structure Of Bace1 In Complex With Hydroxyethylamine- Macrocyclic Inhibitor 19" . . . . . 99.75 411 99.51 100.00 0.00e+00 . . . . 6016 1 283 no PDB 4L7G . "Diethylaminosulfur Trifluoride-mediated Intramolecular Cyclization Of 2-hydroxy-benzylureas To Fused Bicyclic Aminooxazoline Co" . . . . . 98.03 409 99.75 99.75 0.00e+00 . . . . 6016 1 284 no PDB 4L7H . "Diethylaminosulfur Trifluoride-mediated Intramolecular Cyclization Of 2-hydroxy-benzylureas To Fused Bicyclic Aminooxazoline Co" . . . . . 98.03 409 99.75 99.75 0.00e+00 . . . . 6016 1 285 no PDB 4L7J . "Diethylaminosulfur Trifluoride-mediated Intramolecular Cyclization Of 2-hydroxy-benzylureas To Fused Bicyclic Aminooxazoline Co" . . . . . 98.03 409 99.75 99.75 0.00e+00 . . . . 6016 1 286 no PDB 4LC7 . "Aminooxazoline Inhibitor Of Bace-1" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 287 no PDB 4LXA . "Crystal Structure Of Human Beta Secretase In Complex With Compound 11a" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 288 no PDB 4LXK . "Crystal Structure Of Human Beta Secretase In Complex With Compound 11d" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 289 no PDB 4LXM . "Crystal Structure Of Human Beta Secretase In Complex With Compound 12a" . . . . . 98.28 402 100.00 100.00 0.00e+00 . . . . 6016 1 290 no PDB 4N00 . "Discovery Of 7-thp Chromans: Bace1 Inhibitors That Reduce A-beta In The Cns" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 291 no PDB 4PZW . "Synthesis, Characterization And Pk/pd Studies Of A Series Of Spirocyclic Pyranochromene Bace1 Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 292 no PDB 4PZX . "Synthesis, Characterization And Pk/pd Studies Of A Series Of Spirocyclic Pyranochromene Bace1 Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 293 no PDB 4R5N . "8-tetrahydropyran-2-yl Chromans: Highly Selective Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (bace1) Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 294 no PDB 4R8Y . "Bace-1 In Complex With (r)-4-(2-cyclohexylethyl)-4-(((r)-1-(2- Cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazol" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 295 no PDB 4R91 . "Bace-1 In Complex With (r)-4-(2-cyclohexylethyl)-4-(((1s,3r)-3- (cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 296 no PDB 4R92 . "Bace-1 In Complex With (r)-4-(2-cyclohexylethyl)-4-(((1s,3r)-3- (isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 297 no PDB 4R93 . "Bace-1 In Complex With (r)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4- (((1s,3r)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 298 no PDB 4R95 . "Bace-1 In Complex With 2-(((1r,3s)-3-(((r)-4-(2-cyclohexylethyl)-2- Iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)am" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 6016 1 299 no PDB 4RRN . "8-tetrahydropyran-2-yl Chromans: Highly Selective Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (bace1) Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 300 no PDB 4RRO . "8-tetrahydropyran-2-yl Chromans: Highly Selective Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (bace1) Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 301 no PDB 4RRS . "8-tetrahydropyran-2-yl Chromans: Highly Selective Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (bace1) Inhibitors" . . . . . 97.54 406 100.00 100.00 0.00e+00 . . . . 6016 1 302 no DBJ BAA86463 . "KIAA1149 protein [Homo sapiens]" . . . . . 100.00 532 100.00 100.00 0.00e+00 . . . . 6016 1 303 no DBJ BAB29317 . "unnamed protein product [Mus musculus]" . . . . . 54.05 267 99.09 99.55 1.56e-158 . . . . 6016 1 304 no DBJ BAB29370 . "unnamed protein product [Mus musculus]" . . . . . 100.00 501 98.28 99.26 0.00e+00 . . . . 6016 1 305 no DBJ BAC28156 . "unnamed protein product [Mus musculus]" . . . . . 100.00 501 98.28 99.26 0.00e+00 . . . . 6016 1 306 no DBJ BAC30889 . "unnamed protein product [Mus musculus]" . . . . . 100.00 501 98.28 99.26 0.00e+00 . . . . 6016 1 307 no GB AAF04142 . "beta-site APP cleaving enzyme [Homo sapiens]" . . . . . 100.00 501 100.00 100.00 0.00e+00 . . . . 6016 1 308 no GB AAF04143 . "beta-site APP cleaving enzyme [Mus musculus]" . . . . . 100.00 501 98.28 99.26 0.00e+00 . . . . 6016 1 309 no GB AAF04144 . "beta-site APP cleaving enzyme [Rattus norvegicus]" . . . . . 100.00 501 98.28 99.26 0.00e+00 . . . . 6016 1 310 no GB AAF13715 . "memapsin 2 [Homo sapiens]" . . . . . 100.00 488 100.00 100.00 0.00e+00 . . . . 6016 1 311 no GB AAF17079 . "aspartyl protease 2 [Homo sapiens]" . . . . . 100.00 501 100.00 100.00 0.00e+00 . . . . 6016 1 312 no REF NP_001039996 . "beta-secretase 1 precursor [Bos taurus]" . . . . . 100.00 501 98.77 99.02 0.00e+00 . . . . 6016 1 313 no REF NP_001193977 . "beta-secretase 1 isoform E [Homo sapiens]" . . . . . 82.80 401 100.00 100.00 0.00e+00 . . . . 6016 1 314 no REF NP_001247857 . "beta-secretase 1 precursor [Macaca mulatta]" . . . . . 100.00 501 99.75 99.75 0.00e+00 . . . . 6016 1 315 no REF NP_001276783 . "beta-site APP-cleaving enzyme 1 precursor [Sus scrofa]" . . . . . 100.00 506 98.77 99.26 0.00e+00 . . . . 6016 1 316 no REF NP_035922 . "beta-secretase 1 isoform 1 precursor [Mus musculus]" . . . . . 100.00 501 98.28 99.26 0.00e+00 . . . . 6016 1 317 no SP P56817 . "RecName: Full=Beta-secretase 1; AltName: Full=Aspartyl protease 2; Short=ASP2; Short=Asp 2; AltName: Full=Beta-site amyloid pre" . . . . . 100.00 501 100.00 100.00 0.00e+00 . . . . 6016 1 318 no SP P56818 . "RecName: Full=Beta-secretase 1; AltName: Full=Aspartyl protease 2; Short=ASP2; Short=Asp 2; AltName: Full=Beta-site amyloid pre" . . . . . 100.00 501 98.28 99.26 0.00e+00 . . . . 6016 1 319 no SP P56819 . "RecName: Full=Beta-secretase 1; AltName: Full=Aspartyl protease 2; Short=ASP2; Short=Asp 2; AltName: Full=Beta-site amyloid pre" . . . . . 100.00 501 98.28 99.26 0.00e+00 . . . . 6016 1 320 no SP Q2HJ40 . "RecName: Full=Beta-secretase 1; AltName: Full=Beta-site amyloid precursor protein cleaving enzyme 1; Short=Beta-site APP cleavi" . . . . . 100.00 501 98.77 99.02 0.00e+00 . . . . 6016 1 321 no TPG DAA22394 . "TPA: beta-secretase 1 precursor [Bos taurus]" . . . . . 100.00 501 98.77 99.02 0.00e+00 . . . . 6016 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'beta-site APP Cleaving Enzyme 1' common 6016 1 BACE1 abbreviation 6016 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 48 ASP . 6016 1 2 49 GLU . 6016 1 3 50 GLU . 6016 1 4 51 PRO . 6016 1 5 52 GLU . 6016 1 6 53 GLU . 6016 1 7 54 PRO . 6016 1 8 55 GLY . 6016 1 9 56 ARG . 6016 1 10 57 ARG . 6016 1 11 58 GLY . 6016 1 12 59 SER . 6016 1 13 60 PHE . 6016 1 14 61 VAL . 6016 1 15 62 GLU . 6016 1 16 63 MET . 6016 1 17 64 VAL . 6016 1 18 65 ASP . 6016 1 19 66 ASN . 6016 1 20 67 LEU . 6016 1 21 68 ARG . 6016 1 22 69 GLY . 6016 1 23 70 LYS . 6016 1 24 71 SER . 6016 1 25 72 GLY . 6016 1 26 73 GLN . 6016 1 27 74 GLY . 6016 1 28 75 TYR . 6016 1 29 76 TYR . 6016 1 30 77 VAL . 6016 1 31 78 GLU . 6016 1 32 79 MET . 6016 1 33 80 THR . 6016 1 34 81 VAL . 6016 1 35 82 GLY . 6016 1 36 83 SER . 6016 1 37 84 PRO . 6016 1 38 85 PRO . 6016 1 39 86 GLN . 6016 1 40 87 THR . 6016 1 41 88 LEU . 6016 1 42 89 ASN . 6016 1 43 90 ILE . 6016 1 44 91 LEU . 6016 1 45 92 VAL . 6016 1 46 93 ASP . 6016 1 47 94 THR . 6016 1 48 95 GLY . 6016 1 49 96 SER . 6016 1 50 97 SER . 6016 1 51 98 ASN . 6016 1 52 99 PHE . 6016 1 53 100 ALA . 6016 1 54 101 VAL . 6016 1 55 102 GLY . 6016 1 56 103 ALA . 6016 1 57 104 ALA . 6016 1 58 105 PRO . 6016 1 59 106 HIS . 6016 1 60 107 PRO . 6016 1 61 108 PHE . 6016 1 62 109 LEU . 6016 1 63 110 HIS . 6016 1 64 111 ARG . 6016 1 65 112 TYR . 6016 1 66 113 TYR . 6016 1 67 114 GLN . 6016 1 68 115 ARG . 6016 1 69 116 GLN . 6016 1 70 117 LEU . 6016 1 71 118 SER . 6016 1 72 119 SER . 6016 1 73 120 THR . 6016 1 74 121 TYR . 6016 1 75 122 ARG . 6016 1 76 123 ASP . 6016 1 77 124 LEU . 6016 1 78 125 ARG . 6016 1 79 126 LYS . 6016 1 80 127 GLY . 6016 1 81 128 VAL . 6016 1 82 129 TYR . 6016 1 83 130 VAL . 6016 1 84 131 PRO . 6016 1 85 132 TYR . 6016 1 86 133 THR . 6016 1 87 134 GLN . 6016 1 88 135 GLY . 6016 1 89 136 LYS . 6016 1 90 137 TRP . 6016 1 91 138 GLU . 6016 1 92 139 GLY . 6016 1 93 140 GLU . 6016 1 94 141 LEU . 6016 1 95 142 GLY . 6016 1 96 143 THR . 6016 1 97 144 ASP . 6016 1 98 145 LEU . 6016 1 99 146 VAL . 6016 1 100 147 SER . 6016 1 101 148 ILE . 6016 1 102 149 PRO . 6016 1 103 150 HIS . 6016 1 104 151 GLY . 6016 1 105 152 PRO . 6016 1 106 153 ASN . 6016 1 107 154 VAL . 6016 1 108 155 THR . 6016 1 109 156 VAL . 6016 1 110 157 ARG . 6016 1 111 158 ALA . 6016 1 112 159 ASN . 6016 1 113 160 ILE . 6016 1 114 161 ALA . 6016 1 115 162 ALA . 6016 1 116 163 ILE . 6016 1 117 164 THR . 6016 1 118 165 GLU . 6016 1 119 166 SER . 6016 1 120 167 ASP . 6016 1 121 168 LYS . 6016 1 122 169 PHE . 6016 1 123 170 PHE . 6016 1 124 171 ILE . 6016 1 125 172 ASN . 6016 1 126 173 GLY . 6016 1 127 174 SER . 6016 1 128 175 ASN . 6016 1 129 176 TRP . 6016 1 130 177 GLU . 6016 1 131 178 GLY . 6016 1 132 179 ILE . 6016 1 133 180 LEU . 6016 1 134 181 GLY . 6016 1 135 182 LEU . 6016 1 136 183 ALA . 6016 1 137 184 TYR . 6016 1 138 185 ALA . 6016 1 139 186 GLU . 6016 1 140 187 ILE . 6016 1 141 188 ALA . 6016 1 142 189 ARG . 6016 1 143 190 PRO . 6016 1 144 191 ASP . 6016 1 145 192 ASP . 6016 1 146 193 SER . 6016 1 147 194 LEU . 6016 1 148 195 GLU . 6016 1 149 196 PRO . 6016 1 150 197 PHE . 6016 1 151 198 PHE . 6016 1 152 199 ASP . 6016 1 153 200 SER . 6016 1 154 201 LEU . 6016 1 155 202 VAL . 6016 1 156 203 LYS . 6016 1 157 204 GLN . 6016 1 158 205 THR . 6016 1 159 206 HIS . 6016 1 160 207 VAL . 6016 1 161 208 PRO . 6016 1 162 209 ASN . 6016 1 163 210 LEU . 6016 1 164 211 PHE . 6016 1 165 212 SER . 6016 1 166 213 LEU . 6016 1 167 214 GLN . 6016 1 168 215 LEU . 6016 1 169 216 CYS . 6016 1 170 217 GLY . 6016 1 171 218 ALA . 6016 1 172 219 GLY . 6016 1 173 220 PHE . 6016 1 174 221 PRO . 6016 1 175 222 LEU . 6016 1 176 223 ASN . 6016 1 177 224 GLN . 6016 1 178 225 SER . 6016 1 179 226 GLU . 6016 1 180 227 VAL . 6016 1 181 228 LEU . 6016 1 182 229 ALA . 6016 1 183 230 SER . 6016 1 184 231 VAL . 6016 1 185 232 GLY . 6016 1 186 233 GLY . 6016 1 187 234 SER . 6016 1 188 235 MET . 6016 1 189 236 ILE . 6016 1 190 237 ILE . 6016 1 191 238 GLY . 6016 1 192 239 GLY . 6016 1 193 240 ILE . 6016 1 194 241 ASP . 6016 1 195 242 HIS . 6016 1 196 243 SER . 6016 1 197 244 LEU . 6016 1 198 245 TYR . 6016 1 199 246 THR . 6016 1 200 247 GLY . 6016 1 201 248 SER . 6016 1 202 249 LEU . 6016 1 203 250 TRP . 6016 1 204 251 TYR . 6016 1 205 252 THR . 6016 1 206 253 PRO . 6016 1 207 254 ILE . 6016 1 208 255 ARG . 6016 1 209 256 ARG . 6016 1 210 257 GLU . 6016 1 211 258 TRP . 6016 1 212 259 TYR . 6016 1 213 260 TYR . 6016 1 214 261 GLU . 6016 1 215 262 VAL . 6016 1 216 263 ILE . 6016 1 217 264 ILE . 6016 1 218 265 VAL . 6016 1 219 266 ARG . 6016 1 220 267 VAL . 6016 1 221 268 GLU . 6016 1 222 269 ILE . 6016 1 223 270 ASN . 6016 1 224 271 GLY . 6016 1 225 272 GLN . 6016 1 226 273 ASP . 6016 1 227 274 LEU . 6016 1 228 275 LYS . 6016 1 229 276 MET . 6016 1 230 277 ASP . 6016 1 231 278 CYS . 6016 1 232 279 LYS . 6016 1 233 280 GLU . 6016 1 234 281 TYR . 6016 1 235 282 ASN . 6016 1 236 283 TYR . 6016 1 237 284 ASP . 6016 1 238 285 LYS . 6016 1 239 286 SER . 6016 1 240 287 ILE . 6016 1 241 288 VAL . 6016 1 242 289 ASP . 6016 1 243 290 SER . 6016 1 244 291 GLY . 6016 1 245 292 THR . 6016 1 246 293 THR . 6016 1 247 294 ASN . 6016 1 248 295 LEU . 6016 1 249 296 ARG . 6016 1 250 297 LEU . 6016 1 251 298 PRO . 6016 1 252 299 LYS . 6016 1 253 300 LYS . 6016 1 254 301 VAL . 6016 1 255 302 PHE . 6016 1 256 303 GLU . 6016 1 257 304 ALA . 6016 1 258 305 ALA . 6016 1 259 306 VAL . 6016 1 260 307 LYS . 6016 1 261 308 SER . 6016 1 262 309 ILE . 6016 1 263 310 LYS . 6016 1 264 311 ALA . 6016 1 265 312 ALA . 6016 1 266 313 SER . 6016 1 267 314 SER . 6016 1 268 315 THR . 6016 1 269 316 GLU . 6016 1 270 317 LYS . 6016 1 271 318 PHE . 6016 1 272 319 PRO . 6016 1 273 320 ASP . 6016 1 274 321 GLY . 6016 1 275 322 PHE . 6016 1 276 323 TRP . 6016 1 277 324 LEU . 6016 1 278 325 GLY . 6016 1 279 326 GLU . 6016 1 280 327 GLN . 6016 1 281 328 LEU . 6016 1 282 329 VAL . 6016 1 283 330 CYS . 6016 1 284 331 TRP . 6016 1 285 332 GLN . 6016 1 286 333 ALA . 6016 1 287 334 GLY . 6016 1 288 335 THR . 6016 1 289 336 THR . 6016 1 290 337 PRO . 6016 1 291 338 TRP . 6016 1 292 339 ASN . 6016 1 293 340 ILE . 6016 1 294 341 PHE . 6016 1 295 342 PRO . 6016 1 296 343 VAL . 6016 1 297 344 ILE . 6016 1 298 345 SER . 6016 1 299 346 LEU . 6016 1 300 347 TYR . 6016 1 301 348 LEU . 6016 1 302 349 MET . 6016 1 303 350 GLY . 6016 1 304 351 GLU . 6016 1 305 352 VAL . 6016 1 306 353 THR . 6016 1 307 354 ASN . 6016 1 308 355 GLN . 6016 1 309 356 SER . 6016 1 310 357 PHE . 6016 1 311 358 ARG . 6016 1 312 359 ILE . 6016 1 313 360 THR . 6016 1 314 361 ILE . 6016 1 315 362 LEU . 6016 1 316 363 PRO . 6016 1 317 364 GLN . 6016 1 318 365 GLN . 6016 1 319 366 TYR . 6016 1 320 367 LEU . 6016 1 321 368 ARG . 6016 1 322 369 PRO . 6016 1 323 370 VAL . 6016 1 324 371 GLU . 6016 1 325 372 ASP . 6016 1 326 373 VAL . 6016 1 327 374 ALA . 6016 1 328 375 THR . 6016 1 329 376 SER . 6016 1 330 377 GLN . 6016 1 331 378 ASP . 6016 1 332 379 ASP . 6016 1 333 380 CYS . 6016 1 334 381 TYR . 6016 1 335 382 LYS . 6016 1 336 383 PHE . 6016 1 337 384 ALA . 6016 1 338 385 ILE . 6016 1 339 386 SER . 6016 1 340 387 GLN . 6016 1 341 388 SER . 6016 1 342 389 SER . 6016 1 343 390 THR . 6016 1 344 391 GLY . 6016 1 345 392 THR . 6016 1 346 393 VAL . 6016 1 347 394 MET . 6016 1 348 395 GLY . 6016 1 349 396 ALA . 6016 1 350 397 VAL . 6016 1 351 398 ILE . 6016 1 352 399 MET . 6016 1 353 400 GLU . 6016 1 354 401 GLY . 6016 1 355 402 PHE . 6016 1 356 403 TYR . 6016 1 357 404 VAL . 6016 1 358 405 VAL . 6016 1 359 406 PHE . 6016 1 360 407 ASP . 6016 1 361 408 ARG . 6016 1 362 409 ALA . 6016 1 363 410 ARG . 6016 1 364 411 LYS . 6016 1 365 412 ARG . 6016 1 366 413 ILE . 6016 1 367 414 GLY . 6016 1 368 415 PHE . 6016 1 369 416 ALA . 6016 1 370 417 VAL . 6016 1 371 418 SER . 6016 1 372 419 ALA . 6016 1 373 420 CYS . 6016 1 374 421 HIS . 6016 1 375 422 VAL . 6016 1 376 423 HIS . 6016 1 377 424 ASP . 6016 1 378 425 GLU . 6016 1 379 426 PHE . 6016 1 380 427 ARG . 6016 1 381 428 THR . 6016 1 382 429 ALA . 6016 1 383 430 ALA . 6016 1 384 431 VAL . 6016 1 385 432 GLU . 6016 1 386 433 GLY . 6016 1 387 434 PRO . 6016 1 388 435 PHE . 6016 1 389 436 VAL . 6016 1 390 437 THR . 6016 1 391 438 LEU . 6016 1 392 439 ASP . 6016 1 393 440 MET . 6016 1 394 441 GLU . 6016 1 395 442 ASP . 6016 1 396 443 CYS . 6016 1 397 444 GLY . 6016 1 398 445 TYR . 6016 1 399 446 ASN . 6016 1 400 447 ILE . 6016 1 401 448 PRO . 6016 1 402 449 GLN . 6016 1 403 450 THR . 6016 1 404 451 ASP . 6016 1 405 452 GLU . 6016 1 406 453 SER . 6016 1 407 454 THR . 6016 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 . ASP 1 1 6016 1 . GLU 2 2 6016 1 . GLU 3 3 6016 1 . PRO 4 4 6016 1 . GLU 5 5 6016 1 . GLU 6 6 6016 1 . PRO 7 7 6016 1 . GLY 8 8 6016 1 . ARG 9 9 6016 1 . ARG 10 10 6016 1 . GLY 11 11 6016 1 . SER 12 12 6016 1 . PHE 13 13 6016 1 . VAL 14 14 6016 1 . GLU 15 15 6016 1 . MET 16 16 6016 1 . VAL 17 17 6016 1 . ASP 18 18 6016 1 . ASN 19 19 6016 1 . LEU 20 20 6016 1 . ARG 21 21 6016 1 . GLY 22 22 6016 1 . LYS 23 23 6016 1 . SER 24 24 6016 1 . GLY 25 25 6016 1 . GLN 26 26 6016 1 . GLY 27 27 6016 1 . TYR 28 28 6016 1 . TYR 29 29 6016 1 . VAL 30 30 6016 1 . GLU 31 31 6016 1 . MET 32 32 6016 1 . THR 33 33 6016 1 . VAL 34 34 6016 1 . GLY 35 35 6016 1 . SER 36 36 6016 1 . PRO 37 37 6016 1 . PRO 38 38 6016 1 . GLN 39 39 6016 1 . THR 40 40 6016 1 . LEU 41 41 6016 1 . ASN 42 42 6016 1 . ILE 43 43 6016 1 . LEU 44 44 6016 1 . VAL 45 45 6016 1 . ASP 46 46 6016 1 . THR 47 47 6016 1 . GLY 48 48 6016 1 . SER 49 49 6016 1 . SER 50 50 6016 1 . ASN 51 51 6016 1 . PHE 52 52 6016 1 . ALA 53 53 6016 1 . VAL 54 54 6016 1 . GLY 55 55 6016 1 . ALA 56 56 6016 1 . ALA 57 57 6016 1 . PRO 58 58 6016 1 . HIS 59 59 6016 1 . PRO 60 60 6016 1 . PHE 61 61 6016 1 . LEU 62 62 6016 1 . HIS 63 63 6016 1 . ARG 64 64 6016 1 . TYR 65 65 6016 1 . TYR 66 66 6016 1 . GLN 67 67 6016 1 . ARG 68 68 6016 1 . GLN 69 69 6016 1 . LEU 70 70 6016 1 . SER 71 71 6016 1 . SER 72 72 6016 1 . THR 73 73 6016 1 . TYR 74 74 6016 1 . ARG 75 75 6016 1 . ASP 76 76 6016 1 . LEU 77 77 6016 1 . ARG 78 78 6016 1 . LYS 79 79 6016 1 . GLY 80 80 6016 1 . VAL 81 81 6016 1 . TYR 82 82 6016 1 . VAL 83 83 6016 1 . PRO 84 84 6016 1 . TYR 85 85 6016 1 . THR 86 86 6016 1 . GLN 87 87 6016 1 . GLY 88 88 6016 1 . LYS 89 89 6016 1 . TRP 90 90 6016 1 . GLU 91 91 6016 1 . GLY 92 92 6016 1 . GLU 93 93 6016 1 . LEU 94 94 6016 1 . GLY 95 95 6016 1 . THR 96 96 6016 1 . ASP 97 97 6016 1 . LEU 98 98 6016 1 . VAL 99 99 6016 1 . SER 100 100 6016 1 . ILE 101 101 6016 1 . PRO 102 102 6016 1 . HIS 103 103 6016 1 . GLY 104 104 6016 1 . PRO 105 105 6016 1 . ASN 106 106 6016 1 . VAL 107 107 6016 1 . THR 108 108 6016 1 . VAL 109 109 6016 1 . ARG 110 110 6016 1 . ALA 111 111 6016 1 . ASN 112 112 6016 1 . ILE 113 113 6016 1 . ALA 114 114 6016 1 . ALA 115 115 6016 1 . ILE 116 116 6016 1 . THR 117 117 6016 1 . GLU 118 118 6016 1 . SER 119 119 6016 1 . ASP 120 120 6016 1 . LYS 121 121 6016 1 . PHE 122 122 6016 1 . PHE 123 123 6016 1 . ILE 124 124 6016 1 . ASN 125 125 6016 1 . GLY 126 126 6016 1 . SER 127 127 6016 1 . ASN 128 128 6016 1 . TRP 129 129 6016 1 . GLU 130 130 6016 1 . GLY 131 131 6016 1 . ILE 132 132 6016 1 . LEU 133 133 6016 1 . GLY 134 134 6016 1 . LEU 135 135 6016 1 . ALA 136 136 6016 1 . TYR 137 137 6016 1 . ALA 138 138 6016 1 . GLU 139 139 6016 1 . ILE 140 140 6016 1 . ALA 141 141 6016 1 . ARG 142 142 6016 1 . PRO 143 143 6016 1 . ASP 144 144 6016 1 . ASP 145 145 6016 1 . SER 146 146 6016 1 . LEU 147 147 6016 1 . GLU 148 148 6016 1 . PRO 149 149 6016 1 . PHE 150 150 6016 1 . PHE 151 151 6016 1 . ASP 152 152 6016 1 . SER 153 153 6016 1 . LEU 154 154 6016 1 . VAL 155 155 6016 1 . LYS 156 156 6016 1 . GLN 157 157 6016 1 . THR 158 158 6016 1 . HIS 159 159 6016 1 . VAL 160 160 6016 1 . PRO 161 161 6016 1 . ASN 162 162 6016 1 . LEU 163 163 6016 1 . PHE 164 164 6016 1 . SER 165 165 6016 1 . LEU 166 166 6016 1 . GLN 167 167 6016 1 . LEU 168 168 6016 1 . CYS 169 169 6016 1 . GLY 170 170 6016 1 . ALA 171 171 6016 1 . GLY 172 172 6016 1 . PHE 173 173 6016 1 . PRO 174 174 6016 1 . LEU 175 175 6016 1 . ASN 176 176 6016 1 . GLN 177 177 6016 1 . SER 178 178 6016 1 . GLU 179 179 6016 1 . VAL 180 180 6016 1 . LEU 181 181 6016 1 . ALA 182 182 6016 1 . SER 183 183 6016 1 . VAL 184 184 6016 1 . GLY 185 185 6016 1 . GLY 186 186 6016 1 . SER 187 187 6016 1 . MET 188 188 6016 1 . ILE 189 189 6016 1 . ILE 190 190 6016 1 . GLY 191 191 6016 1 . GLY 192 192 6016 1 . ILE 193 193 6016 1 . ASP 194 194 6016 1 . HIS 195 195 6016 1 . SER 196 196 6016 1 . LEU 197 197 6016 1 . TYR 198 198 6016 1 . THR 199 199 6016 1 . GLY 200 200 6016 1 . SER 201 201 6016 1 . LEU 202 202 6016 1 . TRP 203 203 6016 1 . TYR 204 204 6016 1 . THR 205 205 6016 1 . PRO 206 206 6016 1 . ILE 207 207 6016 1 . ARG 208 208 6016 1 . ARG 209 209 6016 1 . GLU 210 210 6016 1 . TRP 211 211 6016 1 . TYR 212 212 6016 1 . TYR 213 213 6016 1 . GLU 214 214 6016 1 . VAL 215 215 6016 1 . ILE 216 216 6016 1 . ILE 217 217 6016 1 . VAL 218 218 6016 1 . ARG 219 219 6016 1 . VAL 220 220 6016 1 . GLU 221 221 6016 1 . ILE 222 222 6016 1 . ASN 223 223 6016 1 . GLY 224 224 6016 1 . GLN 225 225 6016 1 . ASP 226 226 6016 1 . LEU 227 227 6016 1 . LYS 228 228 6016 1 . MET 229 229 6016 1 . ASP 230 230 6016 1 . CYS 231 231 6016 1 . LYS 232 232 6016 1 . GLU 233 233 6016 1 . TYR 234 234 6016 1 . ASN 235 235 6016 1 . TYR 236 236 6016 1 . ASP 237 237 6016 1 . LYS 238 238 6016 1 . SER 239 239 6016 1 . ILE 240 240 6016 1 . VAL 241 241 6016 1 . ASP 242 242 6016 1 . SER 243 243 6016 1 . GLY 244 244 6016 1 . THR 245 245 6016 1 . THR 246 246 6016 1 . ASN 247 247 6016 1 . LEU 248 248 6016 1 . ARG 249 249 6016 1 . LEU 250 250 6016 1 . PRO 251 251 6016 1 . LYS 252 252 6016 1 . LYS 253 253 6016 1 . VAL 254 254 6016 1 . PHE 255 255 6016 1 . GLU 256 256 6016 1 . ALA 257 257 6016 1 . ALA 258 258 6016 1 . VAL 259 259 6016 1 . LYS 260 260 6016 1 . SER 261 261 6016 1 . ILE 262 262 6016 1 . LYS 263 263 6016 1 . ALA 264 264 6016 1 . ALA 265 265 6016 1 . SER 266 266 6016 1 . SER 267 267 6016 1 . THR 268 268 6016 1 . GLU 269 269 6016 1 . LYS 270 270 6016 1 . PHE 271 271 6016 1 . PRO 272 272 6016 1 . ASP 273 273 6016 1 . GLY 274 274 6016 1 . PHE 275 275 6016 1 . TRP 276 276 6016 1 . LEU 277 277 6016 1 . GLY 278 278 6016 1 . GLU 279 279 6016 1 . GLN 280 280 6016 1 . LEU 281 281 6016 1 . VAL 282 282 6016 1 . CYS 283 283 6016 1 . TRP 284 284 6016 1 . GLN 285 285 6016 1 . ALA 286 286 6016 1 . GLY 287 287 6016 1 . THR 288 288 6016 1 . THR 289 289 6016 1 . PRO 290 290 6016 1 . TRP 291 291 6016 1 . ASN 292 292 6016 1 . ILE 293 293 6016 1 . PHE 294 294 6016 1 . PRO 295 295 6016 1 . VAL 296 296 6016 1 . ILE 297 297 6016 1 . SER 298 298 6016 1 . LEU 299 299 6016 1 . TYR 300 300 6016 1 . LEU 301 301 6016 1 . MET 302 302 6016 1 . GLY 303 303 6016 1 . GLU 304 304 6016 1 . VAL 305 305 6016 1 . THR 306 306 6016 1 . ASN 307 307 6016 1 . GLN 308 308 6016 1 . SER 309 309 6016 1 . PHE 310 310 6016 1 . ARG 311 311 6016 1 . ILE 312 312 6016 1 . THR 313 313 6016 1 . ILE 314 314 6016 1 . LEU 315 315 6016 1 . PRO 316 316 6016 1 . GLN 317 317 6016 1 . GLN 318 318 6016 1 . TYR 319 319 6016 1 . LEU 320 320 6016 1 . ARG 321 321 6016 1 . PRO 322 322 6016 1 . VAL 323 323 6016 1 . GLU 324 324 6016 1 . ASP 325 325 6016 1 . VAL 326 326 6016 1 . ALA 327 327 6016 1 . THR 328 328 6016 1 . SER 329 329 6016 1 . GLN 330 330 6016 1 . ASP 331 331 6016 1 . ASP 332 332 6016 1 . CYS 333 333 6016 1 . TYR 334 334 6016 1 . LYS 335 335 6016 1 . PHE 336 336 6016 1 . ALA 337 337 6016 1 . ILE 338 338 6016 1 . SER 339 339 6016 1 . GLN 340 340 6016 1 . SER 341 341 6016 1 . SER 342 342 6016 1 . THR 343 343 6016 1 . GLY 344 344 6016 1 . THR 345 345 6016 1 . VAL 346 346 6016 1 . MET 347 347 6016 1 . GLY 348 348 6016 1 . ALA 349 349 6016 1 . VAL 350 350 6016 1 . ILE 351 351 6016 1 . MET 352 352 6016 1 . GLU 353 353 6016 1 . GLY 354 354 6016 1 . PHE 355 355 6016 1 . TYR 356 356 6016 1 . VAL 357 357 6016 1 . VAL 358 358 6016 1 . PHE 359 359 6016 1 . ASP 360 360 6016 1 . ARG 361 361 6016 1 . ALA 362 362 6016 1 . ARG 363 363 6016 1 . LYS 364 364 6016 1 . ARG 365 365 6016 1 . ILE 366 366 6016 1 . GLY 367 367 6016 1 . PHE 368 368 6016 1 . ALA 369 369 6016 1 . VAL 370 370 6016 1 . SER 371 371 6016 1 . ALA 372 372 6016 1 . CYS 373 373 6016 1 . HIS 374 374 6016 1 . VAL 375 375 6016 1 . HIS 376 376 6016 1 . ASP 377 377 6016 1 . GLU 378 378 6016 1 . PHE 379 379 6016 1 . ARG 380 380 6016 1 . THR 381 381 6016 1 . ALA 382 382 6016 1 . ALA 383 383 6016 1 . VAL 384 384 6016 1 . GLU 385 385 6016 1 . GLY 386 386 6016 1 . PRO 387 387 6016 1 . PHE 388 388 6016 1 . VAL 389 389 6016 1 . THR 390 390 6016 1 . LEU 391 391 6016 1 . ASP 392 392 6016 1 . MET 393 393 6016 1 . GLU 394 394 6016 1 . ASP 395 395 6016 1 . CYS 396 396 6016 1 . GLY 397 397 6016 1 . TYR 398 398 6016 1 . ASN 399 399 6016 1 . ILE 400 400 6016 1 . PRO 401 401 6016 1 . GLN 402 402 6016 1 . THR 403 403 6016 1 . ASP 404 404 6016 1 . GLU 405 405 6016 1 . SER 406 406 6016 1 . THR 407 407 6016 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 6016 _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 $BACE1_monomer . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6016 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 6016 _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 $BACE1_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6016 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6016 _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 'beta-site APP Cleaving Enzyme 1' '[U-2H; U-15N; U-13C]' . . 1 $BACE1_monomer . . 0.9 . . mM . . . . 6016 1 stop_ save_ ####################### # Sample conditions # ####################### save_condi-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condi-1 _Sample_condition_list.Entry_ID 6016 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.1 na 6016 1 temperature 298 2 K 6016 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 6016 _Software.ID 1 _Software.Name NMRpipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6016 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6016 _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 6016 _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 Varian INOVA . 600 . . . 6016 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 6016 _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 '1H-15N TROSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6016 1 2 3D-TROSY-HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6016 1 3 3D-TROSY-HNCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6016 1 4 3D-TROSY-HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6016 1 5 3D-TROSY-HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6016 1 6 3D-TROSY-HNCOCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6016 1 7 3D-TROSY-CT-CACB(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6016 1 8 '4D TROSY-HNCOCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6016 1 9 '4D TROSY-HNCACO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6016 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 6016 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 6016 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D-TROSY-HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6016 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 3D-TROSY-HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6016 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 3D-TROSY-HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6016 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 3D-TROSY-HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6016 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 3D-TROSY-HNCOCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6016 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 3D-TROSY-CT-CACB(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6016 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '4D TROSY-HNCOCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6016 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '4D TROSY-HNCACO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 6016 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference was calibrated based on the proton chemical shift of an external standard. ; 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 . . . . . . . . . 6016 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 6016 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 6016 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 6016 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condi-1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N TROSY' 1 $sample_1 . 6016 1 2 3D-TROSY-HNCACB 1 $sample_1 . 6016 1 3 3D-TROSY-HNCACO 1 $sample_1 . 6016 1 4 3D-TROSY-HNCA 1 $sample_1 . 6016 1 5 3D-TROSY-HNCO 1 $sample_1 . 6016 1 6 3D-TROSY-HNCOCA 1 $sample_1 . 6016 1 7 3D-TROSY-CT-CACB(CO)NH 1 $sample_1 . 6016 1 8 '4D TROSY-HNCOCA' 1 $sample_1 . 6016 1 9 '4D TROSY-HNCACO' 1 $sample_1 . 6016 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 GLU N N 15 121.007 0.2 . 1 . . . . . . . . 6016 1 2 . 1 1 2 2 GLU H H 1 8.117 0.02 . 1 . . . . . . . . 6016 1 3 . 1 1 2 2 GLU CA C 13 56.005 0.1 . 1 . . . . . . . . 6016 1 4 . 1 1 2 2 GLU CB C 13 30.080 0.1 . 1 . . . . . . . . 6016 1 5 . 1 1 2 2 GLU C C 13 176.294 0.1 . 1 . . . . . . . . 6016 1 6 . 1 1 3 3 GLU N N 15 124.001 0.2 . 1 . . . . . . . . 6016 1 7 . 1 1 3 3 GLU H H 1 8.334 0.02 . 1 . . . . . . . . 6016 1 8 . 1 1 3 3 GLU CA C 13 54.076 0.1 . 1 . . . . . . . . 6016 1 9 . 1 1 3 3 GLU CB C 13 29.294 0.1 . 1 . . . . . . . . 6016 1 10 . 1 1 5 5 GLU N N 15 121.573 0.2 . 1 . . . . . . . . 6016 1 11 . 1 1 6 6 GLU N N 15 124.001 0.2 . 1 . . . . . . . . 6016 1 12 . 1 1 7 7 PRO C C 13 177.936 0.1 . 1 . . . . . . . . 6016 1 13 . 1 1 8 8 GLY N N 15 109.045 0.2 . 1 . . . . . . . . 6016 1 14 . 1 1 8 8 GLY H H 1 8.457 0.02 . 1 . . . . . . . . 6016 1 15 . 1 1 8 8 GLY CA C 13 45.222 0.1 . 1 . . . . . . . . 6016 1 16 . 1 1 13 13 PHE C C 13 176.664 0.1 . 1 . . . . . . . . 6016 1 17 . 1 1 14 14 VAL N N 15 118.985 0.2 . 1 . . . . . . . . 6016 1 18 . 1 1 14 14 VAL H H 1 7.422 0.02 . 1 . . . . . . . . 6016 1 19 . 1 1 14 14 VAL CA C 13 64.490 0.1 . 1 . . . . . . . . 6016 1 20 . 1 1 14 14 VAL C C 13 176.975 0.1 . 1 . . . . . . . . 6016 1 21 . 1 1 15 15 GLU N N 15 120.363 0.2 . 1 . . . . . . . . 6016 1 22 . 1 1 15 15 GLU H H 1 9.037 0.02 . 1 . . . . . . . . 6016 1 23 . 1 1 15 15 GLU CA C 13 57.783 0.1 . 1 . . . . . . . . 6016 1 24 . 1 1 15 15 GLU CB C 13 28.610 0.1 . 1 . . . . . . . . 6016 1 25 . 1 1 15 15 GLU C C 13 177.388 0.1 . 1 . . . . . . . . 6016 1 26 . 1 1 16 16 MET N N 15 118.383 0.2 . 1 . . . . . . . . 6016 1 27 . 1 1 16 16 MET H H 1 8.085 0.02 . 1 . . . . . . . . 6016 1 28 . 1 1 16 16 MET CA C 13 55.421 0.1 . 1 . . . . . . . . 6016 1 29 . 1 1 16 16 MET C C 13 173.354 0.1 . 1 . . . . . . . . 6016 1 30 . 1 1 17 17 VAL N N 15 117.512 0.2 . 1 . . . . . . . . 6016 1 31 . 1 1 17 17 VAL H H 1 6.844 0.02 . 1 . . . . . . . . 6016 1 32 . 1 1 17 17 VAL CA C 13 62.867 0.1 . 1 . . . . . . . . 6016 1 33 . 1 1 17 17 VAL CB C 13 31.124 0.1 . 1 . . . . . . . . 6016 1 34 . 1 1 17 17 VAL C C 13 174.207 0.1 . 1 . . . . . . . . 6016 1 35 . 1 1 18 18 ASP N N 15 120.604 0.2 . 1 . . . . . . . . 6016 1 36 . 1 1 18 18 ASP H H 1 7.534 0.02 . 1 . . . . . . . . 6016 1 37 . 1 1 18 18 ASP CA C 13 53.653 0.1 . 1 . . . . . . . . 6016 1 38 . 1 1 25 25 GLY C C 13 174.506 0.1 . 1 . . . . . . . . 6016 1 39 . 1 1 26 26 GLN N N 15 117.739 0.2 . 1 . . . . . . . . 6016 1 40 . 1 1 26 26 GLN H H 1 8.067 0.02 . 1 . . . . . . . . 6016 1 41 . 1 1 26 26 GLN CA C 13 54.679 0.1 . 1 . . . . . . . . 6016 1 42 . 1 1 26 26 GLN CB C 13 28.973 0.1 . 1 . . . . . . . . 6016 1 43 . 1 1 26 26 GLN C C 13 176.123 0.1 . 1 . . . . . . . . 6016 1 44 . 1 1 27 27 GLY N N 15 110.083 0.2 . 1 . . . . . . . . 6016 1 45 . 1 1 27 27 GLY H H 1 7.764 0.02 . 1 . . . . . . . . 6016 1 46 . 1 1 27 27 GLY CA C 13 44.567 0.1 . 1 . . . . . . . . 6016 1 47 . 1 1 27 27 GLY C C 13 172.016 0.1 . 1 . . . . . . . . 6016 1 48 . 1 1 28 28 TYR N N 15 119.905 0.2 . 1 . . . . . . . . 6016 1 49 . 1 1 28 28 TYR H H 1 8.642 0.02 . 1 . . . . . . . . 6016 1 50 . 1 1 28 28 TYR CA C 13 56.400 0.1 . 1 . . . . . . . . 6016 1 51 . 1 1 28 28 TYR CB C 13 40.449 0.1 . 1 . . . . . . . . 6016 1 52 . 1 1 28 28 TYR C C 13 174.585 0.1 . 1 . . . . . . . . 6016 1 53 . 1 1 29 29 TYR N N 15 117.742 0.2 . 1 . . . . . . . . 6016 1 54 . 1 1 29 29 TYR H H 1 9.179 0.02 . 1 . . . . . . . . 6016 1 55 . 1 1 29 29 TYR CA C 13 54.168 0.1 . 1 . . . . . . . . 6016 1 56 . 1 1 29 29 TYR CB C 13 42.275 0.1 . 1 . . . . . . . . 6016 1 57 . 1 1 29 29 TYR C C 13 172.043 0.1 . 1 . . . . . . . . 6016 1 58 . 1 1 30 30 VAL N N 15 122.550 0.2 . 1 . . . . . . . . 6016 1 59 . 1 1 30 30 VAL H H 1 9.230 0.02 . 1 . . . . . . . . 6016 1 60 . 1 1 30 30 VAL CA C 13 58.370 0.1 . 1 . . . . . . . . 6016 1 61 . 1 1 30 30 VAL CB C 13 36.382 0.1 . 1 . . . . . . . . 6016 1 62 . 1 1 30 30 VAL C C 13 172.933 0.1 . 1 . . . . . . . . 6016 1 63 . 1 1 31 31 GLU N N 15 129.152 0.2 . 1 . . . . . . . . 6016 1 64 . 1 1 31 31 GLU H H 1 8.462 0.02 . 1 . . . . . . . . 6016 1 65 . 1 1 31 31 GLU CA C 13 57.043 0.1 . 1 . . . . . . . . 6016 1 66 . 1 1 31 31 GLU CB C 13 30.313 0.1 . 1 . . . . . . . . 6016 1 67 . 1 1 31 31 GLU C C 13 176.586 0.1 . 1 . . . . . . . . 6016 1 68 . 1 1 32 32 MET N N 15 124.037 0.2 . 1 . . . . . . . . 6016 1 69 . 1 1 32 32 MET H H 1 9.348 0.02 . 1 . . . . . . . . 6016 1 70 . 1 1 32 32 MET CA C 13 55.043 0.1 . 1 . . . . . . . . 6016 1 71 . 1 1 32 32 MET CB C 13 37.373 0.1 . 1 . . . . . . . . 6016 1 72 . 1 1 32 32 MET C C 13 174.157 0.1 . 1 . . . . . . . . 6016 1 73 . 1 1 33 33 THR N N 15 109.135 0.2 . 1 . . . . . . . . 6016 1 74 . 1 1 33 33 THR H H 1 8.799 0.02 . 1 . . . . . . . . 6016 1 75 . 1 1 33 33 THR CA C 13 58.729 0.1 . 1 . . . . . . . . 6016 1 76 . 1 1 33 33 THR CB C 13 70.524 0.1 . 1 . . . . . . . . 6016 1 77 . 1 1 33 33 THR C C 13 173.710 0.1 . 1 . . . . . . . . 6016 1 78 . 1 1 34 34 VAL N N 15 119.686 0.2 . 1 . . . . . . . . 6016 1 79 . 1 1 34 34 VAL H H 1 8.805 0.02 . 1 . . . . . . . . 6016 1 80 . 1 1 34 34 VAL CA C 13 59.271 0.1 . 1 . . . . . . . . 6016 1 81 . 1 1 34 34 VAL CB C 13 34.356 0.1 . 1 . . . . . . . . 6016 1 82 . 1 1 34 34 VAL C C 13 176.974 0.1 . 1 . . . . . . . . 6016 1 83 . 1 1 35 35 GLY N N 15 111.071 0.2 . 1 . . . . . . . . 6016 1 84 . 1 1 35 35 GLY H H 1 8.631 0.02 . 1 . . . . . . . . 6016 1 85 . 1 1 35 35 GLY CA C 13 43.226 0.1 . 1 . . . . . . . . 6016 1 86 . 1 1 35 35 GLY C C 13 173.736 0.1 . 1 . . . . . . . . 6016 1 87 . 1 1 36 36 SER N N 15 110.948 0.2 . 1 . . . . . . . . 6016 1 88 . 1 1 36 36 SER H H 1 7.453 0.02 . 1 . . . . . . . . 6016 1 89 . 1 1 36 36 SER CA C 13 54.987 0.1 . 1 . . . . . . . . 6016 1 90 . 1 1 36 36 SER CB C 13 64.491 0.1 . 1 . . . . . . . . 6016 1 91 . 1 1 38 38 PRO C C 13 177.791 0.1 . 1 . . . . . . . . 6016 1 92 . 1 1 39 39 GLN N N 15 126.467 0.2 . 1 . . . . . . . . 6016 1 93 . 1 1 39 39 GLN H H 1 8.663 0.02 . 1 . . . . . . . . 6016 1 94 . 1 1 39 39 GLN CA C 13 54.587 0.1 . 1 . . . . . . . . 6016 1 95 . 1 1 39 39 GLN CB C 13 28.389 0.1 . 1 . . . . . . . . 6016 1 96 . 1 1 39 39 GLN C C 13 175.448 0.1 . 1 . . . . . . . . 6016 1 97 . 1 1 40 40 THR N N 15 121.780 0.2 . 1 . . . . . . . . 6016 1 98 . 1 1 40 40 THR H H 1 8.208 0.02 . 1 . . . . . . . . 6016 1 99 . 1 1 40 40 THR CA C 13 63.488 0.1 . 1 . . . . . . . . 6016 1 100 . 1 1 40 40 THR CB C 13 68.568 0.1 . 1 . . . . . . . . 6016 1 101 . 1 1 40 40 THR C C 13 173.564 0.1 . 1 . . . . . . . . 6016 1 102 . 1 1 41 41 LEU N N 15 126.016 0.2 . 1 . . . . . . . . 6016 1 103 . 1 1 41 41 LEU H H 1 8.847 0.02 . 1 . . . . . . . . 6016 1 104 . 1 1 41 41 LEU CA C 13 53.534 0.1 . 1 . . . . . . . . 6016 1 105 . 1 1 41 41 LEU CB C 13 47.411 0.1 . 1 . . . . . . . . 6016 1 106 . 1 1 41 41 LEU C C 13 174.201 0.1 . 1 . . . . . . . . 6016 1 107 . 1 1 42 42 ASN N N 15 120.354 0.2 . 1 . . . . . . . . 6016 1 108 . 1 1 42 42 ASN H H 1 9.196 0.02 . 1 . . . . . . . . 6016 1 109 . 1 1 42 42 ASN CA C 13 51.294 0.1 . 1 . . . . . . . . 6016 1 110 . 1 1 42 42 ASN CB C 13 39.960 0.1 . 1 . . . . . . . . 6016 1 111 . 1 1 42 42 ASN C C 13 175.758 0.1 . 1 . . . . . . . . 6016 1 112 . 1 1 43 43 ILE N N 15 124.944 0.2 . 1 . . . . . . . . 6016 1 113 . 1 1 43 43 ILE H H 1 9.219 0.02 . 1 . . . . . . . . 6016 1 114 . 1 1 43 43 ILE CA C 13 57.276 0.1 . 1 . . . . . . . . 6016 1 115 . 1 1 43 43 ILE CB C 13 37.102 0.1 . 1 . . . . . . . . 6016 1 116 . 1 1 43 43 ILE C C 13 174.852 0.1 . 1 . . . . . . . . 6016 1 117 . 1 1 44 44 LEU N N 15 130.343 0.2 . 1 . . . . . . . . 6016 1 118 . 1 1 44 44 LEU H H 1 8.627 0.02 . 1 . . . . . . . . 6016 1 119 . 1 1 44 44 LEU CA C 13 55.494 0.1 . 1 . . . . . . . . 6016 1 120 . 1 1 44 44 LEU CB C 13 41.362 0.1 . 1 . . . . . . . . 6016 1 121 . 1 1 44 44 LEU C C 13 175.772 0.1 . 1 . . . . . . . . 6016 1 122 . 1 1 45 45 VAL N N 15 125.918 0.2 . 1 . . . . . . . . 6016 1 123 . 1 1 45 45 VAL H H 1 8.903 0.02 . 1 . . . . . . . . 6016 1 124 . 1 1 45 45 VAL CA C 13 62.926 0.1 . 1 . . . . . . . . 6016 1 125 . 1 1 45 45 VAL CB C 13 31.103 0.1 . 1 . . . . . . . . 6016 1 126 . 1 1 45 45 VAL C C 13 176.029 0.1 . 1 . . . . . . . . 6016 1 127 . 1 1 46 46 ASP N N 15 130.550 0.2 . 1 . . . . . . . . 6016 1 128 . 1 1 46 46 ASP H H 1 8.242 0.02 . 1 . . . . . . . . 6016 1 129 . 1 1 46 46 ASP CA C 13 52.707 0.1 . 1 . . . . . . . . 6016 1 130 . 1 1 46 46 ASP CB C 13 43.235 0.1 . 1 . . . . . . . . 6016 1 131 . 1 1 46 46 ASP C C 13 175.126 0.1 . 1 . . . . . . . . 6016 1 132 . 1 1 47 47 THR N N 15 116.119 0.2 . 1 . . . . . . . . 6016 1 133 . 1 1 47 47 THR H H 1 8.460 0.02 . 1 . . . . . . . . 6016 1 134 . 1 1 47 47 THR CA C 13 63.716 0.1 . 1 . . . . . . . . 6016 1 135 . 1 1 47 47 THR CB C 13 68.171 0.1 . 1 . . . . . . . . 6016 1 136 . 1 1 47 47 THR C C 13 173.558 0.1 . 1 . . . . . . . . 6016 1 137 . 1 1 48 48 GLY N N 15 113.704 0.2 . 1 . . . . . . . . 6016 1 138 . 1 1 48 48 GLY H H 1 9.008 0.02 . 1 . . . . . . . . 6016 1 139 . 1 1 48 48 GLY CA C 13 44.825 0.1 . 1 . . . . . . . . 6016 1 140 . 1 1 48 48 GLY C C 13 172.015 0.1 . 1 . . . . . . . . 6016 1 141 . 1 1 49 49 SER N N 15 112.246 0.2 . 1 . . . . . . . . 6016 1 142 . 1 1 49 49 SER H H 1 7.285 0.02 . 1 . . . . . . . . 6016 1 143 . 1 1 49 49 SER CA C 13 58.402 0.1 . 1 . . . . . . . . 6016 1 144 . 1 1 49 49 SER CB C 13 64.416 0.1 . 1 . . . . . . . . 6016 1 145 . 1 1 51 51 ASN C C 13 174.926 0.1 . 1 . . . . . . . . 6016 1 146 . 1 1 52 52 PHE N N 15 127.390 0.2 . 1 . . . . . . . . 6016 1 147 . 1 1 52 52 PHE H H 1 8.994 0.02 . 1 . . . . . . . . 6016 1 148 . 1 1 52 52 PHE CA C 13 54.252 0.1 . 1 . . . . . . . . 6016 1 149 . 1 1 52 52 PHE C C 13 173.900 0.1 . 1 . . . . . . . . 6016 1 150 . 1 1 53 53 ALA N N 15 134.735 0.2 . 1 . . . . . . . . 6016 1 151 . 1 1 53 53 ALA H H 1 8.973 0.02 . 1 . . . . . . . . 6016 1 152 . 1 1 53 53 ALA CA C 13 50.100 0.1 . 1 . . . . . . . . 6016 1 153 . 1 1 53 53 ALA CB C 13 22.490 0.1 . 1 . . . . . . . . 6016 1 154 . 1 1 53 53 ALA C C 13 174.819 0.1 . 1 . . . . . . . . 6016 1 155 . 1 1 54 54 VAL N N 15 114.087 0.2 . 1 . . . . . . . . 6016 1 156 . 1 1 54 54 VAL H H 1 8.491 0.02 . 1 . . . . . . . . 6016 1 157 . 1 1 54 54 VAL CA C 13 57.894 0.1 . 1 . . . . . . . . 6016 1 158 . 1 1 54 54 VAL CB C 13 34.396 0.1 . 1 . . . . . . . . 6016 1 159 . 1 1 54 54 VAL C C 13 175.188 0.1 . 1 . . . . . . . . 6016 1 160 . 1 1 55 55 GLY N N 15 112.601 0.2 . 1 . . . . . . . . 6016 1 161 . 1 1 55 55 GLY H H 1 9.631 0.02 . 1 . . . . . . . . 6016 1 162 . 1 1 55 55 GLY CA C 13 48.505 0.1 . 1 . . . . . . . . 6016 1 163 . 1 1 55 55 GLY C C 13 173.926 0.1 . 1 . . . . . . . . 6016 1 164 . 1 1 56 56 ALA N N 15 129.064 0.2 . 1 . . . . . . . . 6016 1 165 . 1 1 56 56 ALA H H 1 8.598 0.02 . 1 . . . . . . . . 6016 1 166 . 1 1 56 56 ALA CA C 13 51.421 0.1 . 1 . . . . . . . . 6016 1 167 . 1 1 56 56 ALA CB C 13 19.141 0.1 . 1 . . . . . . . . 6016 1 168 . 1 1 56 56 ALA C C 13 174.173 0.1 . 1 . . . . . . . . 6016 1 169 . 1 1 57 57 ALA N N 15 121.586 0.2 . 1 . . . . . . . . 6016 1 170 . 1 1 57 57 ALA H H 1 7.327 0.02 . 1 . . . . . . . . 6016 1 171 . 1 1 57 57 ALA CA C 13 49.298 0.1 . 1 . . . . . . . . 6016 1 172 . 1 1 57 57 ALA CB C 13 19.581 0.1 . 1 . . . . . . . . 6016 1 173 . 1 1 62 62 LEU C C 13 177.525 0.1 . 1 . . . . . . . . 6016 1 174 . 1 1 63 63 HIS N N 15 122.344 0.2 . 1 . . . . . . . . 6016 1 175 . 1 1 63 63 HIS H H 1 9.725 0.02 . 1 . . . . . . . . 6016 1 176 . 1 1 63 63 HIS CA C 13 56.471 0.1 . 1 . . . . . . . . 6016 1 177 . 1 1 63 63 HIS CB C 13 30.056 0.1 . 1 . . . . . . . . 6016 1 178 . 1 1 63 63 HIS C C 13 174.844 0.1 . 1 . . . . . . . . 6016 1 179 . 1 1 64 64 ARG N N 15 115.724 0.2 . 1 . . . . . . . . 6016 1 180 . 1 1 64 64 ARG H H 1 7.455 0.02 . 1 . . . . . . . . 6016 1 181 . 1 1 64 64 ARG CA C 13 53.954 0.1 . 1 . . . . . . . . 6016 1 182 . 1 1 64 64 ARG CB C 13 32.354 0.1 . 1 . . . . . . . . 6016 1 183 . 1 1 64 64 ARG C C 13 171.753 0.1 . 1 . . . . . . . . 6016 1 184 . 1 1 65 65 TYR N N 15 109.888 0.2 . 1 . . . . . . . . 6016 1 185 . 1 1 65 65 TYR H H 1 7.335 0.02 . 1 . . . . . . . . 6016 1 186 . 1 1 65 65 TYR CA C 13 55.747 0.1 . 1 . . . . . . . . 6016 1 187 . 1 1 65 65 TYR CB C 13 38.238 0.1 . 1 . . . . . . . . 6016 1 188 . 1 1 65 65 TYR C C 13 173.368 0.1 . 1 . . . . . . . . 6016 1 189 . 1 1 66 66 TYR N N 15 121.550 0.2 . 1 . . . . . . . . 6016 1 190 . 1 1 66 66 TYR H H 1 9.044 0.02 . 1 . . . . . . . . 6016 1 191 . 1 1 66 66 TYR CA C 13 54.807 0.1 . 1 . . . . . . . . 6016 1 192 . 1 1 66 66 TYR CB C 13 38.710 0.1 . 1 . . . . . . . . 6016 1 193 . 1 1 66 66 TYR C C 13 173.920 0.1 . 1 . . . . . . . . 6016 1 194 . 1 1 67 67 GLN N N 15 128.920 0.2 . 1 . . . . . . . . 6016 1 195 . 1 1 67 67 GLN H H 1 9.249 0.02 . 1 . . . . . . . . 6016 1 196 . 1 1 67 67 GLN CA C 13 53.612 0.1 . 1 . . . . . . . . 6016 1 197 . 1 1 67 67 GLN CB C 13 28.270 0.1 . 1 . . . . . . . . 6016 1 198 . 1 1 67 67 GLN C C 13 177.108 0.1 . 1 . . . . . . . . 6016 1 199 . 1 1 68 68 ARG N N 15 127.742 0.2 . 1 . . . . . . . . 6016 1 200 . 1 1 68 68 ARG H H 1 8.548 0.02 . 1 . . . . . . . . 6016 1 201 . 1 1 68 68 ARG CA C 13 59.235 0.1 . 1 . . . . . . . . 6016 1 202 . 1 1 68 68 ARG CB C 13 28.715 0.1 . 1 . . . . . . . . 6016 1 203 . 1 1 68 68 ARG C C 13 178.140 0.1 . 1 . . . . . . . . 6016 1 204 . 1 1 69 69 GLN N N 15 116.402 0.2 . 1 . . . . . . . . 6016 1 205 . 1 1 69 69 GLN H H 1 8.831 0.02 . 1 . . . . . . . . 6016 1 206 . 1 1 69 69 GLN CA C 13 56.882 0.1 . 1 . . . . . . . . 6016 1 207 . 1 1 69 69 GLN CB C 13 26.053 0.1 . 1 . . . . . . . . 6016 1 208 . 1 1 69 69 GLN C C 13 176.433 0.1 . 1 . . . . . . . . 6016 1 209 . 1 1 70 70 LEU N N 15 116.652 0.2 . 1 . . . . . . . . 6016 1 210 . 1 1 70 70 LEU H H 1 6.897 0.02 . 1 . . . . . . . . 6016 1 211 . 1 1 70 70 LEU CA C 13 53.639 0.1 . 1 . . . . . . . . 6016 1 212 . 1 1 70 70 LEU CB C 13 40.970 0.1 . 1 . . . . . . . . 6016 1 213 . 1 1 70 70 LEU C C 13 177.692 0.1 . 1 . . . . . . . . 6016 1 214 . 1 1 71 71 SER N N 15 115.235 0.2 . 1 . . . . . . . . 6016 1 215 . 1 1 71 71 SER H H 1 7.498 0.02 . 1 . . . . . . . . 6016 1 216 . 1 1 71 71 SER CA C 13 62.016 0.1 . 1 . . . . . . . . 6016 1 217 . 1 1 71 71 SER CB C 13 62.575 0.1 . 1 . . . . . . . . 6016 1 218 . 1 1 71 71 SER C C 13 176.153 0.1 . 1 . . . . . . . . 6016 1 219 . 1 1 72 72 SER N N 15 124.403 0.2 . 1 . . . . . . . . 6016 1 220 . 1 1 72 72 SER H H 1 9.262 0.02 . 1 . . . . . . . . 6016 1 221 . 1 1 72 72 SER CA C 13 59.841 0.1 . 1 . . . . . . . . 6016 1 222 . 1 1 72 72 SER CB C 13 62.565 0.1 . 1 . . . . . . . . 6016 1 223 . 1 1 72 72 SER C C 13 175.991 0.1 . 1 . . . . . . . . 6016 1 224 . 1 1 73 73 THR N N 15 109.172 0.2 . 1 . . . . . . . . 6016 1 225 . 1 1 73 73 THR H H 1 7.898 0.02 . 1 . . . . . . . . 6016 1 226 . 1 1 73 73 THR CA C 13 60.519 0.1 . 1 . . . . . . . . 6016 1 227 . 1 1 73 73 THR CB C 13 68.478 0.1 . 1 . . . . . . . . 6016 1 228 . 1 1 73 73 THR C C 13 174.311 0.1 . 1 . . . . . . . . 6016 1 229 . 1 1 74 74 TYR N N 15 124.848 0.2 . 1 . . . . . . . . 6016 1 230 . 1 1 74 74 TYR H H 1 6.897 0.02 . 1 . . . . . . . . 6016 1 231 . 1 1 74 74 TYR CA C 13 58.753 0.1 . 1 . . . . . . . . 6016 1 232 . 1 1 74 74 TYR CB C 13 37.973 0.1 . 1 . . . . . . . . 6016 1 233 . 1 1 74 74 TYR C C 13 175.712 0.1 . 1 . . . . . . . . 6016 1 234 . 1 1 75 75 ARG N N 15 130.404 0.2 . 1 . . . . . . . . 6016 1 235 . 1 1 75 75 ARG H H 1 8.406 0.02 . 1 . . . . . . . . 6016 1 236 . 1 1 75 75 ARG CA C 13 53.810 0.1 . 1 . . . . . . . . 6016 1 237 . 1 1 75 75 ARG CB C 13 31.051 0.1 . 1 . . . . . . . . 6016 1 238 . 1 1 75 75 ARG C C 13 173.132 0.1 . 1 . . . . . . . . 6016 1 239 . 1 1 76 76 ASP N N 15 123.743 0.2 . 1 . . . . . . . . 6016 1 240 . 1 1 76 76 ASP H H 1 8.254 0.02 . 1 . . . . . . . . 6016 1 241 . 1 1 76 76 ASP CA C 13 54.069 0.1 . 1 . . . . . . . . 6016 1 242 . 1 1 76 76 ASP CB C 13 41.859 0.1 . 1 . . . . . . . . 6016 1 243 . 1 1 76 76 ASP C C 13 177.868 0.1 . 1 . . . . . . . . 6016 1 244 . 1 1 77 77 LEU N N 15 126.826 0.2 . 1 . . . . . . . . 6016 1 245 . 1 1 77 77 LEU H H 1 8.339 0.02 . 1 . . . . . . . . 6016 1 246 . 1 1 77 77 LEU CA C 13 54.973 0.1 . 1 . . . . . . . . 6016 1 247 . 1 1 77 77 LEU CB C 13 41.631 0.1 . 1 . . . . . . . . 6016 1 248 . 1 1 77 77 LEU C C 13 176.206 0.1 . 1 . . . . . . . . 6016 1 249 . 1 1 78 78 ARG N N 15 119.888 0.2 . 1 . . . . . . . . 6016 1 250 . 1 1 78 78 ARG H H 1 9.090 0.02 . 1 . . . . . . . . 6016 1 251 . 1 1 78 78 ARG CA C 13 56.060 0.1 . 1 . . . . . . . . 6016 1 252 . 1 1 78 78 ARG CB C 13 26.672 0.1 . 1 . . . . . . . . 6016 1 253 . 1 1 78 78 ARG C C 13 175.117 0.1 . 1 . . . . . . . . 6016 1 254 . 1 1 79 79 LYS N N 15 118.381 0.2 . 1 . . . . . . . . 6016 1 255 . 1 1 79 79 LYS H H 1 7.982 0.02 . 1 . . . . . . . . 6016 1 256 . 1 1 79 79 LYS CA C 13 55.829 0.1 . 1 . . . . . . . . 6016 1 257 . 1 1 79 79 LYS CB C 13 36.116 0.1 . 1 . . . . . . . . 6016 1 258 . 1 1 79 79 LYS C C 13 174.304 0.1 . 1 . . . . . . . . 6016 1 259 . 1 1 80 80 GLY N N 15 112.604 0.2 . 1 . . . . . . . . 6016 1 260 . 1 1 80 80 GLY H H 1 8.480 0.02 . 1 . . . . . . . . 6016 1 261 . 1 1 80 80 GLY CA C 13 43.753 0.1 . 1 . . . . . . . . 6016 1 262 . 1 1 80 80 GLY C C 13 172.302 0.1 . 1 . . . . . . . . 6016 1 263 . 1 1 81 81 VAL N N 15 115.931 0.2 . 1 . . . . . . . . 6016 1 264 . 1 1 81 81 VAL H H 1 8.019 0.02 . 1 . . . . . . . . 6016 1 265 . 1 1 81 81 VAL CA C 13 59.891 0.1 . 1 . . . . . . . . 6016 1 266 . 1 1 81 81 VAL CB C 13 33.869 0.1 . 1 . . . . . . . . 6016 1 267 . 1 1 81 81 VAL C C 13 171.091 0.1 . 1 . . . . . . . . 6016 1 268 . 1 1 82 82 TYR N N 15 127.800 0.2 . 1 . . . . . . . . 6016 1 269 . 1 1 82 82 TYR H H 1 7.933 0.02 . 1 . . . . . . . . 6016 1 270 . 1 1 82 82 TYR CA C 13 56.365 0.1 . 1 . . . . . . . . 6016 1 271 . 1 1 82 82 TYR CB C 13 39.979 0.1 . 1 . . . . . . . . 6016 1 272 . 1 1 82 82 TYR C C 13 173.786 0.1 . 1 . . . . . . . . 6016 1 273 . 1 1 83 83 VAL N N 15 126.772 0.2 . 1 . . . . . . . . 6016 1 274 . 1 1 83 83 VAL H H 1 7.992 0.02 . 1 . . . . . . . . 6016 1 275 . 1 1 83 83 VAL CA C 13 58.825 0.1 . 1 . . . . . . . . 6016 1 276 . 1 1 83 83 VAL CB C 13 32.699 0.1 . 1 . . . . . . . . 6016 1 277 . 1 1 84 84 PRO C C 13 175.856 0.1 . 1 . . . . . . . . 6016 1 278 . 1 1 85 85 TYR N N 15 124.491 0.2 . 1 . . . . . . . . 6016 1 279 . 1 1 85 85 TYR H H 1 8.191 0.02 . 1 . . . . . . . . 6016 1 280 . 1 1 85 85 TYR CA C 13 56.369 0.1 . 1 . . . . . . . . 6016 1 281 . 1 1 85 85 TYR CB C 13 39.619 0.1 . 1 . . . . . . . . 6016 1 282 . 1 1 87 87 GLN C C 13 175.014 0.1 . 1 . . . . . . . . 6016 1 283 . 1 1 88 88 GLY N N 15 110.018 0.2 . 1 . . . . . . . . 6016 1 284 . 1 1 88 88 GLY H H 1 7.934 0.02 . 1 . . . . . . . . 6016 1 285 . 1 1 88 88 GLY CA C 13 44.866 0.1 . 1 . . . . . . . . 6016 1 286 . 1 1 88 88 GLY C C 13 172.906 0.1 . 1 . . . . . . . . 6016 1 287 . 1 1 89 89 LYS N N 15 116.808 0.2 . 1 . . . . . . . . 6016 1 288 . 1 1 89 89 LYS H H 1 8.656 0.02 . 1 . . . . . . . . 6016 1 289 . 1 1 89 89 LYS CA C 13 55.121 0.1 . 1 . . . . . . . . 6016 1 290 . 1 1 89 89 LYS CB C 13 34.392 0.1 . 1 . . . . . . . . 6016 1 291 . 1 1 89 89 LYS C C 13 174.260 0.1 . 1 . . . . . . . . 6016 1 292 . 1 1 90 90 TRP N N 15 115.877 0.2 . 1 . . . . . . . . 6016 1 293 . 1 1 90 90 TRP H H 1 7.969 0.02 . 1 . . . . . . . . 6016 1 294 . 1 1 90 90 TRP CA C 13 55.809 0.1 . 1 . . . . . . . . 6016 1 295 . 1 1 90 90 TRP CB C 13 32.747 0.1 . 1 . . . . . . . . 6016 1 296 . 1 1 90 90 TRP C C 13 172.910 0.1 . 1 . . . . . . . . 6016 1 297 . 1 1 91 91 GLU N N 15 118.849 0.2 . 1 . . . . . . . . 6016 1 298 . 1 1 91 91 GLU H H 1 8.855 0.02 . 1 . . . . . . . . 6016 1 299 . 1 1 91 91 GLU CA C 13 54.257 0.1 . 1 . . . . . . . . 6016 1 300 . 1 1 91 91 GLU CB C 13 32.881 0.1 . 1 . . . . . . . . 6016 1 301 . 1 1 91 91 GLU C C 13 175.700 0.1 . 1 . . . . . . . . 6016 1 302 . 1 1 92 92 GLY N N 15 107.802 0.2 . 1 . . . . . . . . 6016 1 303 . 1 1 92 92 GLY H H 1 8.906 0.02 . 1 . . . . . . . . 6016 1 304 . 1 1 92 92 GLY CA C 13 46.042 0.1 . 1 . . . . . . . . 6016 1 305 . 1 1 92 92 GLY C C 13 172.764 0.1 . 1 . . . . . . . . 6016 1 306 . 1 1 93 93 GLU N N 15 121.496 0.2 . 1 . . . . . . . . 6016 1 307 . 1 1 93 93 GLU H H 1 8.495 0.02 . 1 . . . . . . . . 6016 1 308 . 1 1 93 93 GLU CA C 13 54.733 0.1 . 1 . . . . . . . . 6016 1 309 . 1 1 93 93 GLU CB C 13 32.020 0.1 . 1 . . . . . . . . 6016 1 310 . 1 1 93 93 GLU C C 13 176.703 0.1 . 1 . . . . . . . . 6016 1 311 . 1 1 94 94 LEU N N 15 123.759 0.2 . 1 . . . . . . . . 6016 1 312 . 1 1 94 94 LEU H H 1 9.044 0.02 . 1 . . . . . . . . 6016 1 313 . 1 1 94 94 LEU CA C 13 54.776 0.1 . 1 . . . . . . . . 6016 1 314 . 1 1 94 94 LEU CB C 13 43.438 0.1 . 1 . . . . . . . . 6016 1 315 . 1 1 94 94 LEU C C 13 176.986 0.1 . 1 . . . . . . . . 6016 1 316 . 1 1 95 95 GLY N N 15 111.857 0.2 . 1 . . . . . . . . 6016 1 317 . 1 1 95 95 GLY H H 1 8.683 0.02 . 1 . . . . . . . . 6016 1 318 . 1 1 95 95 GLY CA C 13 45.495 0.1 . 1 . . . . . . . . 6016 1 319 . 1 1 95 95 GLY C C 13 171.076 0.1 . 1 . . . . . . . . 6016 1 320 . 1 1 96 96 THR N N 15 109.156 0.2 . 1 . . . . . . . . 6016 1 321 . 1 1 96 96 THR H H 1 9.057 0.02 . 1 . . . . . . . . 6016 1 322 . 1 1 96 96 THR CA C 13 58.853 0.1 . 1 . . . . . . . . 6016 1 323 . 1 1 96 96 THR CB C 13 72.335 0.1 . 1 . . . . . . . . 6016 1 324 . 1 1 96 96 THR C C 13 173.313 0.1 . 1 . . . . . . . . 6016 1 325 . 1 1 97 97 ASP N N 15 116.940 0.2 . 1 . . . . . . . . 6016 1 326 . 1 1 97 97 ASP H H 1 8.420 0.02 . 1 . . . . . . . . 6016 1 327 . 1 1 97 97 ASP CA C 13 52.180 0.1 . 1 . . . . . . . . 6016 1 328 . 1 1 97 97 ASP CB C 13 43.248 0.1 . 1 . . . . . . . . 6016 1 329 . 1 1 97 97 ASP C C 13 174.175 0.1 . 1 . . . . . . . . 6016 1 330 . 1 1 98 98 LEU N N 15 120.055 0.2 . 1 . . . . . . . . 6016 1 331 . 1 1 98 98 LEU H H 1 9.785 0.02 . 1 . . . . . . . . 6016 1 332 . 1 1 98 98 LEU CA C 13 53.668 0.1 . 1 . . . . . . . . 6016 1 333 . 1 1 98 98 LEU CB C 13 40.950 0.1 . 1 . . . . . . . . 6016 1 334 . 1 1 98 98 LEU C C 13 177.552 0.1 . 1 . . . . . . . . 6016 1 335 . 1 1 99 99 VAL N N 15 124.343 0.2 . 1 . . . . . . . . 6016 1 336 . 1 1 99 99 VAL H H 1 9.421 0.02 . 1 . . . . . . . . 6016 1 337 . 1 1 99 99 VAL CA C 13 60.244 0.1 . 1 . . . . . . . . 6016 1 338 . 1 1 99 99 VAL CB C 13 35.261 0.1 . 1 . . . . . . . . 6016 1 339 . 1 1 99 99 VAL C C 13 174.600 0.1 . 1 . . . . . . . . 6016 1 340 . 1 1 100 100 SER N N 15 119.828 0.2 . 1 . . . . . . . . 6016 1 341 . 1 1 100 100 SER H H 1 8.661 0.02 . 1 . . . . . . . . 6016 1 342 . 1 1 100 100 SER CA C 13 56.553 0.1 . 1 . . . . . . . . 6016 1 343 . 1 1 100 100 SER CB C 13 66.408 0.1 . 1 . . . . . . . . 6016 1 344 . 1 1 100 100 SER C C 13 172.900 0.1 . 1 . . . . . . . . 6016 1 345 . 1 1 101 101 ILE N N 15 122.781 0.2 . 1 . . . . . . . . 6016 1 346 . 1 1 101 101 ILE H H 1 9.235 0.02 . 1 . . . . . . . . 6016 1 347 . 1 1 101 101 ILE CA C 13 57.902 0.1 . 1 . . . . . . . . 6016 1 348 . 1 1 101 101 ILE CB C 13 38.718 0.1 . 1 . . . . . . . . 6016 1 349 . 1 1 102 102 PRO C C 13 178.216 0.1 . 1 . . . . . . . . 6016 1 350 . 1 1 103 103 HIS N N 15 118.366 0.2 . 1 . . . . . . . . 6016 1 351 . 1 1 103 103 HIS H H 1 9.140 0.02 . 1 . . . . . . . . 6016 1 352 . 1 1 103 103 HIS CA C 13 53.595 0.1 . 1 . . . . . . . . 6016 1 353 . 1 1 103 103 HIS CB C 13 28.660 0.1 . 1 . . . . . . . . 6016 1 354 . 1 1 103 103 HIS C C 13 173.720 0.1 . 1 . . . . . . . . 6016 1 355 . 1 1 104 104 GLY N N 15 106.284 0.2 . 1 . . . . . . . . 6016 1 356 . 1 1 104 104 GLY H H 1 7.123 0.02 . 1 . . . . . . . . 6016 1 357 . 1 1 104 104 GLY CA C 13 44.638 0.1 . 1 . . . . . . . . 6016 1 358 . 1 1 106 106 ASN C C 13 174.555 0.1 . 1 . . . . . . . . 6016 1 359 . 1 1 107 107 VAL N N 15 113.638 0.2 . 1 . . . . . . . . 6016 1 360 . 1 1 107 107 VAL H H 1 7.621 0.02 . 1 . . . . . . . . 6016 1 361 . 1 1 107 107 VAL CA C 13 58.723 0.1 . 1 . . . . . . . . 6016 1 362 . 1 1 107 107 VAL CB C 13 34.866 0.1 . 1 . . . . . . . . 6016 1 363 . 1 1 107 107 VAL C C 13 174.798 0.1 . 1 . . . . . . . . 6016 1 364 . 1 1 108 108 THR N N 15 120.003 0.2 . 1 . . . . . . . . 6016 1 365 . 1 1 108 108 THR H H 1 8.327 0.02 . 1 . . . . . . . . 6016 1 366 . 1 1 108 108 THR CA C 13 61.637 0.1 . 1 . . . . . . . . 6016 1 367 . 1 1 108 108 THR CB C 13 70.500 0.1 . 1 . . . . . . . . 6016 1 368 . 1 1 108 108 THR C C 13 173.005 0.1 . 1 . . . . . . . . 6016 1 369 . 1 1 109 109 VAL N N 15 121.479 0.2 . 1 . . . . . . . . 6016 1 370 . 1 1 109 109 VAL H H 1 8.538 0.02 . 1 . . . . . . . . 6016 1 371 . 1 1 109 109 VAL CA C 13 58.698 0.1 . 1 . . . . . . . . 6016 1 372 . 1 1 109 109 VAL CB C 13 34.756 0.1 . 1 . . . . . . . . 6016 1 373 . 1 1 109 109 VAL C C 13 174.213 0.1 . 1 . . . . . . . . 6016 1 374 . 1 1 110 110 ARG N N 15 125.902 0.2 . 1 . . . . . . . . 6016 1 375 . 1 1 110 110 ARG H H 1 8.999 0.02 . 1 . . . . . . . . 6016 1 376 . 1 1 110 110 ARG CA C 13 55.521 0.1 . 1 . . . . . . . . 6016 1 377 . 1 1 110 110 ARG CB C 13 34.899 0.1 . 1 . . . . . . . . 6016 1 378 . 1 1 110 110 ARG C C 13 174.512 0.1 . 1 . . . . . . . . 6016 1 379 . 1 1 111 111 ALA N N 15 131.116 0.2 . 1 . . . . . . . . 6016 1 380 . 1 1 111 111 ALA H H 1 8.669 0.02 . 1 . . . . . . . . 6016 1 381 . 1 1 111 111 ALA CA C 13 49.110 0.1 . 1 . . . . . . . . 6016 1 382 . 1 1 111 111 ALA CB C 13 22.610 0.1 . 1 . . . . . . . . 6016 1 383 . 1 1 111 111 ALA C C 13 175.684 0.1 . 1 . . . . . . . . 6016 1 384 . 1 1 112 112 ASN N N 15 116.663 0.2 . 1 . . . . . . . . 6016 1 385 . 1 1 112 112 ASN H H 1 8.594 0.02 . 1 . . . . . . . . 6016 1 386 . 1 1 112 112 ASN CA C 13 53.990 0.1 . 1 . . . . . . . . 6016 1 387 . 1 1 112 112 ASN CB C 13 39.230 0.1 . 1 . . . . . . . . 6016 1 388 . 1 1 112 112 ASN C C 13 175.083 0.1 . 1 . . . . . . . . 6016 1 389 . 1 1 113 113 ILE N N 15 121.486 0.2 . 1 . . . . . . . . 6016 1 390 . 1 1 113 113 ILE H H 1 9.406 0.02 . 1 . . . . . . . . 6016 1 391 . 1 1 113 113 ILE CA C 13 60.347 0.1 . 1 . . . . . . . . 6016 1 392 . 1 1 113 113 ILE CB C 13 41.848 0.1 . 1 . . . . . . . . 6016 1 393 . 1 1 113 113 ILE C C 13 174.575 0.1 . 1 . . . . . . . . 6016 1 394 . 1 1 114 114 ALA N N 15 129.079 0.2 . 1 . . . . . . . . 6016 1 395 . 1 1 114 114 ALA H H 1 8.555 0.02 . 1 . . . . . . . . 6016 1 396 . 1 1 114 114 ALA CA C 13 50.085 0.1 . 1 . . . . . . . . 6016 1 397 . 1 1 114 114 ALA CB C 13 19.141 0.1 . 1 . . . . . . . . 6016 1 398 . 1 1 114 114 ALA C C 13 173.905 0.1 . 1 . . . . . . . . 6016 1 399 . 1 1 115 115 ALA N N 15 129.751 0.2 . 1 . . . . . . . . 6016 1 400 . 1 1 115 115 ALA H H 1 9.029 0.02 . 1 . . . . . . . . 6016 1 401 . 1 1 115 115 ALA CA C 13 50.325 0.1 . 1 . . . . . . . . 6016 1 402 . 1 1 115 115 ALA CB C 13 16.300 0.1 . 1 . . . . . . . . 6016 1 403 . 1 1 115 115 ALA C C 13 175.679 0.1 . 1 . . . . . . . . 6016 1 404 . 1 1 116 116 ILE N N 15 125.471 0.2 . 1 . . . . . . . . 6016 1 405 . 1 1 116 116 ILE H H 1 9.053 0.02 . 1 . . . . . . . . 6016 1 406 . 1 1 116 116 ILE CA C 13 63.122 0.1 . 1 . . . . . . . . 6016 1 407 . 1 1 116 116 ILE CB C 13 37.995 0.1 . 1 . . . . . . . . 6016 1 408 . 1 1 116 116 ILE C C 13 177.065 0.1 . 1 . . . . . . . . 6016 1 409 . 1 1 117 117 THR N N 15 122.547 0.2 . 1 . . . . . . . . 6016 1 410 . 1 1 117 117 THR H H 1 9.041 0.02 . 1 . . . . . . . . 6016 1 411 . 1 1 117 117 THR CA C 13 61.530 0.1 . 1 . . . . . . . . 6016 1 412 . 1 1 117 117 THR CB C 13 68.178 0.1 . 1 . . . . . . . . 6016 1 413 . 1 1 117 117 THR C C 13 174.602 0.1 . 1 . . . . . . . . 6016 1 414 . 1 1 118 118 GLU N N 15 123.286 0.2 . 1 . . . . . . . . 6016 1 415 . 1 1 118 118 GLU H H 1 7.806 0.02 . 1 . . . . . . . . 6016 1 416 . 1 1 118 118 GLU CA C 13 55.972 0.1 . 1 . . . . . . . . 6016 1 417 . 1 1 118 118 GLU CB C 13 32.583 0.1 . 1 . . . . . . . . 6016 1 418 . 1 1 118 118 GLU C C 13 173.947 0.1 . 1 . . . . . . . . 6016 1 419 . 1 1 119 119 SER N N 15 115.487 0.2 . 1 . . . . . . . . 6016 1 420 . 1 1 119 119 SER H H 1 8.638 0.02 . 1 . . . . . . . . 6016 1 421 . 1 1 119 119 SER CA C 13 58.687 0.1 . 1 . . . . . . . . 6016 1 422 . 1 1 119 119 SER CB C 13 65.264 0.1 . 1 . . . . . . . . 6016 1 423 . 1 1 119 119 SER C C 13 172.636 0.1 . 1 . . . . . . . . 6016 1 424 . 1 1 120 120 ASP N N 15 120.025 0.2 . 1 . . . . . . . . 6016 1 425 . 1 1 120 120 ASP H H 1 8.767 0.02 . 1 . . . . . . . . 6016 1 426 . 1 1 120 120 ASP CA C 13 54.221 0.1 . 1 . . . . . . . . 6016 1 427 . 1 1 120 120 ASP CB C 13 44.046 0.1 . 1 . . . . . . . . 6016 1 428 . 1 1 120 120 ASP C C 13 174.210 0.1 . 1 . . . . . . . . 6016 1 429 . 1 1 121 121 LYS N N 15 120.711 0.2 . 1 . . . . . . . . 6016 1 430 . 1 1 121 121 LYS H H 1 8.672 0.02 . 1 . . . . . . . . 6016 1 431 . 1 1 121 121 LYS CA C 13 57.420 0.1 . 1 . . . . . . . . 6016 1 432 . 1 1 121 121 LYS CB C 13 29.015 0.1 . 1 . . . . . . . . 6016 1 433 . 1 1 121 121 LYS C C 13 173.605 0.1 . 1 . . . . . . . . 6016 1 434 . 1 1 122 122 PHE N N 15 119.690 0.2 . 1 . . . . . . . . 6016 1 435 . 1 1 122 122 PHE H H 1 8.379 0.02 . 1 . . . . . . . . 6016 1 436 . 1 1 122 122 PHE CA C 13 58.650 0.1 . 1 . . . . . . . . 6016 1 437 . 1 1 122 122 PHE CB C 13 41.663 0.1 . 1 . . . . . . . . 6016 1 438 . 1 1 122 122 PHE C C 13 174.573 0.1 . 1 . . . . . . . . 6016 1 439 . 1 1 123 123 PHE N N 15 116.968 0.2 . 1 . . . . . . . . 6016 1 440 . 1 1 123 123 PHE H H 1 8.137 0.02 . 1 . . . . . . . . 6016 1 441 . 1 1 123 123 PHE CA C 13 57.620 0.1 . 1 . . . . . . . . 6016 1 442 . 1 1 123 123 PHE CB C 13 38.087 0.1 . 1 . . . . . . . . 6016 1 443 . 1 1 123 123 PHE C C 13 176.038 0.1 . 1 . . . . . . . . 6016 1 444 . 1 1 124 124 ILE N N 15 122.209 0.2 . 1 . . . . . . . . 6016 1 445 . 1 1 124 124 ILE H H 1 7.932 0.02 . 1 . . . . . . . . 6016 1 446 . 1 1 124 124 ILE CA C 13 59.233 0.1 . 1 . . . . . . . . 6016 1 447 . 1 1 124 124 ILE CB C 13 39.605 0.1 . 1 . . . . . . . . 6016 1 448 . 1 1 129 129 TRP C C 13 173.530 0.1 . 1 . . . . . . . . 6016 1 449 . 1 1 130 130 GLU H H 1 11.141 0.02 . 1 . . . . . . . . 6016 1 450 . 1 1 130 130 GLU C C 13 174.899 0.1 . 1 . . . . . . . . 6016 1 451 . 1 1 131 131 GLY N N 15 106.782 0.2 . 1 . . . . . . . . 6016 1 452 . 1 1 131 131 GLY H H 1 8.262 0.02 . 1 . . . . . . . . 6016 1 453 . 1 1 131 131 GLY CA C 13 45.911 0.1 . 1 . . . . . . . . 6016 1 454 . 1 1 131 131 GLY C C 13 169.289 0.1 . 1 . . . . . . . . 6016 1 455 . 1 1 132 132 ILE N N 15 119.459 0.2 . 1 . . . . . . . . 6016 1 456 . 1 1 132 132 ILE H H 1 9.829 0.02 . 1 . . . . . . . . 6016 1 457 . 1 1 132 132 ILE CA C 13 60.263 0.1 . 1 . . . . . . . . 6016 1 458 . 1 1 132 132 ILE CB C 13 42.201 0.1 . 1 . . . . . . . . 6016 1 459 . 1 1 132 132 ILE C C 13 171.045 0.1 . 1 . . . . . . . . 6016 1 460 . 1 1 133 133 LEU N N 15 127.736 0.2 . 1 . . . . . . . . 6016 1 461 . 1 1 133 133 LEU H H 1 9.376 0.02 . 1 . . . . . . . . 6016 1 462 . 1 1 133 133 LEU CA C 13 52.664 0.1 . 1 . . . . . . . . 6016 1 463 . 1 1 133 133 LEU CB C 13 41.865 0.1 . 1 . . . . . . . . 6016 1 464 . 1 1 133 133 LEU C C 13 173.604 0.1 . 1 . . . . . . . . 6016 1 465 . 1 1 134 134 GLY N N 15 113.316 0.2 . 1 . . . . . . . . 6016 1 466 . 1 1 134 134 GLY H H 1 7.261 0.02 . 1 . . . . . . . . 6016 1 467 . 1 1 134 134 GLY CA C 13 47.449 0.1 . 1 . . . . . . . . 6016 1 468 . 1 1 134 134 GLY C C 13 176.098 0.1 . 1 . . . . . . . . 6016 1 469 . 1 1 135 135 LEU N N 15 128.715 0.2 . 1 . . . . . . . . 6016 1 470 . 1 1 135 135 LEU H H 1 8.242 0.02 . 1 . . . . . . . . 6016 1 471 . 1 1 135 135 LEU CA C 13 54.739 0.1 . 1 . . . . . . . . 6016 1 472 . 1 1 135 135 LEU CB C 13 42.905 0.1 . 1 . . . . . . . . 6016 1 473 . 1 1 135 135 LEU C C 13 175.630 0.1 . 1 . . . . . . . . 6016 1 474 . 1 1 136 136 ALA N N 15 125.587 0.2 . 1 . . . . . . . . 6016 1 475 . 1 1 136 136 ALA H H 1 8.584 0.02 . 1 . . . . . . . . 6016 1 476 . 1 1 136 136 ALA CA C 13 51.524 0.1 . 1 . . . . . . . . 6016 1 477 . 1 1 136 136 ALA CB C 13 14.675 0.1 . 1 . . . . . . . . 6016 1 478 . 1 1 136 136 ALA C C 13 175.183 0.1 . 1 . . . . . . . . 6016 1 479 . 1 1 137 137 TYR N N 15 112.180 0.2 . 1 . . . . . . . . 6016 1 480 . 1 1 137 137 TYR H H 1 7.280 0.02 . 1 . . . . . . . . 6016 1 481 . 1 1 137 137 TYR CA C 13 58.402 0.1 . 1 . . . . . . . . 6016 1 482 . 1 1 137 137 TYR CB C 13 38.320 0.1 . 1 . . . . . . . . 6016 1 483 . 1 1 137 137 TYR C C 13 178.376 0.1 . 1 . . . . . . . . 6016 1 484 . 1 1 138 138 ALA N N 15 124.565 0.2 . 1 . . . . . . . . 6016 1 485 . 1 1 138 138 ALA H H 1 9.864 0.02 . 1 . . . . . . . . 6016 1 486 . 1 1 138 138 ALA CA C 13 55.046 0.1 . 1 . . . . . . . . 6016 1 487 . 1 1 138 138 ALA CB C 13 17.204 0.1 . 1 . . . . . . . . 6016 1 488 . 1 1 138 138 ALA C C 13 178.207 0.1 . 1 . . . . . . . . 6016 1 489 . 1 1 139 139 GLU N N 15 114.713 0.2 . 1 . . . . . . . . 6016 1 490 . 1 1 139 139 GLU H H 1 8.104 0.02 . 1 . . . . . . . . 6016 1 491 . 1 1 139 139 GLU CA C 13 59.352 0.1 . 1 . . . . . . . . 6016 1 492 . 1 1 139 139 GLU CB C 13 30.300 0.1 . 1 . . . . . . . . 6016 1 493 . 1 1 139 139 GLU C C 13 177.664 0.1 . 1 . . . . . . . . 6016 1 494 . 1 1 140 140 ILE N N 15 105.102 0.2 . 1 . . . . . . . . 6016 1 495 . 1 1 140 140 ILE H H 1 6.712 0.02 . 1 . . . . . . . . 6016 1 496 . 1 1 140 140 ILE CA C 13 59.719 0.1 . 1 . . . . . . . . 6016 1 497 . 1 1 140 140 ILE CB C 13 36.547 0.1 . 1 . . . . . . . . 6016 1 498 . 1 1 140 140 ILE C C 13 176.477 0.1 . 1 . . . . . . . . 6016 1 499 . 1 1 141 141 ALA N N 15 127.766 0.2 . 1 . . . . . . . . 6016 1 500 . 1 1 141 141 ALA H H 1 7.921 0.02 . 1 . . . . . . . . 6016 1 501 . 1 1 141 141 ALA CA C 13 52.931 0.1 . 1 . . . . . . . . 6016 1 502 . 1 1 141 141 ALA CB C 13 18.760 0.1 . 1 . . . . . . . . 6016 1 503 . 1 1 141 141 ALA C C 13 175.442 0.1 . 1 . . . . . . . . 6016 1 504 . 1 1 142 142 ARG N N 15 118.789 0.2 . 1 . . . . . . . . 6016 1 505 . 1 1 142 142 ARG H H 1 8.590 0.02 . 1 . . . . . . . . 6016 1 506 . 1 1 142 142 ARG CA C 13 51.662 0.1 . 1 . . . . . . . . 6016 1 507 . 1 1 142 142 ARG CB C 13 28.985 0.1 . 1 . . . . . . . . 6016 1 508 . 1 1 143 143 PRO C C 13 175.839 0.1 . 1 . . . . . . . . 6016 1 509 . 1 1 144 144 ASP N N 15 115.891 0.2 . 1 . . . . . . . . 6016 1 510 . 1 1 144 144 ASP H H 1 7.318 0.02 . 1 . . . . . . . . 6016 1 511 . 1 1 144 144 ASP CA C 13 52.892 0.1 . 1 . . . . . . . . 6016 1 512 . 1 1 144 144 ASP CB C 13 41.324 0.1 . 1 . . . . . . . . 6016 1 513 . 1 1 144 144 ASP C C 13 173.490 0.1 . 1 . . . . . . . . 6016 1 514 . 1 1 145 145 ASP N N 15 113.745 0.2 . 1 . . . . . . . . 6016 1 515 . 1 1 145 145 ASP H H 1 8.055 0.02 . 1 . . . . . . . . 6016 1 516 . 1 1 145 145 ASP CA C 13 54.159 0.1 . 1 . . . . . . . . 6016 1 517 . 1 1 145 145 ASP CB C 13 40.574 0.1 . 1 . . . . . . . . 6016 1 518 . 1 1 145 145 ASP C C 13 176.349 0.1 . 1 . . . . . . . . 6016 1 519 . 1 1 146 146 SER N N 15 116.505 0.2 . 1 . . . . . . . . 6016 1 520 . 1 1 146 146 SER H H 1 8.721 0.02 . 1 . . . . . . . . 6016 1 521 . 1 1 146 146 SER CA C 13 59.791 0.1 . 1 . . . . . . . . 6016 1 522 . 1 1 146 146 SER CB C 13 63.241 0.1 . 1 . . . . . . . . 6016 1 523 . 1 1 146 146 SER C C 13 174.818 0.1 . 1 . . . . . . . . 6016 1 524 . 1 1 147 147 LEU N N 15 127.601 0.2 . 1 . . . . . . . . 6016 1 525 . 1 1 147 147 LEU H H 1 7.409 0.02 . 1 . . . . . . . . 6016 1 526 . 1 1 147 147 LEU CA C 13 53.087 0.1 . 1 . . . . . . . . 6016 1 527 . 1 1 147 147 LEU CB C 13 39.505 0.1 . 1 . . . . . . . . 6016 1 528 . 1 1 147 147 LEU C C 13 174.496 0.1 . 1 . . . . . . . . 6016 1 529 . 1 1 148 148 GLU N N 15 130.101 0.2 . 1 . . . . . . . . 6016 1 530 . 1 1 148 148 GLU H H 1 7.509 0.02 . 1 . . . . . . . . 6016 1 531 . 1 1 148 148 GLU CA C 13 55.722 0.1 . 1 . . . . . . . . 6016 1 532 . 1 1 148 148 GLU CB C 13 32.548 0.1 . 1 . . . . . . . . 6016 1 533 . 1 1 149 149 PRO C C 13 175.493 0.1 . 1 . . . . . . . . 6016 1 534 . 1 1 150 150 PHE N N 15 122.368 0.2 . 1 . . . . . . . . 6016 1 535 . 1 1 150 150 PHE H H 1 9.100 0.02 . 1 . . . . . . . . 6016 1 536 . 1 1 150 150 PHE CA C 13 62.104 0.1 . 1 . . . . . . . . 6016 1 537 . 1 1 150 150 PHE CB C 13 39.960 0.1 . 1 . . . . . . . . 6016 1 538 . 1 1 150 150 PHE C C 13 176.444 0.1 . 1 . . . . . . . . 6016 1 539 . 1 1 151 151 PHE N N 15 120.081 0.2 . 1 . . . . . . . . 6016 1 540 . 1 1 151 151 PHE H H 1 9.948 0.02 . 1 . . . . . . . . 6016 1 541 . 1 1 151 151 PHE CA C 13 62.093 0.1 . 1 . . . . . . . . 6016 1 542 . 1 1 151 151 PHE CB C 13 39.416 0.1 . 1 . . . . . . . . 6016 1 543 . 1 1 151 151 PHE C C 13 176.952 0.1 . 1 . . . . . . . . 6016 1 544 . 1 1 152 152 ASP N N 15 114.964 0.2 . 1 . . . . . . . . 6016 1 545 . 1 1 152 152 ASP H H 1 7.020 0.02 . 1 . . . . . . . . 6016 1 546 . 1 1 152 152 ASP CA C 13 57.018 0.1 . 1 . . . . . . . . 6016 1 547 . 1 1 152 152 ASP CB C 13 40.255 0.1 . 1 . . . . . . . . 6016 1 548 . 1 1 152 152 ASP C C 13 178.587 0.1 . 1 . . . . . . . . 6016 1 549 . 1 1 153 153 SER N N 15 116.799 0.2 . 1 . . . . . . . . 6016 1 550 . 1 1 153 153 SER H H 1 7.755 0.02 . 1 . . . . . . . . 6016 1 551 . 1 1 153 153 SER CA C 13 61.204 0.1 . 1 . . . . . . . . 6016 1 552 . 1 1 153 153 SER C C 13 174.882 0.1 . 1 . . . . . . . . 6016 1 553 . 1 1 154 154 LEU N N 15 121.854 0.2 . 1 . . . . . . . . 6016 1 554 . 1 1 154 154 LEU H H 1 7.920 0.02 . 1 . . . . . . . . 6016 1 555 . 1 1 154 154 LEU CA C 13 57.780 0.1 . 1 . . . . . . . . 6016 1 556 . 1 1 154 154 LEU CB C 13 39.605 0.1 . 1 . . . . . . . . 6016 1 557 . 1 1 154 154 LEU C C 13 179.189 0.1 . 1 . . . . . . . . 6016 1 558 . 1 1 155 155 VAL N N 15 120.395 0.2 . 1 . . . . . . . . 6016 1 559 . 1 1 155 155 VAL H H 1 7.735 0.02 . 1 . . . . . . . . 6016 1 560 . 1 1 155 155 VAL CA C 13 64.950 0.1 . 1 . . . . . . . . 6016 1 561 . 1 1 155 155 VAL CB C 13 30.577 0.1 . 1 . . . . . . . . 6016 1 562 . 1 1 155 155 VAL C C 13 178.004 0.1 . 1 . . . . . . . . 6016 1 563 . 1 1 156 156 LYS N N 15 118.384 0.2 . 1 . . . . . . . . 6016 1 564 . 1 1 156 156 LYS H H 1 7.694 0.02 . 1 . . . . . . . . 6016 1 565 . 1 1 156 156 LYS CA C 13 58.923 0.1 . 1 . . . . . . . . 6016 1 566 . 1 1 156 156 LYS CB C 13 32.265 0.1 . 1 . . . . . . . . 6016 1 567 . 1 1 156 156 LYS C C 13 179.252 0.1 . 1 . . . . . . . . 6016 1 568 . 1 1 157 157 GLN N N 15 113.672 0.2 . 1 . . . . . . . . 6016 1 569 . 1 1 157 157 GLN H H 1 7.855 0.02 . 1 . . . . . . . . 6016 1 570 . 1 1 157 157 GLN CA C 13 56.763 0.1 . 1 . . . . . . . . 6016 1 571 . 1 1 157 157 GLN CB C 13 30.158 0.1 . 1 . . . . . . . . 6016 1 572 . 1 1 157 157 GLN C C 13 176.738 0.1 . 1 . . . . . . . . 6016 1 573 . 1 1 158 158 THR N N 15 108.762 0.2 . 1 . . . . . . . . 6016 1 574 . 1 1 158 158 THR H H 1 7.256 0.02 . 1 . . . . . . . . 6016 1 575 . 1 1 158 158 THR CA C 13 60.733 0.1 . 1 . . . . . . . . 6016 1 576 . 1 1 158 158 THR CB C 13 70.700 0.1 . 1 . . . . . . . . 6016 1 577 . 1 1 161 161 PRO C C 13 176.385 0.1 . 1 . . . . . . . . 6016 1 578 . 1 1 162 162 ASN N N 15 117.524 0.2 . 1 . . . . . . . . 6016 1 579 . 1 1 162 162 ASN H H 1 8.300 0.02 . 1 . . . . . . . . 6016 1 580 . 1 1 162 162 ASN CA C 13 51.792 0.1 . 1 . . . . . . . . 6016 1 581 . 1 1 162 162 ASN CB C 13 36.679 0.1 . 1 . . . . . . . . 6016 1 582 . 1 1 162 162 ASN C C 13 173.901 0.1 . 1 . . . . . . . . 6016 1 583 . 1 1 163 163 LEU N N 15 122.614 0.2 . 1 . . . . . . . . 6016 1 584 . 1 1 163 163 LEU H H 1 9.127 0.02 . 1 . . . . . . . . 6016 1 585 . 1 1 163 163 LEU CA C 13 56.077 0.1 . 1 . . . . . . . . 6016 1 586 . 1 1 163 163 LEU CB C 13 44.335 0.1 . 1 . . . . . . . . 6016 1 587 . 1 1 163 163 LEU C C 13 174.810 0.1 . 1 . . . . . . . . 6016 1 588 . 1 1 164 164 PHE N N 15 116.408 0.2 . 1 . . . . . . . . 6016 1 589 . 1 1 164 164 PHE H H 1 7.796 0.02 . 1 . . . . . . . . 6016 1 590 . 1 1 164 164 PHE CA C 13 53.818 0.1 . 1 . . . . . . . . 6016 1 591 . 1 1 164 164 PHE CB C 13 40.779 0.1 . 1 . . . . . . . . 6016 1 592 . 1 1 164 164 PHE C C 13 171.823 0.1 . 1 . . . . . . . . 6016 1 593 . 1 1 165 165 SER N N 15 113.699 0.2 . 1 . . . . . . . . 6016 1 594 . 1 1 165 165 SER H H 1 9.495 0.02 . 1 . . . . . . . . 6016 1 595 . 1 1 165 165 SER CA C 13 55.803 0.1 . 1 . . . . . . . . 6016 1 596 . 1 1 165 165 SER CB C 13 66.718 0.1 . 1 . . . . . . . . 6016 1 597 . 1 1 165 165 SER C C 13 172.034 0.1 . 1 . . . . . . . . 6016 1 598 . 1 1 166 166 LEU N N 15 121.591 0.2 . 1 . . . . . . . . 6016 1 599 . 1 1 166 166 LEU H H 1 9.265 0.02 . 1 . . . . . . . . 6016 1 600 . 1 1 166 166 LEU CA C 13 53.342 0.1 . 1 . . . . . . . . 6016 1 601 . 1 1 166 166 LEU CB C 13 46.208 0.1 . 1 . . . . . . . . 6016 1 602 . 1 1 166 166 LEU C C 13 174.781 0.1 . 1 . . . . . . . . 6016 1 603 . 1 1 167 167 GLN N N 15 127.677 0.2 . 1 . . . . . . . . 6016 1 604 . 1 1 167 167 GLN H H 1 9.472 0.02 . 1 . . . . . . . . 6016 1 605 . 1 1 167 167 GLN CA C 13 53.910 0.1 . 1 . . . . . . . . 6016 1 606 . 1 1 167 167 GLN CB C 13 30.830 0.1 . 1 . . . . . . . . 6016 1 607 . 1 1 170 170 GLY C C 13 173.924 0.1 . 1 . . . . . . . . 6016 1 608 . 1 1 171 171 ALA N N 15 124.012 0.2 . 1 . . . . . . . . 6016 1 609 . 1 1 171 171 ALA H H 1 8.485 0.02 . 1 . . . . . . . . 6016 1 610 . 1 1 171 171 ALA CA C 13 52.559 0.1 . 1 . . . . . . . . 6016 1 611 . 1 1 171 171 ALA CB C 13 18.611 0.1 . 1 . . . . . . . . 6016 1 612 . 1 1 171 171 ALA C C 13 178.200 0.1 . 1 . . . . . . . . 6016 1 613 . 1 1 172 172 GLY N N 15 107.431 0.2 . 1 . . . . . . . . 6016 1 614 . 1 1 172 172 GLY H H 1 8.288 0.02 . 1 . . . . . . . . 6016 1 615 . 1 1 172 172 GLY CA C 13 45.091 0.1 . 1 . . . . . . . . 6016 1 616 . 1 1 172 172 GLY C C 13 173.602 0.1 . 1 . . . . . . . . 6016 1 617 . 1 1 173 173 PHE N N 15 122.100 0.2 . 1 . . . . . . . . 6016 1 618 . 1 1 173 173 PHE H H 1 7.791 0.02 . 1 . . . . . . . . 6016 1 619 . 1 1 173 173 PHE CA C 13 55.192 0.1 . 1 . . . . . . . . 6016 1 620 . 1 1 173 173 PHE CB C 13 38.548 0.1 . 1 . . . . . . . . 6016 1 621 . 1 1 179 179 GLU C C 13 176.366 0.1 . 1 . . . . . . . . 6016 1 622 . 1 1 180 180 VAL N N 15 119.551 0.2 . 1 . . . . . . . . 6016 1 623 . 1 1 180 180 VAL H H 1 7.924 0.02 . 1 . . . . . . . . 6016 1 624 . 1 1 180 180 VAL CA C 13 62.098 0.1 . 1 . . . . . . . . 6016 1 625 . 1 1 180 180 VAL CB C 13 32.042 0.1 . 1 . . . . . . . . 6016 1 626 . 1 1 180 180 VAL C C 13 176.165 0.1 . 1 . . . . . . . . 6016 1 627 . 1 1 181 181 LEU N N 15 124.947 0.2 . 1 . . . . . . . . 6016 1 628 . 1 1 181 181 LEU H H 1 8.124 0.02 . 1 . . . . . . . . 6016 1 629 . 1 1 181 181 LEU CA C 13 55.198 0.1 . 1 . . . . . . . . 6016 1 630 . 1 1 181 181 LEU CB C 13 41.505 0.1 . 1 . . . . . . . . 6016 1 631 . 1 1 181 181 LEU C C 13 176.818 0.1 . 1 . . . . . . . . 6016 1 632 . 1 1 182 182 ALA N N 15 123.476 0.2 . 1 . . . . . . . . 6016 1 633 . 1 1 182 182 ALA H H 1 8.205 0.02 . 1 . . . . . . . . 6016 1 634 . 1 1 182 182 ALA CA C 13 51.900 0.1 . 1 . . . . . . . . 6016 1 635 . 1 1 182 182 ALA CB C 13 19.030 0.1 . 1 . . . . . . . . 6016 1 636 . 1 1 182 182 ALA C C 13 176.729 0.1 . 1 . . . . . . . . 6016 1 637 . 1 1 183 183 SER N N 15 114.831 0.2 . 1 . . . . . . . . 6016 1 638 . 1 1 183 183 SER H H 1 8.015 0.02 . 1 . . . . . . . . 6016 1 639 . 1 1 183 183 SER CA C 13 58.211 0.1 . 1 . . . . . . . . 6016 1 640 . 1 1 183 183 SER CB C 13 64.370 0.1 . 1 . . . . . . . . 6016 1 641 . 1 1 183 183 SER C C 13 173.932 0.1 . 1 . . . . . . . . 6016 1 642 . 1 1 184 184 VAL N N 15 117.233 0.2 . 1 . . . . . . . . 6016 1 643 . 1 1 184 184 VAL H H 1 7.894 0.02 . 1 . . . . . . . . 6016 1 644 . 1 1 184 184 VAL CA C 13 60.046 0.1 . 1 . . . . . . . . 6016 1 645 . 1 1 184 184 VAL CB C 13 32.500 0.1 . 1 . . . . . . . . 6016 1 646 . 1 1 185 185 GLY N N 15 107.365 0.2 . 1 . . . . . . . . 6016 1 647 . 1 1 185 185 GLY C C 13 171.310 0.1 . 1 . . . . . . . . 6016 1 648 . 1 1 186 186 GLY N N 15 107.563 0.2 . 1 . . . . . . . . 6016 1 649 . 1 1 186 186 GLY H H 1 7.479 0.02 . 1 . . . . . . . . 6016 1 650 . 1 1 186 186 GLY CA C 13 45.609 0.1 . 1 . . . . . . . . 6016 1 651 . 1 1 186 186 GLY C C 13 172.848 0.1 . 1 . . . . . . . . 6016 1 652 . 1 1 187 187 SER N N 15 114.689 0.2 . 1 . . . . . . . . 6016 1 653 . 1 1 187 187 SER H H 1 9.375 0.02 . 1 . . . . . . . . 6016 1 654 . 1 1 187 187 SER CA C 13 58.130 0.1 . 1 . . . . . . . . 6016 1 655 . 1 1 187 187 SER CB C 13 66.671 0.1 . 1 . . . . . . . . 6016 1 656 . 1 1 187 187 SER C C 13 171.652 0.1 . 1 . . . . . . . . 6016 1 657 . 1 1 188 188 MET N N 15 128.246 0.2 . 1 . . . . . . . . 6016 1 658 . 1 1 188 188 MET H H 1 10.528 0.02 . 1 . . . . . . . . 6016 1 659 . 1 1 188 188 MET CA C 13 54.186 0.1 . 1 . . . . . . . . 6016 1 660 . 1 1 188 188 MET CB C 13 34.330 0.1 . 1 . . . . . . . . 6016 1 661 . 1 1 188 188 MET C C 13 173.881 0.1 . 1 . . . . . . . . 6016 1 662 . 1 1 189 189 ILE N N 15 126.287 0.2 . 1 . . . . . . . . 6016 1 663 . 1 1 189 189 ILE H H 1 8.719 0.02 . 1 . . . . . . . . 6016 1 664 . 1 1 189 189 ILE CA C 13 58.057 0.1 . 1 . . . . . . . . 6016 1 665 . 1 1 189 189 ILE CB C 13 34.224 0.1 . 1 . . . . . . . . 6016 1 666 . 1 1 189 189 ILE C C 13 176.476 0.1 . 1 . . . . . . . . 6016 1 667 . 1 1 190 190 ILE N N 15 129.937 0.2 . 1 . . . . . . . . 6016 1 668 . 1 1 190 190 ILE H H 1 7.943 0.02 . 1 . . . . . . . . 6016 1 669 . 1 1 190 190 ILE CA C 13 61.800 0.1 . 1 . . . . . . . . 6016 1 670 . 1 1 190 190 ILE CB C 13 37.670 0.1 . 1 . . . . . . . . 6016 1 671 . 1 1 190 190 ILE C C 13 174.763 0.1 . 1 . . . . . . . . 6016 1 672 . 1 1 191 191 GLY N N 15 114.725 0.2 . 1 . . . . . . . . 6016 1 673 . 1 1 191 191 GLY H H 1 8.770 0.02 . 1 . . . . . . . . 6016 1 674 . 1 1 191 191 GLY CA C 13 45.803 0.1 . 1 . . . . . . . . 6016 1 675 . 1 1 191 191 GLY C C 13 173.278 0.1 . 1 . . . . . . . . 6016 1 676 . 1 1 192 192 GLY N N 15 102.433 0.2 . 1 . . . . . . . . 6016 1 677 . 1 1 192 192 GLY H H 1 6.360 0.02 . 1 . . . . . . . . 6016 1 678 . 1 1 192 192 GLY CA C 13 45.320 0.1 . 1 . . . . . . . . 6016 1 679 . 1 1 192 192 GLY C C 13 169.209 0.1 . 1 . . . . . . . . 6016 1 680 . 1 1 193 193 ILE N N 15 119.499 0.2 . 1 . . . . . . . . 6016 1 681 . 1 1 193 193 ILE H H 1 7.815 0.02 . 1 . . . . . . . . 6016 1 682 . 1 1 193 193 ILE CA C 13 59.704 0.1 . 1 . . . . . . . . 6016 1 683 . 1 1 193 193 ILE CB C 13 41.346 0.1 . 1 . . . . . . . . 6016 1 684 . 1 1 193 193 ILE C C 13 173.586 0.1 . 1 . . . . . . . . 6016 1 685 . 1 1 194 194 ASP N N 15 125.423 0.2 . 1 . . . . . . . . 6016 1 686 . 1 1 194 194 ASP H H 1 7.737 0.02 . 1 . . . . . . . . 6016 1 687 . 1 1 194 194 ASP CA C 13 52.388 0.1 . 1 . . . . . . . . 6016 1 688 . 1 1 194 194 ASP CB C 13 41.845 0.1 . 1 . . . . . . . . 6016 1 689 . 1 1 194 194 ASP C C 13 176.309 0.1 . 1 . . . . . . . . 6016 1 690 . 1 1 195 195 HIS N N 15 122.913 0.2 . 1 . . . . . . . . 6016 1 691 . 1 1 195 195 HIS H H 1 8.053 0.02 . 1 . . . . . . . . 6016 1 692 . 1 1 195 195 HIS CA C 13 57.074 0.1 . 1 . . . . . . . . 6016 1 693 . 1 1 195 195 HIS CB C 13 28.845 0.1 . 1 . . . . . . . . 6016 1 694 . 1 1 196 196 SER C C 13 176.373 0.1 . 1 . . . . . . . . 6016 1 695 . 1 1 197 197 LEU N N 15 119.255 0.2 . 1 . . . . . . . . 6016 1 696 . 1 1 197 197 LEU H H 1 7.067 0.02 . 1 . . . . . . . . 6016 1 697 . 1 1 197 197 LEU CA C 13 54.996 0.1 . 1 . . . . . . . . 6016 1 698 . 1 1 197 197 LEU CB C 13 38.687 0.1 . 1 . . . . . . . . 6016 1 699 . 1 1 197 197 LEU C C 13 175.682 0.1 . 1 . . . . . . . . 6016 1 700 . 1 1 198 198 TYR N N 15 115.750 0.2 . 1 . . . . . . . . 6016 1 701 . 1 1 198 198 TYR H H 1 6.961 0.02 . 1 . . . . . . . . 6016 1 702 . 1 1 198 198 TYR CA C 13 54.568 0.1 . 1 . . . . . . . . 6016 1 703 . 1 1 198 198 TYR CB C 13 41.568 0.1 . 1 . . . . . . . . 6016 1 704 . 1 1 198 198 TYR C C 13 172.868 0.1 . 1 . . . . . . . . 6016 1 705 . 1 1 199 199 THR N N 15 111.087 0.2 . 1 . . . . . . . . 6016 1 706 . 1 1 199 199 THR H H 1 8.536 0.02 . 1 . . . . . . . . 6016 1 707 . 1 1 199 199 THR CA C 13 59.208 0.1 . 1 . . . . . . . . 6016 1 708 . 1 1 199 199 THR CB C 13 70.500 0.1 . 1 . . . . . . . . 6016 1 709 . 1 1 199 199 THR C C 13 174.795 0.1 . 1 . . . . . . . . 6016 1 710 . 1 1 200 200 GLY N N 15 110.471 0.2 . 1 . . . . . . . . 6016 1 711 . 1 1 200 200 GLY H H 1 8.588 0.02 . 1 . . . . . . . . 6016 1 712 . 1 1 200 200 GLY CA C 13 45.692 0.1 . 1 . . . . . . . . 6016 1 713 . 1 1 200 200 GLY C C 13 173.557 0.1 . 1 . . . . . . . . 6016 1 714 . 1 1 201 201 SER N N 15 116.894 0.2 . 1 . . . . . . . . 6016 1 715 . 1 1 201 201 SER H H 1 8.317 0.02 . 1 . . . . . . . . 6016 1 716 . 1 1 201 201 SER CA C 13 57.965 0.1 . 1 . . . . . . . . 6016 1 717 . 1 1 201 201 SER CB C 13 64.585 0.1 . 1 . . . . . . . . 6016 1 718 . 1 1 201 201 SER C C 13 173.682 0.1 . 1 . . . . . . . . 6016 1 719 . 1 1 202 202 LEU N N 15 123.580 0.2 . 1 . . . . . . . . 6016 1 720 . 1 1 202 202 LEU H H 1 8.029 0.02 . 1 . . . . . . . . 6016 1 721 . 1 1 202 202 LEU CA C 13 54.434 0.1 . 1 . . . . . . . . 6016 1 722 . 1 1 202 202 LEU CB C 13 43.232 0.1 . 1 . . . . . . . . 6016 1 723 . 1 1 202 202 LEU C C 13 176.352 0.1 . 1 . . . . . . . . 6016 1 724 . 1 1 203 203 TRP N N 15 125.233 0.2 . 1 . . . . . . . . 6016 1 725 . 1 1 203 203 TRP H H 1 8.072 0.02 . 1 . . . . . . . . 6016 1 726 . 1 1 203 203 TRP CA C 13 56.110 0.1 . 1 . . . . . . . . 6016 1 727 . 1 1 203 203 TRP CB C 13 29.816 0.1 . 1 . . . . . . . . 6016 1 728 . 1 1 203 203 TRP C C 13 174.240 0.1 . 1 . . . . . . . . 6016 1 729 . 1 1 204 204 TYR N N 15 117.494 0.2 . 1 . . . . . . . . 6016 1 730 . 1 1 204 204 TYR H H 1 8.156 0.02 . 1 . . . . . . . . 6016 1 731 . 1 1 204 204 TYR CA C 13 56.661 0.1 . 1 . . . . . . . . 6016 1 732 . 1 1 204 204 TYR CB C 13 41.331 0.1 . 1 . . . . . . . . 6016 1 733 . 1 1 204 204 TYR C C 13 175.148 0.1 . 1 . . . . . . . . 6016 1 734 . 1 1 205 205 THR N N 15 118.425 0.2 . 1 . . . . . . . . 6016 1 735 . 1 1 205 205 THR H H 1 9.610 0.02 . 1 . . . . . . . . 6016 1 736 . 1 1 205 205 THR CA C 13 55.306 0.1 . 1 . . . . . . . . 6016 1 737 . 1 1 205 205 THR CB C 13 72.247 0.1 . 1 . . . . . . . . 6016 1 738 . 1 1 206 206 PRO C C 13 177.389 0.1 . 1 . . . . . . . . 6016 1 739 . 1 1 207 207 ILE N N 15 124.005 0.2 . 1 . . . . . . . . 6016 1 740 . 1 1 207 207 ILE H H 1 8.146 0.02 . 1 . . . . . . . . 6016 1 741 . 1 1 207 207 ILE CA C 13 61.160 0.1 . 1 . . . . . . . . 6016 1 742 . 1 1 207 207 ILE CB C 13 37.845 0.1 . 1 . . . . . . . . 6016 1 743 . 1 1 207 207 ILE C C 13 176.832 0.1 . 1 . . . . . . . . 6016 1 744 . 1 1 208 208 ARG N N 15 131.450 0.2 . 1 . . . . . . . . 6016 1 745 . 1 1 208 208 ARG H H 1 8.854 0.02 . 1 . . . . . . . . 6016 1 746 . 1 1 208 208 ARG CA C 13 58.559 0.1 . 1 . . . . . . . . 6016 1 747 . 1 1 208 208 ARG CB C 13 30.789 0.1 . 1 . . . . . . . . 6016 1 748 . 1 1 208 208 ARG C C 13 175.786 0.1 . 1 . . . . . . . . 6016 1 749 . 1 1 209 209 ARG N N 15 115.783 0.2 . 1 . . . . . . . . 6016 1 750 . 1 1 209 209 ARG H H 1 7.071 0.02 . 1 . . . . . . . . 6016 1 751 . 1 1 209 209 ARG CA C 13 55.123 0.1 . 1 . . . . . . . . 6016 1 752 . 1 1 209 209 ARG CB C 13 32.565 0.1 . 1 . . . . . . . . 6016 1 753 . 1 1 209 209 ARG C C 13 173.944 0.1 . 1 . . . . . . . . 6016 1 754 . 1 1 210 210 GLU N N 15 125.558 0.2 . 1 . . . . . . . . 6016 1 755 . 1 1 210 210 GLU H H 1 8.483 0.02 . 1 . . . . . . . . 6016 1 756 . 1 1 210 210 GLU CA C 13 55.061 0.1 . 1 . . . . . . . . 6016 1 757 . 1 1 210 210 GLU CB C 13 31.270 0.1 . 1 . . . . . . . . 6016 1 758 . 1 1 210 210 GLU C C 13 174.259 0.1 . 1 . . . . . . . . 6016 1 759 . 1 1 211 211 TRP N N 15 123.366 0.2 . 1 . . . . . . . . 6016 1 760 . 1 1 211 211 TRP H H 1 8.705 0.02 . 1 . . . . . . . . 6016 1 761 . 1 1 211 211 TRP CA C 13 57.840 0.1 . 1 . . . . . . . . 6016 1 762 . 1 1 211 211 TRP C C 13 175.723 0.1 . 1 . . . . . . . . 6016 1 763 . 1 1 212 212 TYR N N 15 124.543 0.2 . 1 . . . . . . . . 6016 1 764 . 1 1 212 212 TYR H H 1 6.711 0.02 . 1 . . . . . . . . 6016 1 765 . 1 1 212 212 TYR CA C 13 58.867 0.1 . 1 . . . . . . . . 6016 1 766 . 1 1 212 212 TYR CB C 13 40.967 0.1 . 1 . . . . . . . . 6016 1 767 . 1 1 212 212 TYR C C 13 176.122 0.1 . 1 . . . . . . . . 6016 1 768 . 1 1 213 213 TYR N N 15 119.483 0.2 . 1 . . . . . . . . 6016 1 769 . 1 1 213 213 TYR H H 1 9.556 0.02 . 1 . . . . . . . . 6016 1 770 . 1 1 213 213 TYR CA C 13 59.046 0.1 . 1 . . . . . . . . 6016 1 771 . 1 1 213 213 TYR CB C 13 35.008 0.1 . 1 . . . . . . . . 6016 1 772 . 1 1 213 213 TYR C C 13 174.537 0.1 . 1 . . . . . . . . 6016 1 773 . 1 1 214 214 GLU N N 15 125.269 0.2 . 1 . . . . . . . . 6016 1 774 . 1 1 214 214 GLU H H 1 7.039 0.02 . 1 . . . . . . . . 6016 1 775 . 1 1 214 214 GLU CA C 13 54.960 0.1 . 1 . . . . . . . . 6016 1 776 . 1 1 214 214 GLU CB C 13 30.578 0.1 . 1 . . . . . . . . 6016 1 777 . 1 1 214 214 GLU C C 13 175.109 0.1 . 1 . . . . . . . . 6016 1 778 . 1 1 215 215 VAL N N 15 120.074 0.2 . 1 . . . . . . . . 6016 1 779 . 1 1 215 215 VAL H H 1 8.462 0.02 . 1 . . . . . . . . 6016 1 780 . 1 1 215 215 VAL CA C 13 58.339 0.1 . 1 . . . . . . . . 6016 1 781 . 1 1 215 215 VAL CB C 13 35.005 0.1 . 1 . . . . . . . . 6016 1 782 . 1 1 215 215 VAL C C 13 173.959 0.1 . 1 . . . . . . . . 6016 1 783 . 1 1 216 216 ILE N N 15 120.096 0.2 . 1 . . . . . . . . 6016 1 784 . 1 1 216 216 ILE H H 1 9.067 0.02 . 1 . . . . . . . . 6016 1 785 . 1 1 216 216 ILE CA C 13 59.915 0.1 . 1 . . . . . . . . 6016 1 786 . 1 1 216 216 ILE CB C 13 38.797 0.1 . 1 . . . . . . . . 6016 1 787 . 1 1 216 216 ILE C C 13 174.543 0.1 . 1 . . . . . . . . 6016 1 788 . 1 1 217 217 ILE N N 15 128.304 0.2 . 1 . . . . . . . . 6016 1 789 . 1 1 217 217 ILE H H 1 9.111 0.02 . 1 . . . . . . . . 6016 1 790 . 1 1 217 217 ILE CA C 13 59.947 0.1 . 1 . . . . . . . . 6016 1 791 . 1 1 217 217 ILE CB C 13 38.472 0.1 . 1 . . . . . . . . 6016 1 792 . 1 1 217 217 ILE C C 13 177.669 0.1 . 1 . . . . . . . . 6016 1 793 . 1 1 218 218 VAL N N 15 116.696 0.2 . 1 . . . . . . . . 6016 1 794 . 1 1 218 218 VAL H H 1 8.729 0.02 . 1 . . . . . . . . 6016 1 795 . 1 1 218 218 VAL CA C 13 59.791 0.1 . 1 . . . . . . . . 6016 1 796 . 1 1 218 218 VAL CB C 13 32.008 0.1 . 1 . . . . . . . . 6016 1 797 . 1 1 218 218 VAL C C 13 174.929 0.1 . 1 . . . . . . . . 6016 1 798 . 1 1 219 219 ARG N N 15 120.107 0.2 . 1 . . . . . . . . 6016 1 799 . 1 1 219 219 ARG H H 1 7.169 0.02 . 1 . . . . . . . . 6016 1 800 . 1 1 219 219 ARG CA C 13 56.007 0.1 . 1 . . . . . . . . 6016 1 801 . 1 1 219 219 ARG CB C 13 31.772 0.1 . 1 . . . . . . . . 6016 1 802 . 1 1 219 219 ARG C C 13 172.878 0.1 . 1 . . . . . . . . 6016 1 803 . 1 1 220 220 VAL N N 15 123.985 0.2 . 1 . . . . . . . . 6016 1 804 . 1 1 220 220 VAL H H 1 7.302 0.02 . 1 . . . . . . . . 6016 1 805 . 1 1 220 220 VAL CA C 13 61.240 0.1 . 1 . . . . . . . . 6016 1 806 . 1 1 220 220 VAL CB C 13 34.236 0.1 . 1 . . . . . . . . 6016 1 807 . 1 1 220 220 VAL C C 13 173.939 0.1 . 1 . . . . . . . . 6016 1 808 . 1 1 221 221 GLU N N 15 118.145 0.2 . 1 . . . . . . . . 6016 1 809 . 1 1 221 221 GLU H H 1 8.665 0.02 . 1 . . . . . . . . 6016 1 810 . 1 1 221 221 GLU CA C 13 53.159 0.1 . 1 . . . . . . . . 6016 1 811 . 1 1 221 221 GLU CB C 13 34.384 0.1 . 1 . . . . . . . . 6016 1 812 . 1 1 221 221 GLU C C 13 175.363 0.1 . 1 . . . . . . . . 6016 1 813 . 1 1 222 222 ILE N N 15 120.731 0.2 . 1 . . . . . . . . 6016 1 814 . 1 1 222 222 ILE H H 1 8.195 0.02 . 1 . . . . . . . . 6016 1 815 . 1 1 222 222 ILE CA C 13 59.260 0.1 . 1 . . . . . . . . 6016 1 816 . 1 1 222 222 ILE CB C 13 38.093 0.1 . 1 . . . . . . . . 6016 1 817 . 1 1 222 222 ILE C C 13 177.299 0.1 . 1 . . . . . . . . 6016 1 818 . 1 1 223 223 ASN N N 15 130.433 0.2 . 1 . . . . . . . . 6016 1 819 . 1 1 223 223 ASN H H 1 9.352 0.02 . 1 . . . . . . . . 6016 1 820 . 1 1 223 223 ASN CA C 13 53.276 0.1 . 1 . . . . . . . . 6016 1 821 . 1 1 223 223 ASN CB C 13 38.148 0.1 . 1 . . . . . . . . 6016 1 822 . 1 1 223 223 ASN C C 13 175.370 0.1 . 1 . . . . . . . . 6016 1 823 . 1 1 224 224 GLY N N 15 103.103 0.2 . 1 . . . . . . . . 6016 1 824 . 1 1 224 224 GLY H H 1 8.581 0.02 . 1 . . . . . . . . 6016 1 825 . 1 1 224 224 GLY CA C 13 45.255 0.1 . 1 . . . . . . . . 6016 1 826 . 1 1 224 224 GLY C C 13 172.975 0.1 . 1 . . . . . . . . 6016 1 827 . 1 1 225 225 GLN N N 15 119.750 0.2 . 1 . . . . . . . . 6016 1 828 . 1 1 225 225 GLN H H 1 7.550 0.02 . 1 . . . . . . . . 6016 1 829 . 1 1 225 225 GLN CA C 13 53.749 0.1 . 1 . . . . . . . . 6016 1 830 . 1 1 225 225 GLN CB C 13 28.540 0.1 . 1 . . . . . . . . 6016 1 831 . 1 1 226 226 ASP C C 13 177.070 0.1 . 1 . . . . . . . . 6016 1 832 . 1 1 227 227 LEU N N 15 128.757 0.2 . 1 . . . . . . . . 6016 1 833 . 1 1 227 227 LEU H H 1 8.448 0.02 . 1 . . . . . . . . 6016 1 834 . 1 1 227 227 LEU CA C 13 56.730 0.1 . 1 . . . . . . . . 6016 1 835 . 1 1 227 227 LEU CB C 13 41.303 0.1 . 1 . . . . . . . . 6016 1 836 . 1 1 227 227 LEU C C 13 178.132 0.1 . 1 . . . . . . . . 6016 1 837 . 1 1 228 228 LYS N N 15 113.845 0.2 . 1 . . . . . . . . 6016 1 838 . 1 1 228 228 LYS H H 1 9.134 0.02 . 1 . . . . . . . . 6016 1 839 . 1 1 228 228 LYS CA C 13 56.835 0.1 . 1 . . . . . . . . 6016 1 840 . 1 1 228 228 LYS CB C 13 28.752 0.1 . 1 . . . . . . . . 6016 1 841 . 1 1 228 228 LYS C C 13 175.553 0.1 . 1 . . . . . . . . 6016 1 842 . 1 1 229 229 MET N N 15 116.178 0.2 . 1 . . . . . . . . 6016 1 843 . 1 1 229 229 MET H H 1 6.776 0.02 . 1 . . . . . . . . 6016 1 844 . 1 1 229 229 MET CA C 13 54.104 0.1 . 1 . . . . . . . . 6016 1 845 . 1 1 229 229 MET CB C 13 32.885 0.1 . 1 . . . . . . . . 6016 1 846 . 1 1 229 229 MET C C 13 175.133 0.1 . 1 . . . . . . . . 6016 1 847 . 1 1 230 230 ASP N N 15 122.391 0.2 . 1 . . . . . . . . 6016 1 848 . 1 1 230 230 ASP H H 1 8.245 0.02 . 1 . . . . . . . . 6016 1 849 . 1 1 230 230 ASP CA C 13 54.210 0.1 . 1 . . . . . . . . 6016 1 850 . 1 1 230 230 ASP CB C 13 41.339 0.1 . 1 . . . . . . . . 6016 1 851 . 1 1 230 230 ASP C C 13 178.609 0.1 . 1 . . . . . . . . 6016 1 852 . 1 1 231 231 CYS N N 15 123.743 0.2 . 1 . . . . . . . . 6016 1 853 . 1 1 231 231 CYS H H 1 8.707 0.02 . 1 . . . . . . . . 6016 1 854 . 1 1 231 231 CYS CA C 13 58.951 0.1 . 1 . . . . . . . . 6016 1 855 . 1 1 231 231 CYS CB C 13 41.838 0.1 . 1 . . . . . . . . 6016 1 856 . 1 1 231 231 CYS C C 13 176.413 0.1 . 1 . . . . . . . . 6016 1 857 . 1 1 232 232 LYS N N 15 122.910 0.2 . 1 . . . . . . . . 6016 1 858 . 1 1 232 232 LYS H H 1 8.331 0.02 . 1 . . . . . . . . 6016 1 859 . 1 1 232 232 LYS CA C 13 58.782 0.1 . 1 . . . . . . . . 6016 1 860 . 1 1 232 232 LYS CB C 13 32.123 0.1 . 1 . . . . . . . . 6016 1 861 . 1 1 232 232 LYS C C 13 180.804 0.1 . 1 . . . . . . . . 6016 1 862 . 1 1 233 233 GLU N N 15 114.526 0.2 . 1 . . . . . . . . 6016 1 863 . 1 1 233 233 GLU H H 1 7.986 0.02 . 1 . . . . . . . . 6016 1 864 . 1 1 233 233 GLU CA C 13 57.140 0.1 . 1 . . . . . . . . 6016 1 865 . 1 1 233 233 GLU CB C 13 27.270 0.1 . 1 . . . . . . . . 6016 1 866 . 1 1 233 233 GLU C C 13 179.835 0.1 . 1 . . . . . . . . 6016 1 867 . 1 1 234 234 TYR N N 15 113.852 0.2 . 1 . . . . . . . . 6016 1 868 . 1 1 234 234 TYR H H 1 6.640 0.02 . 1 . . . . . . . . 6016 1 869 . 1 1 234 234 TYR CA C 13 57.104 0.1 . 1 . . . . . . . . 6016 1 870 . 1 1 234 234 TYR CB C 13 36.499 0.1 . 1 . . . . . . . . 6016 1 871 . 1 1 234 234 TYR C C 13 174.271 0.1 . 1 . . . . . . . . 6016 1 872 . 1 1 235 235 ASN N N 15 111.875 0.2 . 1 . . . . . . . . 6016 1 873 . 1 1 235 235 ASN H H 1 6.919 0.02 . 1 . . . . . . . . 6016 1 874 . 1 1 235 235 ASN CA C 13 50.253 0.1 . 1 . . . . . . . . 6016 1 875 . 1 1 235 235 ASN CB C 13 40.887 0.1 . 1 . . . . . . . . 6016 1 876 . 1 1 235 235 ASN C C 13 173.251 0.1 . 1 . . . . . . . . 6016 1 877 . 1 1 236 236 TYR N N 15 119.521 0.2 . 1 . . . . . . . . 6016 1 878 . 1 1 236 236 TYR H H 1 6.452 0.02 . 1 . . . . . . . . 6016 1 879 . 1 1 236 236 TYR CA C 13 50.367 0.1 . 1 . . . . . . . . 6016 1 880 . 1 1 236 236 TYR CB C 13 37.677 0.1 . 1 . . . . . . . . 6016 1 881 . 1 1 236 236 TYR C C 13 175.836 0.1 . 1 . . . . . . . . 6016 1 882 . 1 1 237 237 ASP N N 15 123.632 0.2 . 1 . . . . . . . . 6016 1 883 . 1 1 237 237 ASP H H 1 7.234 0.02 . 1 . . . . . . . . 6016 1 884 . 1 1 237 237 ASP CA C 13 56.539 0.1 . 1 . . . . . . . . 6016 1 885 . 1 1 237 237 ASP CB C 13 39.721 0.1 . 1 . . . . . . . . 6016 1 886 . 1 1 237 237 ASP C C 13 173.816 0.1 . 1 . . . . . . . . 6016 1 887 . 1 1 238 238 LYS N N 15 115.614 0.2 . 1 . . . . . . . . 6016 1 888 . 1 1 238 238 LYS H H 1 7.051 0.02 . 1 . . . . . . . . 6016 1 889 . 1 1 238 238 LYS CA C 13 55.137 0.1 . 1 . . . . . . . . 6016 1 890 . 1 1 238 238 LYS CB C 13 33.759 0.1 . 1 . . . . . . . . 6016 1 891 . 1 1 238 238 LYS C C 13 174.491 0.1 . 1 . . . . . . . . 6016 1 892 . 1 1 239 239 SER N N 15 118.128 0.2 . 1 . . . . . . . . 6016 1 893 . 1 1 239 239 SER H H 1 8.455 0.02 . 1 . . . . . . . . 6016 1 894 . 1 1 239 239 SER CA C 13 58.291 0.1 . 1 . . . . . . . . 6016 1 895 . 1 1 239 239 SER CB C 13 63.650 0.1 . 1 . . . . . . . . 6016 1 896 . 1 1 239 239 SER C C 13 174.484 0.1 . 1 . . . . . . . . 6016 1 897 . 1 1 240 240 ILE N N 15 113.951 0.2 . 1 . . . . . . . . 6016 1 898 . 1 1 240 240 ILE H H 1 8.011 0.02 . 1 . . . . . . . . 6016 1 899 . 1 1 240 240 ILE CA C 13 58.028 0.1 . 1 . . . . . . . . 6016 1 900 . 1 1 240 240 ILE CB C 13 41.949 0.1 . 1 . . . . . . . . 6016 1 901 . 1 1 240 240 ILE C C 13 174.491 0.1 . 1 . . . . . . . . 6016 1 902 . 1 1 241 241 VAL N N 15 110.427 0.2 . 1 . . . . . . . . 6016 1 903 . 1 1 241 241 VAL C C 13 177.077 0.1 . 1 . . . . . . . . 6016 1 904 . 1 1 242 242 ASP N N 15 131.041 0.2 . 1 . . . . . . . . 6016 1 905 . 1 1 242 242 ASP H H 1 8.285 0.02 . 1 . . . . . . . . 6016 1 906 . 1 1 242 242 ASP CA C 13 52.428 0.1 . 1 . . . . . . . . 6016 1 907 . 1 1 242 242 ASP CB C 13 43.367 0.1 . 1 . . . . . . . . 6016 1 908 . 1 1 243 243 SER C C 13 175.155 0.1 . 1 . . . . . . . . 6016 1 909 . 1 1 244 244 GLY N N 15 114.189 0.2 . 1 . . . . . . . . 6016 1 910 . 1 1 244 244 GLY H H 1 9.128 0.02 . 1 . . . . . . . . 6016 1 911 . 1 1 244 244 GLY CA C 13 45.080 0.1 . 1 . . . . . . . . 6016 1 912 . 1 1 244 244 GLY C C 13 173.911 0.1 . 1 . . . . . . . . 6016 1 913 . 1 1 245 245 THR N N 15 119.667 0.2 . 1 . . . . . . . . 6016 1 914 . 1 1 245 245 THR H H 1 7.114 0.02 . 1 . . . . . . . . 6016 1 915 . 1 1 245 245 THR CA C 13 61.278 0.1 . 1 . . . . . . . . 6016 1 916 . 1 1 245 245 THR CB C 13 70.489 0.1 . 1 . . . . . . . . 6016 1 917 . 1 1 246 246 THR C C 13 173.585 0.1 . 1 . . . . . . . . 6016 1 918 . 1 1 247 247 ASN N N 15 119.002 0.2 . 1 . . . . . . . . 6016 1 919 . 1 1 247 247 ASN H H 1 7.390 0.02 . 1 . . . . . . . . 6016 1 920 . 1 1 247 247 ASN CA C 13 53.335 0.1 . 1 . . . . . . . . 6016 1 921 . 1 1 247 247 ASN CB C 13 37.429 0.1 . 1 . . . . . . . . 6016 1 922 . 1 1 247 247 ASN C C 13 176.265 0.1 . 1 . . . . . . . . 6016 1 923 . 1 1 248 248 LEU N N 15 116.685 0.2 . 1 . . . . . . . . 6016 1 924 . 1 1 248 248 LEU H H 1 7.324 0.02 . 1 . . . . . . . . 6016 1 925 . 1 1 248 248 LEU CA C 13 53.670 0.1 . 1 . . . . . . . . 6016 1 926 . 1 1 248 248 LEU CB C 13 41.880 0.1 . 1 . . . . . . . . 6016 1 927 . 1 1 248 248 LEU C C 13 174.650 0.1 . 1 . . . . . . . . 6016 1 928 . 1 1 249 249 ARG N N 15 125.927 0.2 . 1 . . . . . . . . 6016 1 929 . 1 1 249 249 ARG H H 1 8.814 0.02 . 1 . . . . . . . . 6016 1 930 . 1 1 249 249 ARG CA C 13 52.940 0.1 . 1 . . . . . . . . 6016 1 931 . 1 1 249 249 ARG CB C 13 30.303 0.1 . 1 . . . . . . . . 6016 1 932 . 1 1 249 249 ARG C C 13 175.476 0.1 . 1 . . . . . . . . 6016 1 933 . 1 1 250 250 LEU N N 15 121.753 0.2 . 1 . . . . . . . . 6016 1 934 . 1 1 250 250 LEU H H 1 8.724 0.02 . 1 . . . . . . . . 6016 1 935 . 1 1 250 250 LEU CA C 13 50.620 0.1 . 1 . . . . . . . . 6016 1 936 . 1 1 250 250 LEU CB C 13 44.354 0.1 . 1 . . . . . . . . 6016 1 937 . 1 1 251 251 PRO C C 13 177.366 0.1 . 1 . . . . . . . . 6016 1 938 . 1 1 252 252 LYS N N 15 125.103 0.2 . 1 . . . . . . . . 6016 1 939 . 1 1 252 252 LYS H H 1 8.455 0.02 . 1 . . . . . . . . 6016 1 940 . 1 1 252 252 LYS CA C 13 62.000 0.1 . 1 . . . . . . . . 6016 1 941 . 1 1 252 252 LYS CB C 13 33.092 0.1 . 1 . . . . . . . . 6016 1 942 . 1 1 252 252 LYS C C 13 176.997 0.1 . 1 . . . . . . . . 6016 1 943 . 1 1 253 253 LYS N N 15 117.260 0.2 . 1 . . . . . . . . 6016 1 944 . 1 1 253 253 LYS H H 1 9.374 0.02 . 1 . . . . . . . . 6016 1 945 . 1 1 253 253 LYS CA C 13 59.868 0.1 . 1 . . . . . . . . 6016 1 946 . 1 1 253 253 LYS CB C 13 32.637 0.1 . 1 . . . . . . . . 6016 1 947 . 1 1 253 253 LYS C C 13 179.804 0.1 . 1 . . . . . . . . 6016 1 948 . 1 1 254 254 VAL N N 15 119.254 0.2 . 1 . . . . . . . . 6016 1 949 . 1 1 254 254 VAL H H 1 7.295 0.02 . 1 . . . . . . . . 6016 1 950 . 1 1 254 254 VAL CA C 13 64.193 0.1 . 1 . . . . . . . . 6016 1 951 . 1 1 254 254 VAL CB C 13 30.567 0.1 . 1 . . . . . . . . 6016 1 952 . 1 1 254 254 VAL C C 13 177.000 0.1 . 1 . . . . . . . . 6016 1 953 . 1 1 255 255 PHE N N 15 120.954 0.2 . 1 . . . . . . . . 6016 1 954 . 1 1 255 255 PHE H H 1 9.146 0.02 . 1 . . . . . . . . 6016 1 955 . 1 1 255 255 PHE CA C 13 62.061 0.1 . 1 . . . . . . . . 6016 1 956 . 1 1 255 255 PHE CB C 13 37.970 0.1 . 1 . . . . . . . . 6016 1 957 . 1 1 255 255 PHE C C 13 176.258 0.1 . 1 . . . . . . . . 6016 1 958 . 1 1 256 256 GLU N N 15 116.363 0.2 . 1 . . . . . . . . 6016 1 959 . 1 1 256 256 GLU H H 1 8.353 0.02 . 1 . . . . . . . . 6016 1 960 . 1 1 256 256 GLU CA C 13 59.136 0.1 . 1 . . . . . . . . 6016 1 961 . 1 1 256 256 GLU CB C 13 28.741 0.1 . 1 . . . . . . . . 6016 1 962 . 1 1 256 256 GLU C C 13 179.264 0.1 . 1 . . . . . . . . 6016 1 963 . 1 1 257 257 ALA N N 15 121.464 0.2 . 1 . . . . . . . . 6016 1 964 . 1 1 257 257 ALA H H 1 7.076 0.02 . 1 . . . . . . . . 6016 1 965 . 1 1 257 257 ALA CA C 13 54.667 0.1 . 1 . . . . . . . . 6016 1 966 . 1 1 257 257 ALA CB C 13 18.771 0.1 . 1 . . . . . . . . 6016 1 967 . 1 1 257 257 ALA C C 13 180.107 0.1 . 1 . . . . . . . . 6016 1 968 . 1 1 258 258 ALA N N 15 122.094 0.2 . 1 . . . . . . . . 6016 1 969 . 1 1 258 258 ALA H H 1 8.992 0.02 . 1 . . . . . . . . 6016 1 970 . 1 1 258 258 ALA CA C 13 54.741 0.1 . 1 . . . . . . . . 6016 1 971 . 1 1 258 258 ALA CB C 13 16.040 0.1 . 1 . . . . . . . . 6016 1 972 . 1 1 258 258 ALA C C 13 179.227 0.1 . 1 . . . . . . . . 6016 1 973 . 1 1 259 259 VAL N N 15 118.084 0.2 . 1 . . . . . . . . 6016 1 974 . 1 1 259 259 VAL H H 1 8.507 0.02 . 1 . . . . . . . . 6016 1 975 . 1 1 259 259 VAL CA C 13 66.580 0.1 . 1 . . . . . . . . 6016 1 976 . 1 1 259 259 VAL CB C 13 30.136 0.1 . 1 . . . . . . . . 6016 1 977 . 1 1 259 259 VAL C C 13 177.253 0.1 . 1 . . . . . . . . 6016 1 978 . 1 1 260 260 LYS N N 15 119.556 0.2 . 1 . . . . . . . . 6016 1 979 . 1 1 260 260 LYS H H 1 7.236 0.02 . 1 . . . . . . . . 6016 1 980 . 1 1 260 260 LYS CA C 13 59.988 0.1 . 1 . . . . . . . . 6016 1 981 . 1 1 260 260 LYS CB C 13 31.499 0.1 . 1 . . . . . . . . 6016 1 982 . 1 1 260 260 LYS C C 13 179.514 0.1 . 1 . . . . . . . . 6016 1 983 . 1 1 261 261 SER N N 15 114.353 0.2 . 1 . . . . . . . . 6016 1 984 . 1 1 261 261 SER H H 1 7.353 0.02 . 1 . . . . . . . . 6016 1 985 . 1 1 261 261 SER CA C 13 61.528 0.1 . 1 . . . . . . . . 6016 1 986 . 1 1 261 261 SER CB C 13 63.180 0.1 . 1 . . . . . . . . 6016 1 987 . 1 1 262 262 ILE C C 13 178.889 0.1 . 1 . . . . . . . . 6016 1 988 . 1 1 263 263 LYS N N 15 122.389 0.2 . 1 . . . . . . . . 6016 1 989 . 1 1 263 263 LYS H H 1 8.498 0.02 . 1 . . . . . . . . 6016 1 990 . 1 1 263 263 LYS CA C 13 59.197 0.1 . 1 . . . . . . . . 6016 1 991 . 1 1 263 263 LYS CB C 13 32.150 0.1 . 1 . . . . . . . . 6016 1 992 . 1 1 263 263 LYS C C 13 178.896 0.1 . 1 . . . . . . . . 6016 1 993 . 1 1 264 264 ALA N N 15 119.942 0.2 . 1 . . . . . . . . 6016 1 994 . 1 1 264 264 ALA H H 1 7.369 0.02 . 1 . . . . . . . . 6016 1 995 . 1 1 264 264 ALA CA C 13 54.562 0.1 . 1 . . . . . . . . 6016 1 996 . 1 1 264 264 ALA CB C 13 17.437 0.1 . 1 . . . . . . . . 6016 1 997 . 1 1 264 264 ALA C C 13 180.479 0.1 . 1 . . . . . . . . 6016 1 998 . 1 1 265 265 ALA N N 15 119.818 0.2 . 1 . . . . . . . . 6016 1 999 . 1 1 265 265 ALA H H 1 7.721 0.02 . 1 . . . . . . . . 6016 1 1000 . 1 1 265 265 ALA CA C 13 53.848 0.1 . 1 . . . . . . . . 6016 1 1001 . 1 1 265 265 ALA CB C 13 17.765 0.1 . 1 . . . . . . . . 6016 1 1002 . 1 1 265 265 ALA C C 13 177.979 0.1 . 1 . . . . . . . . 6016 1 1003 . 1 1 266 266 SER N N 15 110.916 0.2 . 1 . . . . . . . . 6016 1 1004 . 1 1 266 266 SER H H 1 7.570 0.02 . 1 . . . . . . . . 6016 1 1005 . 1 1 266 266 SER CA C 13 57.597 0.1 . 1 . . . . . . . . 6016 1 1006 . 1 1 266 266 SER CB C 13 64.298 0.1 . 1 . . . . . . . . 6016 1 1007 . 1 1 266 266 SER C C 13 175.423 0.1 . 1 . . . . . . . . 6016 1 1008 . 1 1 267 267 SER N N 15 114.611 0.2 . 1 . . . . . . . . 6016 1 1009 . 1 1 267 267 SER H H 1 7.104 0.02 . 1 . . . . . . . . 6016 1 1010 . 1 1 267 267 SER CA C 13 60.729 0.1 . 1 . . . . . . . . 6016 1 1011 . 1 1 267 267 SER CB C 13 63.283 0.1 . 1 . . . . . . . . 6016 1 1012 . 1 1 267 267 SER C C 13 175.159 0.1 . 1 . . . . . . . . 6016 1 1013 . 1 1 268 268 THR N N 15 114.365 0.2 . 1 . . . . . . . . 6016 1 1014 . 1 1 268 268 THR H H 1 7.626 0.02 . 1 . . . . . . . . 6016 1 1015 . 1 1 268 268 THR CA C 13 63.430 0.1 . 1 . . . . . . . . 6016 1 1016 . 1 1 268 268 THR CB C 13 68.277 0.1 . 1 . . . . . . . . 6016 1 1017 . 1 1 268 268 THR C C 13 174.878 0.1 . 1 . . . . . . . . 6016 1 1018 . 1 1 269 269 GLU N N 15 122.034 0.2 . 1 . . . . . . . . 6016 1 1019 . 1 1 269 269 GLU H H 1 8.131 0.02 . 1 . . . . . . . . 6016 1 1020 . 1 1 269 269 GLU CA C 13 55.058 0.1 . 1 . . . . . . . . 6016 1 1021 . 1 1 269 269 GLU CB C 13 31.506 0.1 . 1 . . . . . . . . 6016 1 1022 . 1 1 274 274 GLY C C 13 177.343 0.1 . 1 . . . . . . . . 6016 1 1023 . 1 1 275 275 PHE N N 15 124.042 0.2 . 1 . . . . . . . . 6016 1 1024 . 1 1 275 275 PHE H H 1 8.205 0.02 . 1 . . . . . . . . 6016 1 1025 . 1 1 275 275 PHE CA C 13 59.760 0.1 . 1 . . . . . . . . 6016 1 1026 . 1 1 275 275 PHE CB C 13 38.090 0.1 . 1 . . . . . . . . 6016 1 1027 . 1 1 275 275 PHE C C 13 178.276 0.1 . 1 . . . . . . . . 6016 1 1028 . 1 1 276 276 TRP N N 15 119.515 0.2 . 1 . . . . . . . . 6016 1 1029 . 1 1 276 276 TRP H H 1 6.788 0.02 . 1 . . . . . . . . 6016 1 1030 . 1 1 276 276 TRP CA C 13 56.535 0.1 . 1 . . . . . . . . 6016 1 1031 . 1 1 276 276 TRP CB C 13 28.033 0.1 . 1 . . . . . . . . 6016 1 1032 . 1 1 276 276 TRP C C 13 176.018 0.1 . 1 . . . . . . . . 6016 1 1033 . 1 1 277 277 LEU N N 15 114.815 0.2 . 1 . . . . . . . . 6016 1 1034 . 1 1 277 277 LEU H H 1 7.056 0.02 . 1 . . . . . . . . 6016 1 1035 . 1 1 277 277 LEU CA C 13 54.034 0.1 . 1 . . . . . . . . 6016 1 1036 . 1 1 277 277 LEU CB C 13 41.795 0.1 . 1 . . . . . . . . 6016 1 1037 . 1 1 277 277 LEU C C 13 177.671 0.1 . 1 . . . . . . . . 6016 1 1038 . 1 1 278 278 GLY N N 15 107.915 0.2 . 1 . . . . . . . . 6016 1 1039 . 1 1 278 278 GLY H H 1 7.912 0.02 . 1 . . . . . . . . 6016 1 1040 . 1 1 278 278 GLY CA C 13 46.235 0.1 . 1 . . . . . . . . 6016 1 1041 . 1 1 278 278 GLY C C 13 174.980 0.1 . 1 . . . . . . . . 6016 1 1042 . 1 1 279 279 GLU N N 15 116.141 0.2 . 1 . . . . . . . . 6016 1 1043 . 1 1 279 279 GLU H H 1 7.723 0.02 . 1 . . . . . . . . 6016 1 1044 . 1 1 279 279 GLU CA C 13 56.321 0.1 . 1 . . . . . . . . 6016 1 1045 . 1 1 279 279 GLU CB C 13 31.021 0.1 . 1 . . . . . . . . 6016 1 1046 . 1 1 279 279 GLU C C 13 175.861 0.1 . 1 . . . . . . . . 6016 1 1047 . 1 1 280 280 GLN N N 15 116.125 0.2 . 1 . . . . . . . . 6016 1 1048 . 1 1 280 280 GLN H H 1 6.884 0.02 . 1 . . . . . . . . 6016 1 1049 . 1 1 280 280 GLN CA C 13 53.639 0.1 . 1 . . . . . . . . 6016 1 1050 . 1 1 280 280 GLN CB C 13 32.157 0.1 . 1 . . . . . . . . 6016 1 1051 . 1 1 280 280 GLN C C 13 174.221 0.1 . 1 . . . . . . . . 6016 1 1052 . 1 1 281 281 LEU N N 15 122.981 0.2 . 1 . . . . . . . . 6016 1 1053 . 1 1 281 281 LEU H H 1 8.443 0.02 . 1 . . . . . . . . 6016 1 1054 . 1 1 281 281 LEU CA C 13 53.688 0.1 . 1 . . . . . . . . 6016 1 1055 . 1 1 281 281 LEU CB C 13 42.808 0.1 . 1 . . . . . . . . 6016 1 1056 . 1 1 281 281 LEU C C 13 177.007 0.1 . 1 . . . . . . . . 6016 1 1057 . 1 1 282 282 VAL N N 15 118.255 0.2 . 1 . . . . . . . . 6016 1 1058 . 1 1 282 282 VAL H H 1 8.284 0.02 . 1 . . . . . . . . 6016 1 1059 . 1 1 282 282 VAL CA C 13 60.370 0.1 . 1 . . . . . . . . 6016 1 1060 . 1 1 282 282 VAL CB C 13 33.364 0.1 . 1 . . . . . . . . 6016 1 1061 . 1 1 282 282 VAL C C 13 173.517 0.1 . 1 . . . . . . . . 6016 1 1062 . 1 1 283 283 CYS N N 15 122.061 0.2 . 1 . . . . . . . . 6016 1 1063 . 1 1 283 283 CYS H H 1 7.704 0.02 . 1 . . . . . . . . 6016 1 1064 . 1 1 283 283 CYS CA C 13 54.641 0.1 . 1 . . . . . . . . 6016 1 1065 . 1 1 283 283 CYS CB C 13 49.362 0.1 . 1 . . . . . . . . 6016 1 1066 . 1 1 283 283 CYS C C 13 173.117 0.1 . 1 . . . . . . . . 6016 1 1067 . 1 1 284 284 TRP N N 15 122.626 0.2 . 1 . . . . . . . . 6016 1 1068 . 1 1 284 284 TRP H H 1 9.067 0.02 . 1 . . . . . . . . 6016 1 1069 . 1 1 284 284 TRP CA C 13 58.661 0.1 . 1 . . . . . . . . 6016 1 1070 . 1 1 284 284 TRP CB C 13 32.229 0.1 . 1 . . . . . . . . 6016 1 1071 . 1 1 284 284 TRP C C 13 174.791 0.1 . 1 . . . . . . . . 6016 1 1072 . 1 1 285 285 GLN N N 15 121.167 0.2 . 1 . . . . . . . . 6016 1 1073 . 1 1 285 285 GLN H H 1 8.461 0.02 . 1 . . . . . . . . 6016 1 1074 . 1 1 285 285 GLN CA C 13 56.799 0.1 . 1 . . . . . . . . 6016 1 1075 . 1 1 285 285 GLN CB C 13 27.883 0.1 . 1 . . . . . . . . 6016 1 1076 . 1 1 285 285 GLN C C 13 177.388 0.1 . 1 . . . . . . . . 6016 1 1077 . 1 1 286 286 ALA N N 15 128.826 0.2 . 1 . . . . . . . . 6016 1 1078 . 1 1 286 286 ALA H H 1 8.929 0.02 . 1 . . . . . . . . 6016 1 1079 . 1 1 286 286 ALA CA C 13 53.910 0.1 . 1 . . . . . . . . 6016 1 1080 . 1 1 286 286 ALA CB C 13 17.665 0.1 . 1 . . . . . . . . 6016 1 1081 . 1 1 286 286 ALA C C 13 178.696 0.1 . 1 . . . . . . . . 6016 1 1082 . 1 1 287 287 GLY N N 15 110.879 0.2 . 1 . . . . . . . . 6016 1 1083 . 1 1 287 287 GLY H H 1 8.800 0.02 . 1 . . . . . . . . 6016 1 1084 . 1 1 287 287 GLY CA C 13 45.740 0.1 . 1 . . . . . . . . 6016 1 1085 . 1 1 287 287 GLY C C 13 176.621 0.1 . 1 . . . . . . . . 6016 1 1086 . 1 1 288 288 THR N N 15 109.912 0.2 . 1 . . . . . . . . 6016 1 1087 . 1 1 288 288 THR H H 1 8.254 0.02 . 1 . . . . . . . . 6016 1 1088 . 1 1 288 288 THR CA C 13 61.482 0.1 . 1 . . . . . . . . 6016 1 1089 . 1 1 288 288 THR CB C 13 69.694 0.1 . 1 . . . . . . . . 6016 1 1090 . 1 1 288 288 THR C C 13 174.211 0.1 . 1 . . . . . . . . 6016 1 1091 . 1 1 289 289 THR N N 15 121.300 0.2 . 1 . . . . . . . . 6016 1 1092 . 1 1 289 289 THR H H 1 7.479 0.02 . 1 . . . . . . . . 6016 1 1093 . 1 1 289 289 THR CA C 13 61.114 0.1 . 1 . . . . . . . . 6016 1 1094 . 1 1 289 289 THR CB C 13 69.110 0.1 . 1 . . . . . . . . 6016 1 1095 . 1 1 290 290 PRO C C 13 175.102 0.1 . 1 . . . . . . . . 6016 1 1096 . 1 1 291 291 TRP N N 15 122.454 0.2 . 1 . . . . . . . . 6016 1 1097 . 1 1 291 291 TRP H H 1 7.348 0.02 . 1 . . . . . . . . 6016 1 1098 . 1 1 291 291 TRP CA C 13 59.930 0.1 . 1 . . . . . . . . 6016 1 1099 . 1 1 291 291 TRP C C 13 177.671 0.1 . 1 . . . . . . . . 6016 1 1100 . 1 1 292 292 ASN N N 15 109.056 0.2 . 1 . . . . . . . . 6016 1 1101 . 1 1 292 292 ASN H H 1 8.141 0.02 . 1 . . . . . . . . 6016 1 1102 . 1 1 292 292 ASN CA C 13 55.145 0.1 . 1 . . . . . . . . 6016 1 1103 . 1 1 292 292 ASN CB C 13 37.289 0.1 . 1 . . . . . . . . 6016 1 1104 . 1 1 292 292 ASN C C 13 176.692 0.1 . 1 . . . . . . . . 6016 1 1105 . 1 1 293 293 ILE N N 15 115.193 0.2 . 1 . . . . . . . . 6016 1 1106 . 1 1 293 293 ILE H H 1 7.526 0.02 . 1 . . . . . . . . 6016 1 1107 . 1 1 293 293 ILE CA C 13 62.059 0.1 . 1 . . . . . . . . 6016 1 1108 . 1 1 293 293 ILE CB C 13 36.915 0.1 . 1 . . . . . . . . 6016 1 1109 . 1 1 293 293 ILE C C 13 175.728 0.1 . 1 . . . . . . . . 6016 1 1110 . 1 1 294 294 PHE N N 15 119.618 0.2 . 1 . . . . . . . . 6016 1 1111 . 1 1 294 294 PHE H H 1 7.542 0.02 . 1 . . . . . . . . 6016 1 1112 . 1 1 294 294 PHE CA C 13 55.741 0.1 . 1 . . . . . . . . 6016 1 1113 . 1 1 294 294 PHE CB C 13 38.540 0.1 . 1 . . . . . . . . 6016 1 1114 . 1 1 295 295 PRO C C 13 178.279 0.1 . 1 . . . . . . . . 6016 1 1115 . 1 1 296 296 VAL N N 15 112.516 0.2 . 1 . . . . . . . . 6016 1 1116 . 1 1 296 296 VAL H H 1 8.134 0.02 . 1 . . . . . . . . 6016 1 1117 . 1 1 296 296 VAL CA C 13 60.672 0.1 . 1 . . . . . . . . 6016 1 1118 . 1 1 296 296 VAL CB C 13 30.959 0.1 . 1 . . . . . . . . 6016 1 1119 . 1 1 296 296 VAL C C 13 176.091 0.1 . 1 . . . . . . . . 6016 1 1120 . 1 1 297 297 ILE N N 15 121.454 0.2 . 1 . . . . . . . . 6016 1 1121 . 1 1 297 297 ILE H H 1 8.256 0.02 . 1 . . . . . . . . 6016 1 1122 . 1 1 297 297 ILE CA C 13 60.287 0.1 . 1 . . . . . . . . 6016 1 1123 . 1 1 297 297 ILE CB C 13 39.794 0.1 . 1 . . . . . . . . 6016 1 1124 . 1 1 297 297 ILE C C 13 174.774 0.1 . 1 . . . . . . . . 6016 1 1125 . 1 1 298 298 SER N N 15 121.360 0.2 . 1 . . . . . . . . 6016 1 1126 . 1 1 298 298 SER H H 1 9.156 0.02 . 1 . . . . . . . . 6016 1 1127 . 1 1 298 298 SER CA C 13 56.585 0.1 . 1 . . . . . . . . 6016 1 1128 . 1 1 298 298 SER CB C 13 64.318 0.1 . 1 . . . . . . . . 6016 1 1129 . 1 1 298 298 SER C C 13 172.583 0.1 . 1 . . . . . . . . 6016 1 1130 . 1 1 299 299 LEU N N 15 123.922 0.2 . 1 . . . . . . . . 6016 1 1131 . 1 1 299 299 LEU H H 1 8.784 0.02 . 1 . . . . . . . . 6016 1 1132 . 1 1 299 299 LEU CA C 13 53.298 0.1 . 1 . . . . . . . . 6016 1 1133 . 1 1 299 299 LEU CB C 13 41.896 0.1 . 1 . . . . . . . . 6016 1 1134 . 1 1 299 299 LEU C C 13 174.592 0.1 . 1 . . . . . . . . 6016 1 1135 . 1 1 300 300 TYR N N 15 122.228 0.2 . 1 . . . . . . . . 6016 1 1136 . 1 1 300 300 TYR H H 1 8.694 0.02 . 1 . . . . . . . . 6016 1 1137 . 1 1 300 300 TYR CA C 13 55.089 0.1 . 1 . . . . . . . . 6016 1 1138 . 1 1 300 300 TYR CB C 13 38.428 0.1 . 1 . . . . . . . . 6016 1 1139 . 1 1 300 300 TYR C C 13 175.154 0.1 . 1 . . . . . . . . 6016 1 1140 . 1 1 301 301 LEU N N 15 125.176 0.2 . 1 . . . . . . . . 6016 1 1141 . 1 1 301 301 LEU H H 1 8.333 0.02 . 1 . . . . . . . . 6016 1 1142 . 1 1 301 301 LEU CA C 13 52.117 0.1 . 1 . . . . . . . . 6016 1 1143 . 1 1 301 301 LEU CB C 13 42.293 0.1 . 1 . . . . . . . . 6016 1 1144 . 1 1 301 301 LEU C C 13 175.191 0.1 . 1 . . . . . . . . 6016 1 1145 . 1 1 302 302 MET N N 15 118.018 0.2 . 1 . . . . . . . . 6016 1 1146 . 1 1 302 302 MET H H 1 7.278 0.02 . 1 . . . . . . . . 6016 1 1147 . 1 1 302 302 MET CA C 13 56.846 0.1 . 1 . . . . . . . . 6016 1 1148 . 1 1 302 302 MET CB C 13 33.712 0.1 . 1 . . . . . . . . 6016 1 1149 . 1 1 302 302 MET C C 13 176.193 0.1 . 1 . . . . . . . . 6016 1 1150 . 1 1 303 303 GLY N N 15 114.950 0.2 . 1 . . . . . . . . 6016 1 1151 . 1 1 303 303 GLY H H 1 8.523 0.02 . 1 . . . . . . . . 6016 1 1152 . 1 1 303 303 GLY CA C 13 44.115 0.1 . 1 . . . . . . . . 6016 1 1153 . 1 1 303 303 GLY C C 13 174.310 0.1 . 1 . . . . . . . . 6016 1 1154 . 1 1 304 304 GLU N N 15 116.010 0.2 . 1 . . . . . . . . 6016 1 1155 . 1 1 304 304 GLU H H 1 8.391 0.02 . 1 . . . . . . . . 6016 1 1156 . 1 1 304 304 GLU CA C 13 58.299 0.1 . 1 . . . . . . . . 6016 1 1157 . 1 1 304 304 GLU CB C 13 31.105 0.1 . 1 . . . . . . . . 6016 1 1158 . 1 1 304 304 GLU C C 13 176.965 0.1 . 1 . . . . . . . . 6016 1 1159 . 1 1 305 305 VAL N N 15 120.300 0.2 . 1 . . . . . . . . 6016 1 1160 . 1 1 305 305 VAL H H 1 7.937 0.02 . 1 . . . . . . . . 6016 1 1161 . 1 1 305 305 VAL CA C 13 60.746 0.1 . 1 . . . . . . . . 6016 1 1162 . 1 1 305 305 VAL CB C 13 32.494 0.1 . 1 . . . . . . . . 6016 1 1163 . 1 1 305 305 VAL C C 13 175.770 0.1 . 1 . . . . . . . . 6016 1 1164 . 1 1 306 306 THR N N 15 122.175 0.2 . 1 . . . . . . . . 6016 1 1165 . 1 1 306 306 THR H H 1 8.078 0.02 . 1 . . . . . . . . 6016 1 1166 . 1 1 306 306 THR CA C 13 64.123 0.1 . 1 . . . . . . . . 6016 1 1167 . 1 1 306 306 THR CB C 13 68.705 0.1 . 1 . . . . . . . . 6016 1 1168 . 1 1 306 306 THR C C 13 174.478 0.1 . 1 . . . . . . . . 6016 1 1169 . 1 1 307 307 ASN N N 15 118.424 0.2 . 1 . . . . . . . . 6016 1 1170 . 1 1 307 307 ASN H H 1 8.696 0.02 . 1 . . . . . . . . 6016 1 1171 . 1 1 307 307 ASN CA C 13 54.596 0.1 . 1 . . . . . . . . 6016 1 1172 . 1 1 307 307 ASN CB C 13 36.211 0.1 . 1 . . . . . . . . 6016 1 1173 . 1 1 307 307 ASN C C 13 174.216 0.1 . 1 . . . . . . . . 6016 1 1174 . 1 1 308 308 GLN N N 15 118.824 0.2 . 1 . . . . . . . . 6016 1 1175 . 1 1 308 308 GLN H H 1 7.915 0.02 . 1 . . . . . . . . 6016 1 1176 . 1 1 308 308 GLN CA C 13 54.964 0.1 . 1 . . . . . . . . 6016 1 1177 . 1 1 308 308 GLN CB C 13 30.902 0.1 . 1 . . . . . . . . 6016 1 1178 . 1 1 308 308 GLN C C 13 174.237 0.1 . 1 . . . . . . . . 6016 1 1179 . 1 1 309 309 SER N N 15 116.973 0.2 . 1 . . . . . . . . 6016 1 1180 . 1 1 309 309 SER H H 1 9.041 0.02 . 1 . . . . . . . . 6016 1 1181 . 1 1 309 309 SER CA C 13 56.551 0.1 . 1 . . . . . . . . 6016 1 1182 . 1 1 309 309 SER CB C 13 68.092 0.1 . 1 . . . . . . . . 6016 1 1183 . 1 1 309 309 SER C C 13 173.609 0.1 . 1 . . . . . . . . 6016 1 1184 . 1 1 310 310 PHE N N 15 115.294 0.2 . 1 . . . . . . . . 6016 1 1185 . 1 1 310 310 PHE H H 1 8.123 0.02 . 1 . . . . . . . . 6016 1 1186 . 1 1 310 310 PHE CA C 13 55.621 0.1 . 1 . . . . . . . . 6016 1 1187 . 1 1 310 310 PHE CB C 13 40.278 0.1 . 1 . . . . . . . . 6016 1 1188 . 1 1 310 310 PHE C C 13 171.345 0.1 . 1 . . . . . . . . 6016 1 1189 . 1 1 311 311 ARG N N 15 118.046 0.2 . 1 . . . . . . . . 6016 1 1190 . 1 1 311 311 ARG H H 1 9.299 0.02 . 1 . . . . . . . . 6016 1 1191 . 1 1 311 311 ARG CA C 13 52.628 0.1 . 1 . . . . . . . . 6016 1 1192 . 1 1 311 311 ARG CB C 13 32.308 0.1 . 1 . . . . . . . . 6016 1 1193 . 1 1 311 311 ARG C C 13 174.230 0.1 . 1 . . . . . . . . 6016 1 1194 . 1 1 312 312 ILE N N 15 118.509 0.2 . 1 . . . . . . . . 6016 1 1195 . 1 1 312 312 ILE H H 1 8.380 0.02 . 1 . . . . . . . . 6016 1 1196 . 1 1 312 312 ILE CA C 13 58.253 0.1 . 1 . . . . . . . . 6016 1 1197 . 1 1 312 312 ILE CB C 13 37.422 0.1 . 1 . . . . . . . . 6016 1 1198 . 1 1 312 312 ILE C C 13 174.825 0.1 . 1 . . . . . . . . 6016 1 1199 . 1 1 313 313 THR N N 15 121.600 0.2 . 1 . . . . . . . . 6016 1 1200 . 1 1 313 313 THR H H 1 8.991 0.02 . 1 . . . . . . . . 6016 1 1201 . 1 1 313 313 THR CA C 13 61.246 0.1 . 1 . . . . . . . . 6016 1 1202 . 1 1 313 313 THR CB C 13 70.911 0.1 . 1 . . . . . . . . 6016 1 1203 . 1 1 313 313 THR C C 13 173.833 0.1 . 1 . . . . . . . . 6016 1 1204 . 1 1 314 314 ILE N N 15 118.655 0.2 . 1 . . . . . . . . 6016 1 1205 . 1 1 314 314 ILE H H 1 9.012 0.02 . 1 . . . . . . . . 6016 1 1206 . 1 1 314 314 ILE CA C 13 59.173 0.1 . 1 . . . . . . . . 6016 1 1207 . 1 1 314 314 ILE CB C 13 40.229 0.1 . 1 . . . . . . . . 6016 1 1208 . 1 1 314 314 ILE C C 13 176.293 0.1 . 1 . . . . . . . . 6016 1 1209 . 1 1 315 315 LEU N N 15 127.948 0.2 . 1 . . . . . . . . 6016 1 1210 . 1 1 315 315 LEU H H 1 8.008 0.02 . 1 . . . . . . . . 6016 1 1211 . 1 1 315 315 LEU CA C 13 54.075 0.1 . 1 . . . . . . . . 6016 1 1212 . 1 1 315 315 LEU CB C 13 36.747 0.1 . 1 . . . . . . . . 6016 1 1213 . 1 1 317 317 GLN C C 13 177.540 0.1 . 1 . . . . . . . . 6016 1 1214 . 1 1 318 318 GLN N N 15 115.280 0.2 . 1 . . . . . . . . 6016 1 1215 . 1 1 318 318 GLN H H 1 7.698 0.02 . 1 . . . . . . . . 6016 1 1216 . 1 1 318 318 GLN CA C 13 59.080 0.1 . 1 . . . . . . . . 6016 1 1217 . 1 1 318 318 GLN CB C 13 29.133 0.1 . 1 . . . . . . . . 6016 1 1218 . 1 1 318 318 GLN C C 13 176.008 0.1 . 1 . . . . . . . . 6016 1 1219 . 1 1 319 319 TYR N N 15 111.309 0.2 . 1 . . . . . . . . 6016 1 1220 . 1 1 319 319 TYR H H 1 6.803 0.02 . 1 . . . . . . . . 6016 1 1221 . 1 1 319 319 TYR CA C 13 57.840 0.1 . 1 . . . . . . . . 6016 1 1222 . 1 1 319 319 TYR CB C 13 37.242 0.1 . 1 . . . . . . . . 6016 1 1223 . 1 1 319 319 TYR C C 13 172.571 0.1 . 1 . . . . . . . . 6016 1 1224 . 1 1 320 320 LEU N N 15 125.785 0.2 . 1 . . . . . . . . 6016 1 1225 . 1 1 320 320 LEU H H 1 8.123 0.02 . 1 . . . . . . . . 6016 1 1226 . 1 1 320 320 LEU CA C 13 53.738 0.1 . 1 . . . . . . . . 6016 1 1227 . 1 1 320 320 LEU CB C 13 39.971 0.1 . 1 . . . . . . . . 6016 1 1228 . 1 1 320 320 LEU C C 13 175.233 0.1 . 1 . . . . . . . . 6016 1 1229 . 1 1 321 321 ARG N N 15 123.421 0.2 . 1 . . . . . . . . 6016 1 1230 . 1 1 321 321 ARG H H 1 8.977 0.02 . 1 . . . . . . . . 6016 1 1231 . 1 1 321 321 ARG CA C 13 52.213 0.1 . 1 . . . . . . . . 6016 1 1232 . 1 1 321 321 ARG CB C 13 30.836 0.1 . 1 . . . . . . . . 6016 1 1233 . 1 1 322 322 PRO C C 13 177.070 0.1 . 1 . . . . . . . . 6016 1 1234 . 1 1 323 323 VAL N N 15 121.311 0.2 . 1 . . . . . . . . 6016 1 1235 . 1 1 323 323 VAL H H 1 7.861 0.02 . 1 . . . . . . . . 6016 1 1236 . 1 1 323 323 VAL CA C 13 60.576 0.1 . 1 . . . . . . . . 6016 1 1237 . 1 1 323 323 VAL CB C 13 33.739 0.1 . 1 . . . . . . . . 6016 1 1238 . 1 1 323 323 VAL C C 13 175.203 0.1 . 1 . . . . . . . . 6016 1 1239 . 1 1 324 324 GLU N N 15 125.045 0.2 . 1 . . . . . . . . 6016 1 1240 . 1 1 324 324 GLU H H 1 8.448 0.02 . 1 . . . . . . . . 6016 1 1241 . 1 1 324 324 GLU CA C 13 56.124 0.1 . 1 . . . . . . . . 6016 1 1242 . 1 1 324 324 GLU CB C 13 29.400 0.1 . 1 . . . . . . . . 6016 1 1243 . 1 1 324 324 GLU C C 13 175.807 0.1 . 1 . . . . . . . . 6016 1 1244 . 1 1 325 325 ASP N N 15 122.307 0.2 . 1 . . . . . . . . 6016 1 1245 . 1 1 325 325 ASP H H 1 8.335 0.02 . 1 . . . . . . . . 6016 1 1246 . 1 1 325 325 ASP CA C 13 53.611 0.1 . 1 . . . . . . . . 6016 1 1247 . 1 1 325 325 ASP CB C 13 41.345 0.1 . 1 . . . . . . . . 6016 1 1248 . 1 1 325 325 ASP C C 13 176.310 0.1 . 1 . . . . . . . . 6016 1 1249 . 1 1 326 326 VAL N N 15 119.563 0.2 . 1 . . . . . . . . 6016 1 1250 . 1 1 326 326 VAL H H 1 7.964 0.02 . 1 . . . . . . . . 6016 1 1251 . 1 1 326 326 VAL CA C 13 62.192 0.1 . 1 . . . . . . . . 6016 1 1252 . 1 1 326 326 VAL CB C 13 31.722 0.1 . 1 . . . . . . . . 6016 1 1253 . 1 1 326 326 VAL C C 13 176.564 0.1 . 1 . . . . . . . . 6016 1 1254 . 1 1 327 327 ALA N N 15 124.828 0.2 . 1 . . . . . . . . 6016 1 1255 . 1 1 327 327 ALA H H 1 8.217 0.02 . 1 . . . . . . . . 6016 1 1256 . 1 1 327 327 ALA CA C 13 52.964 0.1 . 1 . . . . . . . . 6016 1 1257 . 1 1 327 327 ALA CB C 13 19.000 0.1 . 1 . . . . . . . . 6016 1 1258 . 1 1 327 327 ALA C C 13 178.237 0.1 . 1 . . . . . . . . 6016 1 1259 . 1 1 328 328 THR N N 15 110.774 0.2 . 1 . . . . . . . . 6016 1 1260 . 1 1 328 328 THR H H 1 7.757 0.02 . 1 . . . . . . . . 6016 1 1261 . 1 1 328 328 THR CA C 13 60.995 0.1 . 1 . . . . . . . . 6016 1 1262 . 1 1 328 328 THR CB C 13 68.912 0.1 . 1 . . . . . . . . 6016 1 1263 . 1 1 328 328 THR C C 13 177.626 0.1 . 1 . . . . . . . . 6016 1 1264 . 1 1 329 329 SER N N 15 117.534 0.2 . 1 . . . . . . . . 6016 1 1265 . 1 1 329 329 SER H H 1 8.011 0.02 . 1 . . . . . . . . 6016 1 1266 . 1 1 329 329 SER CA C 13 58.752 0.1 . 1 . . . . . . . . 6016 1 1267 . 1 1 329 329 SER CB C 13 62.953 0.1 . 1 . . . . . . . . 6016 1 1268 . 1 1 330 330 GLN C C 13 175.358 0.1 . 1 . . . . . . . . 6016 1 1269 . 1 1 331 331 ASP N N 15 120.636 0.2 . 1 . . . . . . . . 6016 1 1270 . 1 1 331 331 ASP H H 1 7.889 0.02 . 1 . . . . . . . . 6016 1 1271 . 1 1 331 331 ASP CA C 13 53.783 0.1 . 1 . . . . . . . . 6016 1 1272 . 1 1 331 331 ASP CB C 13 42.908 0.1 . 1 . . . . . . . . 6016 1 1273 . 1 1 331 331 ASP C C 13 174.803 0.1 . 1 . . . . . . . . 6016 1 1274 . 1 1 332 332 ASP N N 15 121.500 0.2 . 1 . . . . . . . . 6016 1 1275 . 1 1 332 332 ASP H H 1 8.842 0.02 . 1 . . . . . . . . 6016 1 1276 . 1 1 332 332 ASP CA C 13 53.848 0.1 . 1 . . . . . . . . 6016 1 1277 . 1 1 332 332 ASP CB C 13 42.008 0.1 . 1 . . . . . . . . 6016 1 1278 . 1 1 332 332 ASP C C 13 174.467 0.1 . 1 . . . . . . . . 6016 1 1279 . 1 1 333 333 CYS N N 15 121.105 0.2 . 1 . . . . . . . . 6016 1 1280 . 1 1 333 333 CYS H H 1 8.205 0.02 . 1 . . . . . . . . 6016 1 1281 . 1 1 333 333 CYS CA C 13 54.547 0.1 . 1 . . . . . . . . 6016 1 1282 . 1 1 333 333 CYS CB C 13 47.891 0.1 . 1 . . . . . . . . 6016 1 1283 . 1 1 333 333 CYS C C 13 173.944 0.1 . 1 . . . . . . . . 6016 1 1284 . 1 1 334 334 TYR N N 15 118.020 0.2 . 1 . . . . . . . . 6016 1 1285 . 1 1 334 334 TYR H H 1 9.065 0.02 . 1 . . . . . . . . 6016 1 1286 . 1 1 334 334 TYR CA C 13 57.078 0.1 . 1 . . . . . . . . 6016 1 1287 . 1 1 334 334 TYR CB C 13 43.715 0.1 . 1 . . . . . . . . 6016 1 1288 . 1 1 334 334 TYR C C 13 174.504 0.1 . 1 . . . . . . . . 6016 1 1289 . 1 1 335 335 LYS N N 15 118.675 0.2 . 1 . . . . . . . . 6016 1 1290 . 1 1 335 335 LYS H H 1 8.954 0.02 . 1 . . . . . . . . 6016 1 1291 . 1 1 335 335 LYS CA C 13 53.764 0.1 . 1 . . . . . . . . 6016 1 1292 . 1 1 335 335 LYS CB C 13 35.894 0.1 . 1 . . . . . . . . 6016 1 1293 . 1 1 335 335 LYS C C 13 175.207 0.1 . 1 . . . . . . . . 6016 1 1294 . 1 1 336 336 PHE N N 15 126.401 0.2 . 1 . . . . . . . . 6016 1 1295 . 1 1 336 336 PHE H H 1 8.877 0.02 . 1 . . . . . . . . 6016 1 1296 . 1 1 336 336 PHE CA C 13 57.389 0.1 . 1 . . . . . . . . 6016 1 1297 . 1 1 336 336 PHE CB C 13 39.121 0.1 . 1 . . . . . . . . 6016 1 1298 . 1 1 336 336 PHE C C 13 175.783 0.1 . 1 . . . . . . . . 6016 1 1299 . 1 1 337 337 ALA N N 15 132.629 0.2 . 1 . . . . . . . . 6016 1 1300 . 1 1 337 337 ALA H H 1 8.715 0.02 . 1 . . . . . . . . 6016 1 1301 . 1 1 337 337 ALA CA C 13 51.621 0.1 . 1 . . . . . . . . 6016 1 1302 . 1 1 337 337 ALA CB C 13 19.129 0.1 . 1 . . . . . . . . 6016 1 1303 . 1 1 337 337 ALA C C 13 174.086 0.1 . 1 . . . . . . . . 6016 1 1304 . 1 1 338 338 ILE N N 15 116.119 0.2 . 1 . . . . . . . . 6016 1 1305 . 1 1 338 338 ILE H H 1 5.503 0.02 . 1 . . . . . . . . 6016 1 1306 . 1 1 338 338 ILE CA C 13 58.850 0.1 . 1 . . . . . . . . 6016 1 1307 . 1 1 338 338 ILE CB C 13 37.426 0.1 . 1 . . . . . . . . 6016 1 1308 . 1 1 338 338 ILE C C 13 175.151 0.1 . 1 . . . . . . . . 6016 1 1309 . 1 1 339 339 SER N N 15 119.205 0.2 . 1 . . . . . . . . 6016 1 1310 . 1 1 339 339 SER H H 1 8.774 0.02 . 1 . . . . . . . . 6016 1 1311 . 1 1 339 339 SER CA C 13 56.847 0.1 . 1 . . . . . . . . 6016 1 1312 . 1 1 339 339 SER CB C 13 65.454 0.1 . 1 . . . . . . . . 6016 1 1313 . 1 1 339 339 SER C C 13 172.293 0.1 . 1 . . . . . . . . 6016 1 1314 . 1 1 340 340 GLN N N 15 119.850 0.2 . 1 . . . . . . . . 6016 1 1315 . 1 1 340 340 GLN H H 1 7.756 0.02 . 1 . . . . . . . . 6016 1 1316 . 1 1 340 340 GLN CA C 13 55.229 0.1 . 1 . . . . . . . . 6016 1 1317 . 1 1 340 340 GLN CB C 13 29.802 0.1 . 1 . . . . . . . . 6016 1 1318 . 1 1 340 340 GLN C C 13 175.231 0.1 . 1 . . . . . . . . 6016 1 1319 . 1 1 341 341 SER N N 15 118.850 0.2 . 1 . . . . . . . . 6016 1 1320 . 1 1 341 341 SER H H 1 8.154 0.02 . 1 . . . . . . . . 6016 1 1321 . 1 1 341 341 SER CA C 13 55.146 0.1 . 1 . . . . . . . . 6016 1 1322 . 1 1 341 341 SER CB C 13 65.615 0.1 . 1 . . . . . . . . 6016 1 1323 . 1 1 342 342 SER C C 13 175.126 0.1 . 1 . . . . . . . . 6016 1 1324 . 1 1 343 343 THR N N 15 114.987 0.2 . 1 . . . . . . . . 6016 1 1325 . 1 1 343 343 THR H H 1 8.460 0.02 . 1 . . . . . . . . 6016 1 1326 . 1 1 343 343 THR CA C 13 59.849 0.1 . 1 . . . . . . . . 6016 1 1327 . 1 1 343 343 THR CB C 13 68.171 0.1 . 1 . . . . . . . . 6016 1 1328 . 1 1 343 343 THR C C 13 174.547 0.1 . 1 . . . . . . . . 6016 1 1329 . 1 1 344 344 GLY N N 15 110.994 0.2 . 1 . . . . . . . . 6016 1 1330 . 1 1 344 344 GLY H H 1 8.076 0.02 . 1 . . . . . . . . 6016 1 1331 . 1 1 344 344 GLY CA C 13 43.294 0.1 . 1 . . . . . . . . 6016 1 1332 . 1 1 344 344 GLY C C 13 174.549 0.1 . 1 . . . . . . . . 6016 1 1333 . 1 1 345 345 THR N N 15 119.171 0.2 . 1 . . . . . . . . 6016 1 1334 . 1 1 345 345 THR H H 1 8.602 0.02 . 1 . . . . . . . . 6016 1 1335 . 1 1 345 345 THR CA C 13 63.080 0.1 . 1 . . . . . . . . 6016 1 1336 . 1 1 345 345 THR CB C 13 67.071 0.1 . 1 . . . . . . . . 6016 1 1337 . 1 1 345 345 THR C C 13 176.519 0.1 . 1 . . . . . . . . 6016 1 1338 . 1 1 346 346 VAL N N 15 128.963 0.2 . 1 . . . . . . . . 6016 1 1339 . 1 1 346 346 VAL H H 1 9.435 0.02 . 1 . . . . . . . . 6016 1 1340 . 1 1 346 346 VAL CA C 13 61.415 0.1 . 1 . . . . . . . . 6016 1 1341 . 1 1 346 346 VAL CB C 13 33.197 0.1 . 1 . . . . . . . . 6016 1 1342 . 1 1 346 346 VAL C C 13 175.577 0.1 . 1 . . . . . . . . 6016 1 1343 . 1 1 347 347 MET N N 15 126.988 0.2 . 1 . . . . . . . . 6016 1 1344 . 1 1 347 347 MET H H 1 9.106 0.02 . 1 . . . . . . . . 6016 1 1345 . 1 1 347 347 MET CA C 13 55.066 0.1 . 1 . . . . . . . . 6016 1 1346 . 1 1 347 347 MET CB C 13 32.578 0.1 . 1 . . . . . . . . 6016 1 1347 . 1 1 347 347 MET C C 13 174.371 0.1 . 1 . . . . . . . . 6016 1 1348 . 1 1 348 348 GLY N N 15 110.264 0.2 . 1 . . . . . . . . 6016 1 1349 . 1 1 348 348 GLY H H 1 6.582 0.02 . 1 . . . . . . . . 6016 1 1350 . 1 1 348 348 GLY CA C 13 43.549 0.1 . 1 . . . . . . . . 6016 1 1351 . 1 1 348 348 GLY C C 13 175.777 0.1 . 1 . . . . . . . . 6016 1 1352 . 1 1 349 349 ALA N N 15 125.910 0.2 . 1 . . . . . . . . 6016 1 1353 . 1 1 349 349 ALA H H 1 9.388 0.02 . 1 . . . . . . . . 6016 1 1354 . 1 1 349 349 ALA CA C 13 56.268 0.1 . 1 . . . . . . . . 6016 1 1355 . 1 1 349 349 ALA CB C 13 17.455 0.1 . 1 . . . . . . . . 6016 1 1356 . 1 1 353 353 GLU C C 13 177.902 0.1 . 1 . . . . . . . . 6016 1 1357 . 1 1 354 354 GLY N N 15 104.801 0.2 . 1 . . . . . . . . 6016 1 1358 . 1 1 354 354 GLY H H 1 7.789 0.02 . 1 . . . . . . . . 6016 1 1359 . 1 1 354 354 GLY CA C 13 44.111 0.1 . 1 . . . . . . . . 6016 1 1360 . 1 1 354 354 GLY C C 13 172.621 0.1 . 1 . . . . . . . . 6016 1 1361 . 1 1 355 355 PHE N N 15 113.573 0.2 . 1 . . . . . . . . 6016 1 1362 . 1 1 355 355 PHE H H 1 7.462 0.02 . 1 . . . . . . . . 6016 1 1363 . 1 1 355 355 PHE CA C 13 57.558 0.1 . 1 . . . . . . . . 6016 1 1364 . 1 1 355 355 PHE CB C 13 42.736 0.1 . 1 . . . . . . . . 6016 1 1365 . 1 1 355 355 PHE C C 13 174.762 0.1 . 1 . . . . . . . . 6016 1 1366 . 1 1 356 356 TYR N N 15 125.453 0.2 . 1 . . . . . . . . 6016 1 1367 . 1 1 356 356 TYR H H 1 9.454 0.02 . 1 . . . . . . . . 6016 1 1368 . 1 1 356 356 TYR CA C 13 55.087 0.1 . 1 . . . . . . . . 6016 1 1369 . 1 1 356 356 TYR CB C 13 42.503 0.1 . 1 . . . . . . . . 6016 1 1370 . 1 1 356 356 TYR C C 13 173.870 0.1 . 1 . . . . . . . . 6016 1 1371 . 1 1 357 357 VAL N N 15 126.090 0.2 . 1 . . . . . . . . 6016 1 1372 . 1 1 357 357 VAL H H 1 7.832 0.02 . 1 . . . . . . . . 6016 1 1373 . 1 1 357 357 VAL CA C 13 59.565 0.1 . 1 . . . . . . . . 6016 1 1374 . 1 1 357 357 VAL CB C 13 32.319 0.1 . 1 . . . . . . . . 6016 1 1375 . 1 1 357 357 VAL C C 13 174.718 0.1 . 1 . . . . . . . . 6016 1 1376 . 1 1 358 358 VAL N N 15 127.160 0.2 . 1 . . . . . . . . 6016 1 1377 . 1 1 358 358 VAL H H 1 8.788 0.02 . 1 . . . . . . . . 6016 1 1378 . 1 1 358 358 VAL CA C 13 60.382 0.1 . 1 . . . . . . . . 6016 1 1379 . 1 1 358 358 VAL CB C 13 33.193 0.1 . 1 . . . . . . . . 6016 1 1380 . 1 1 358 358 VAL C C 13 173.892 0.1 . 1 . . . . . . . . 6016 1 1381 . 1 1 359 359 PHE N N 15 129.006 0.2 . 1 . . . . . . . . 6016 1 1382 . 1 1 359 359 PHE H H 1 8.927 0.02 . 1 . . . . . . . . 6016 1 1383 . 1 1 359 359 PHE CA C 13 56.160 0.1 . 1 . . . . . . . . 6016 1 1384 . 1 1 359 359 PHE CB C 13 35.798 0.1 . 1 . . . . . . . . 6016 1 1385 . 1 1 359 359 PHE C C 13 173.656 0.1 . 1 . . . . . . . . 6016 1 1386 . 1 1 360 360 ASP N N 15 124.712 0.2 . 1 . . . . . . . . 6016 1 1387 . 1 1 360 360 ASP H H 1 7.973 0.02 . 1 . . . . . . . . 6016 1 1388 . 1 1 360 360 ASP CA C 13 51.531 0.1 . 1 . . . . . . . . 6016 1 1389 . 1 1 360 360 ASP CB C 13 39.639 0.1 . 1 . . . . . . . . 6016 1 1390 . 1 1 360 360 ASP C C 13 176.162 0.1 . 1 . . . . . . . . 6016 1 1391 . 1 1 361 361 ARG N N 15 124.384 0.2 . 1 . . . . . . . . 6016 1 1392 . 1 1 361 361 ARG H H 1 7.267 0.02 . 1 . . . . . . . . 6016 1 1393 . 1 1 361 361 ARG CA C 13 58.502 0.1 . 1 . . . . . . . . 6016 1 1394 . 1 1 361 361 ARG CB C 13 29.192 0.1 . 1 . . . . . . . . 6016 1 1395 . 1 1 361 361 ARG C C 13 180.345 0.1 . 1 . . . . . . . . 6016 1 1396 . 1 1 362 362 ALA N N 15 123.476 0.2 . 1 . . . . . . . . 6016 1 1397 . 1 1 362 362 ALA H H 1 8.202 0.02 . 1 . . . . . . . . 6016 1 1398 . 1 1 362 362 ALA CA C 13 54.628 0.1 . 1 . . . . . . . . 6016 1 1399 . 1 1 362 362 ALA CB C 13 19.030 0.1 . 1 . . . . . . . . 6016 1 1400 . 1 1 362 362 ALA C C 13 179.023 0.1 . 1 . . . . . . . . 6016 1 1401 . 1 1 363 363 ARG N N 15 114.921 0.2 . 1 . . . . . . . . 6016 1 1402 . 1 1 363 363 ARG H H 1 7.193 0.02 . 1 . . . . . . . . 6016 1 1403 . 1 1 363 363 ARG CA C 13 54.534 0.1 . 1 . . . . . . . . 6016 1 1404 . 1 1 363 363 ARG CB C 13 28.733 0.1 . 1 . . . . . . . . 6016 1 1405 . 1 1 363 363 ARG C C 13 174.575 0.1 . 1 . . . . . . . . 6016 1 1406 . 1 1 364 364 LYS N N 15 120.729 0.2 . 1 . . . . . . . . 6016 1 1407 . 1 1 364 364 LYS H H 1 7.719 0.02 . 1 . . . . . . . . 6016 1 1408 . 1 1 364 364 LYS CA C 13 62.422 0.1 . 1 . . . . . . . . 6016 1 1409 . 1 1 364 364 LYS C C 13 175.373 0.1 . 1 . . . . . . . . 6016 1 1410 . 1 1 365 365 ARG N N 15 116.999 0.2 . 1 . . . . . . . . 6016 1 1411 . 1 1 365 365 ARG H H 1 8.527 0.02 . 1 . . . . . . . . 6016 1 1412 . 1 1 365 365 ARG CA C 13 55.086 0.1 . 1 . . . . . . . . 6016 1 1413 . 1 1 365 365 ARG CB C 13 31.941 0.1 . 1 . . . . . . . . 6016 1 1414 . 1 1 365 365 ARG C C 13 172.609 0.1 . 1 . . . . . . . . 6016 1 1415 . 1 1 366 366 ILE N N 15 120.563 0.2 . 1 . . . . . . . . 6016 1 1416 . 1 1 366 366 ILE H H 1 9.354 0.02 . 1 . . . . . . . . 6016 1 1417 . 1 1 366 366 ILE CA C 13 57.944 0.1 . 1 . . . . . . . . 6016 1 1418 . 1 1 366 366 ILE CB C 13 39.308 0.1 . 1 . . . . . . . . 6016 1 1419 . 1 1 366 366 ILE C C 13 175.504 0.1 . 1 . . . . . . . . 6016 1 1420 . 1 1 367 367 GLY N N 15 115.725 0.2 . 1 . . . . . . . . 6016 1 1421 . 1 1 367 367 GLY H H 1 9.533 0.02 . 1 . . . . . . . . 6016 1 1422 . 1 1 367 367 GLY CA C 13 43.754 0.1 . 1 . . . . . . . . 6016 1 1423 . 1 1 367 367 GLY C C 13 171.118 0.1 . 1 . . . . . . . . 6016 1 1424 . 1 1 368 368 PHE N N 15 119.231 0.2 . 1 . . . . . . . . 6016 1 1425 . 1 1 368 368 PHE H H 1 8.847 0.02 . 1 . . . . . . . . 6016 1 1426 . 1 1 368 368 PHE CA C 13 56.952 0.1 . 1 . . . . . . . . 6016 1 1427 . 1 1 368 368 PHE C C 13 174.493 0.1 . 1 . . . . . . . . 6016 1 1428 . 1 1 369 369 ALA N N 15 120.159 0.2 . 1 . . . . . . . . 6016 1 1429 . 1 1 369 369 ALA H H 1 8.255 0.02 . 1 . . . . . . . . 6016 1 1430 . 1 1 369 369 ALA CA C 13 50.815 0.1 . 1 . . . . . . . . 6016 1 1431 . 1 1 369 369 ALA CB C 13 25.050 0.1 . 1 . . . . . . . . 6016 1 1432 . 1 1 369 369 ALA C C 13 176.713 0.1 . 1 . . . . . . . . 6016 1 1433 . 1 1 370 370 VAL N N 15 124.004 0.2 . 1 . . . . . . . . 6016 1 1434 . 1 1 370 370 VAL H H 1 9.117 0.02 . 1 . . . . . . . . 6016 1 1435 . 1 1 370 370 VAL CA C 13 65.374 0.1 . 1 . . . . . . . . 6016 1 1436 . 1 1 370 370 VAL CB C 13 30.631 0.1 . 1 . . . . . . . . 6016 1 1437 . 1 1 370 370 VAL C C 13 175.495 0.1 . 1 . . . . . . . . 6016 1 1438 . 1 1 371 371 SER N N 15 119.178 0.2 . 1 . . . . . . . . 6016 1 1439 . 1 1 371 371 SER H H 1 7.932 0.02 . 1 . . . . . . . . 6016 1 1440 . 1 1 371 371 SER CA C 13 57.317 0.1 . 1 . . . . . . . . 6016 1 1441 . 1 1 371 371 SER CB C 13 62.605 0.1 . 1 . . . . . . . . 6016 1 1442 . 1 1 372 372 ALA N N 15 130.484 0.2 . 1 . . . . . . . . 6016 1 1443 . 1 1 373 373 CYS N N 15 111.686 0.2 . 1 . . . . . . . . 6016 1 1444 . 1 1 378 378 GLU C C 13 176.051 0.1 . 1 . . . . . . . . 6016 1 1445 . 1 1 379 379 PHE N N 15 117.969 0.2 . 1 . . . . . . . . 6016 1 1446 . 1 1 379 379 PHE H H 1 8.843 0.02 . 1 . . . . . . . . 6016 1 1447 . 1 1 379 379 PHE CA C 13 58.258 0.1 . 1 . . . . . . . . 6016 1 1448 . 1 1 379 379 PHE CB C 13 40.183 0.1 . 1 . . . . . . . . 6016 1 1449 . 1 1 379 379 PHE C C 13 176.102 0.1 . 1 . . . . . . . . 6016 1 1450 . 1 1 380 380 ARG N N 15 119.541 0.2 . 1 . . . . . . . . 6016 1 1451 . 1 1 380 380 ARG H H 1 8.489 0.02 . 1 . . . . . . . . 6016 1 1452 . 1 1 380 380 ARG CA C 13 55.481 0.1 . 1 . . . . . . . . 6016 1 1453 . 1 1 380 380 ARG CB C 13 33.918 0.1 . 1 . . . . . . . . 6016 1 1454 . 1 1 380 380 ARG C C 13 173.411 0.1 . 1 . . . . . . . . 6016 1 1455 . 1 1 381 381 THR N N 15 109.291 0.2 . 1 . . . . . . . . 6016 1 1456 . 1 1 381 381 THR H H 1 7.559 0.02 . 1 . . . . . . . . 6016 1 1457 . 1 1 381 381 THR CA C 13 59.715 0.1 . 1 . . . . . . . . 6016 1 1458 . 1 1 381 381 THR CB C 13 71.524 0.1 . 1 . . . . . . . . 6016 1 1459 . 1 1 381 381 THR C C 13 173.917 0.1 . 1 . . . . . . . . 6016 1 1460 . 1 1 382 382 ALA N N 15 127.565 0.2 . 1 . . . . . . . . 6016 1 1461 . 1 1 382 382 ALA H H 1 9.436 0.02 . 1 . . . . . . . . 6016 1 1462 . 1 1 382 382 ALA CA C 13 52.940 0.1 . 1 . . . . . . . . 6016 1 1463 . 1 1 382 382 ALA C C 13 176.667 0.1 . 1 . . . . . . . . 6016 1 1464 . 1 1 383 383 ALA N N 15 118.743 0.2 . 1 . . . . . . . . 6016 1 1465 . 1 1 383 383 ALA H H 1 7.891 0.02 . 1 . . . . . . . . 6016 1 1466 . 1 1 383 383 ALA CA C 13 51.940 0.1 . 1 . . . . . . . . 6016 1 1467 . 1 1 383 383 ALA CB C 13 23.127 0.1 . 1 . . . . . . . . 6016 1 1468 . 1 1 383 383 ALA C C 13 175.455 0.1 . 1 . . . . . . . . 6016 1 1469 . 1 1 384 384 VAL N N 15 120.950 0.2 . 1 . . . . . . . . 6016 1 1470 . 1 1 384 384 VAL H H 1 8.028 0.02 . 1 . . . . . . . . 6016 1 1471 . 1 1 384 384 VAL CA C 13 62.144 0.1 . 1 . . . . . . . . 6016 1 1472 . 1 1 384 384 VAL CB C 13 32.673 0.1 . 1 . . . . . . . . 6016 1 1473 . 1 1 384 384 VAL C C 13 175.779 0.1 . 1 . . . . . . . . 6016 1 1474 . 1 1 385 385 GLU N N 15 123.452 0.2 . 1 . . . . . . . . 6016 1 1475 . 1 1 385 385 GLU H H 1 8.653 0.02 . 1 . . . . . . . . 6016 1 1476 . 1 1 385 385 GLU CA C 13 54.430 0.1 . 1 . . . . . . . . 6016 1 1477 . 1 1 385 385 GLU CB C 13 34.766 0.1 . 1 . . . . . . . . 6016 1 1478 . 1 1 385 385 GLU C C 13 173.815 0.1 . 1 . . . . . . . . 6016 1 1479 . 1 1 386 386 GLY N N 15 107.334 0.2 . 1 . . . . . . . . 6016 1 1480 . 1 1 386 386 GLY H H 1 7.731 0.02 . 1 . . . . . . . . 6016 1 1481 . 1 1 386 386 GLY CA C 13 44.278 0.1 . 1 . . . . . . . . 6016 1 1482 . 1 1 389 389 VAL C C 13 177.255 0.1 . 1 . . . . . . . . 6016 1 1483 . 1 1 390 390 THR N N 15 126.561 0.2 . 1 . . . . . . . . 6016 1 1484 . 1 1 390 390 THR H H 1 8.143 0.02 . 1 . . . . . . . . 6016 1 1485 . 1 1 390 390 THR CA C 13 61.413 0.1 . 1 . . . . . . . . 6016 1 1486 . 1 1 390 390 THR CB C 13 71.537 0.1 . 1 . . . . . . . . 6016 1 1487 . 1 1 390 390 THR C C 13 171.989 0.1 . 1 . . . . . . . . 6016 1 1488 . 1 1 391 391 LEU N N 15 124.283 0.2 . 1 . . . . . . . . 6016 1 1489 . 1 1 391 391 LEU H H 1 8.257 0.02 . 1 . . . . . . . . 6016 1 1490 . 1 1 391 391 LEU CA C 13 54.069 0.1 . 1 . . . . . . . . 6016 1 1491 . 1 1 391 391 LEU CB C 13 41.859 0.1 . 1 . . . . . . . . 6016 1 1492 . 1 1 391 391 LEU C C 13 177.248 0.1 . 1 . . . . . . . . 6016 1 1493 . 1 1 392 392 ASP N N 15 117.465 0.2 . 1 . . . . . . . . 6016 1 1494 . 1 1 392 392 ASP H H 1 8.626 0.02 . 1 . . . . . . . . 6016 1 1495 . 1 1 392 392 ASP CA C 13 55.044 0.1 . 1 . . . . . . . . 6016 1 1496 . 1 1 392 392 ASP CB C 13 38.965 0.1 . 1 . . . . . . . . 6016 1 1497 . 1 1 392 392 ASP C C 13 177.312 0.1 . 1 . . . . . . . . 6016 1 1498 . 1 1 393 393 MET N N 15 118.392 0.2 . 1 . . . . . . . . 6016 1 1499 . 1 1 393 393 MET H H 1 8.577 0.02 . 1 . . . . . . . . 6016 1 1500 . 1 1 393 393 MET CA C 13 58.916 0.1 . 1 . . . . . . . . 6016 1 1501 . 1 1 393 393 MET CB C 13 33.051 0.1 . 1 . . . . . . . . 6016 1 1502 . 1 1 393 393 MET C C 13 178.292 0.1 . 1 . . . . . . . . 6016 1 1503 . 1 1 394 394 GLU N N 15 117.702 0.2 . 1 . . . . . . . . 6016 1 1504 . 1 1 394 394 GLU H H 1 8.907 0.02 . 1 . . . . . . . . 6016 1 1505 . 1 1 394 394 GLU CA C 13 58.788 0.1 . 1 . . . . . . . . 6016 1 1506 . 1 1 394 394 GLU CB C 13 28.303 0.1 . 1 . . . . . . . . 6016 1 1507 . 1 1 394 394 GLU C C 13 178.568 0.1 . 1 . . . . . . . . 6016 1 1508 . 1 1 395 395 ASP N N 15 119.266 0.2 . 1 . . . . . . . . 6016 1 1509 . 1 1 395 395 ASP H H 1 7.635 0.02 . 1 . . . . . . . . 6016 1 1510 . 1 1 395 395 ASP CA C 13 54.998 0.1 . 1 . . . . . . . . 6016 1 1511 . 1 1 395 395 ASP CB C 13 40.013 0.1 . 1 . . . . . . . . 6016 1 1512 . 1 1 395 395 ASP C C 13 176.578 0.1 . 1 . . . . . . . . 6016 1 1513 . 1 1 396 396 CYS N N 15 116.469 0.2 . 1 . . . . . . . . 6016 1 1514 . 1 1 396 396 CYS H H 1 7.790 0.02 . 1 . . . . . . . . 6016 1 1515 . 1 1 396 396 CYS CA C 13 56.154 0.1 . 1 . . . . . . . . 6016 1 1516 . 1 1 396 396 CYS CB C 13 38.520 0.1 . 1 . . . . . . . . 6016 1 1517 . 1 1 396 396 CYS C C 13 175.496 0.1 . 1 . . . . . . . . 6016 1 1518 . 1 1 397 397 GLY N N 15 105.158 0.2 . 1 . . . . . . . . 6016 1 1519 . 1 1 397 397 GLY H H 1 7.629 0.02 . 1 . . . . . . . . 6016 1 1520 . 1 1 397 397 GLY CA C 13 44.414 0.1 . 1 . . . . . . . . 6016 1 1521 . 1 1 397 397 GLY C C 13 172.563 0.1 . 1 . . . . . . . . 6016 1 1522 . 1 1 398 398 TYR N N 15 125.761 0.2 . 1 . . . . . . . . 6016 1 1523 . 1 1 398 398 TYR H H 1 9.479 0.02 . 1 . . . . . . . . 6016 1 1524 . 1 1 398 398 TYR CA C 13 58.420 0.1 . 1 . . . . . . . . 6016 1 1525 . 1 1 398 398 TYR CB C 13 39.222 0.1 . 1 . . . . . . . . 6016 1 1526 . 1 1 398 398 TYR C C 13 175.803 0.1 . 1 . . . . . . . . 6016 1 1527 . 1 1 399 399 ASN N N 15 126.872 0.2 . 1 . . . . . . . . 6016 1 1528 . 1 1 399 399 ASN H H 1 7.624 0.02 . 1 . . . . . . . . 6016 1 1529 . 1 1 399 399 ASN CA C 13 51.830 0.1 . 1 . . . . . . . . 6016 1 1530 . 1 1 399 399 ASN CB C 13 40.380 0.1 . 1 . . . . . . . . 6016 1 1531 . 1 1 399 399 ASN C C 13 172.956 0.1 . 1 . . . . . . . . 6016 1 1532 . 1 1 400 400 ILE N N 15 124.288 0.2 . 1 . . . . . . . . 6016 1 1533 . 1 1 400 400 ILE H H 1 8.121 0.02 . 1 . . . . . . . . 6016 1 1534 . 1 1 400 400 ILE CA C 13 59.209 0.1 . 1 . . . . . . . . 6016 1 1535 . 1 1 400 400 ILE CB C 13 37.815 0.1 . 1 . . . . . . . . 6016 1 1536 . 1 1 401 401 PRO C C 13 176.781 0.1 . 1 . . . . . . . . 6016 1 1537 . 1 1 402 402 GLN N N 15 121.887 0.2 . 1 . . . . . . . . 6016 1 1538 . 1 1 402 402 GLN H H 1 8.406 0.02 . 1 . . . . . . . . 6016 1 1539 . 1 1 402 402 GLN CA C 13 55.352 0.1 . 1 . . . . . . . . 6016 1 1540 . 1 1 402 402 GLN CB C 13 28.779 0.1 . 1 . . . . . . . . 6016 1 1541 . 1 1 402 402 GLN C C 13 176.262 0.1 . 1 . . . . . . . . 6016 1 1542 . 1 1 403 403 THR N N 15 115.961 0.2 . 1 . . . . . . . . 6016 1 1543 . 1 1 403 403 THR H H 1 8.132 0.02 . 1 . . . . . . . . 6016 1 1544 . 1 1 403 403 THR CA C 13 61.219 0.1 . 1 . . . . . . . . 6016 1 1545 . 1 1 403 403 THR CB C 13 69.444 0.1 . 1 . . . . . . . . 6016 1 1546 . 1 1 403 403 THR C C 13 174.180 0.1 . 1 . . . . . . . . 6016 1 1547 . 1 1 404 404 ASP N N 15 123.081 0.2 . 1 . . . . . . . . 6016 1 1548 . 1 1 404 404 ASP H H 1 8.326 0.02 . 1 . . . . . . . . 6016 1 1549 . 1 1 404 404 ASP CA C 13 53.840 0.1 . 1 . . . . . . . . 6016 1 1550 . 1 1 404 404 ASP CB C 13 40.747 0.1 . 1 . . . . . . . . 6016 1 1551 . 1 1 404 404 ASP C C 13 176.249 0.1 . 1 . . . . . . . . 6016 1 1552 . 1 1 405 405 GLU N N 15 121.867 0.2 . 1 . . . . . . . . 6016 1 1553 . 1 1 405 405 GLU H H 1 8.302 0.02 . 1 . . . . . . . . 6016 1 1554 . 1 1 405 405 GLU CA C 13 56.254 0.1 . 1 . . . . . . . . 6016 1 1555 . 1 1 405 405 GLU CB C 13 29.676 0.1 . 1 . . . . . . . . 6016 1 1556 . 1 1 405 405 GLU C C 13 176.442 0.1 . 1 . . . . . . . . 6016 1 1557 . 1 1 406 406 SER N N 15 117.767 0.2 . 1 . . . . . . . . 6016 1 1558 . 1 1 406 406 SER H H 1 8.320 0.02 . 1 . . . . . . . . 6016 1 1559 . 1 1 406 406 SER CA C 13 58.348 0.1 . 1 . . . . . . . . 6016 1 1560 . 1 1 406 406 SER CB C 13 63.567 0.1 . 1 . . . . . . . . 6016 1 stop_ save_