data_6183 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6183 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for cAMP-dependent protein kinase ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2004-04-20 _Entry.Accession_date 2004-04-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Langer Thomas . . . 6183 2 Vogtherr Martin . . . 6183 3 Elshorst Bettina . . . 6183 4 Betz Marco . . . 6183 5 Schieborr Ulrich . . . 6183 6 Saxena Krishna . . . 6183 7 Schwalbe Harald . . . 6183 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6183 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 191 6183 '13C chemical shifts' 579 6183 '15N chemical shifts' 191 6183 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 . . 2005-04-20 2004-04-20 original author 'original release' 6183 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6183 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15481030 _Citation.Full_citation . _Citation.Title ; NMR backbone assignment of a protein kinase catalytic domain by a combination of several approaches: Application to the catalytic subunit of cAMP-dependent protein kinase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue 11 _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 1508 _Citation.Page_last 1516 _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 Thomas Langer . . . 6183 1 2 Martin Vogtherr . . . 6183 1 3 Bettina Elshorst . . . 6183 1 4 Marco Betz . . . 6183 1 5 Ulrich Schieborr . . . 6183 1 6 Krishna Saxena . . . 6183 1 7 Harald Schwalbe . . . 6183 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 6183 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Ch. Bartels, T.-H. Xia, M. Billeter, P. Guntert, K. Wuthrich (1995). J. Biomol. NMR 5, 1-10 ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_cAPK_PKA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_cAPK_PKA _Assembly.Entry_ID 6183 _Assembly.ID 1 _Assembly.Name 'cAMP-dependent protein kinase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.1.37 _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 6183 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 'cAMP dependent protein kinase catalytic domain' 1 $cAPK_PKA . . . native . . . . . 6183 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'cAMP-dependent protein kinase' system 6183 1 'cAPK, PKA' abbreviation 6183 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'protein kinase catalytic domain' 6183 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cAPK_PKA _Entity.Sf_category entity _Entity.Sf_framecode cAPK_PKA _Entity.Entry_ID 6183 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'protein kinase catalytic domain' _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 ; GHMGNAAAAKKGSEQESVKE FLAKAKEEFLKKWESPSQNT AQLDHFDRIKTLGTGSFGRV MLVKHKETGNHYAMKILDKQ KVVKLKQIEHTLNEKRILQA VNFPFLVKLEFSFKDNSNLY MVMEYVPGGEMFSHLRRIGR FSEPHARFYAAQIVLTFEYL HSLDLIYRDLKPENLLIDQQ GYIQVTDFGFAKRVKGRTWT LCGTPEYLAPEIILSKGYNK AVDWWALGVLIYEMAAGYPP FFADQPIQIYEKIVSGKVRF PSHFSSDLKDLLRNLLQVDL TKRFGNLKNGVNDIKNHKWF ATTDWIAIYQRKVEAPFIPK FKGPGDTSNFDDYEEEEIRV SINEKCGKEFTEF ; _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 353 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'First amino acid=Gly -3' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 1APM . "2.0 Angstrom Refined Crystal Structure Of The Catalytic Subunit Of Camp-Dependent Protein Kinase Complexed With A Peptide Inhib" . . . . . 99.15 350 97.43 98.57 0.00e+00 . . . . 6183 1 2 no PDB 1ATP . "2.2 Angstrom Refined Crystal Structure Of The Catalytic Subunit Of Camp-Dependent Protein Kinase Complexed With Mnatp And A Pep" . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 3 no PDB 1BKX . "A Binary Complex Of The Catalytic Subunit Of Camp-Dependent Protein Kinase And Adenosine Further Defines Conformational Flexibi" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 4 no PDB 1BX6 . "Crystal Structure Of The Potent Natural Product Inhibitor Balanol In Complex With The Catalytic Subunit Of Camp- Dependent Prot" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 5 no PDB 1CTP . "Structure Of The Mammalian Catalytic Subunit Of Camp-Dependent Protein Kinase And An Inhibitor Peptide Displays An Open Conform" . . . . . 99.15 350 97.14 99.14 0.00e+00 . . . . 6183 1 6 no PDB 1FMO . "Crystal Structure Of A Polyhistidine-Tagged Recombinant Catalytic Subunit Of Camp-Dependent Protein Kinase Complexed With The P" . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 7 no PDB 1J3H . "Crystal Structure Of Apoenzyme Camp-Dependent Protein Kinase Catalytic Subunit" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 8 no PDB 1JBP . "Crystal Structure Of The Catalytic Subunit Of Camp- Dependent Protein Kinase Complexed With A Substrate Peptide, Adp And Deterg" . . . . . 99.15 350 97.43 98.57 0.00e+00 . . . . 6183 1 9 no PDB 1JLU . "Crystal Structure Of The Catalytic Subunit Of Camp-dependent Protein Kinase Complexed With A Phosphorylated Substrate Peptide A" . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 10 no PDB 1L3R . "Crystal Structure Of A Transition State Mimic Of The Catalytic Subunit Of Camp-Dependent Protein Kinase" . . . . . 99.15 350 97.43 98.29 0.00e+00 . . . . 6183 1 11 no PDB 1RDQ . "Hydrolysis Of Atp In The Crystal Of Y204a Mutant Of Camp-dependent Protein Kinase" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 12 no PDB 1RE8 . "Crystal Structure Of Camp-Dependent Protein Kinase Complexed With Balanol Analog 2" . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 13 no PDB 1REJ . "Crystal Structure Of Camp-Dependent Protein Kinase Complexed With Balanol Analog 1" . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 14 no PDB 1REK . "Crystal Structure Of Camp-Dependent Protein Kinase Complexed With Balanol Analog 8" . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 15 no PDB 1SVH . "Crystal Structure Of Protein Kinase A In Complex With Azepane Derivative 8" . . . . . 99.15 350 97.14 98.57 0.00e+00 . . . . 6183 1 16 no PDB 1SYK . "Crystal Structure Of E230q Mutant Of Camp-Dependent Protein Kinase Reveals Unexpected Apoenzyme Conformation" . . . . . 99.15 350 97.71 98.86 0.00e+00 . . . . 6183 1 17 no PDB 1XH5 . "Crystal Structures Of Protein Kinase B Selective Inhibitors In Complex With Protein Kinase A And Mutants" . . . . . 99.15 350 97.14 98.57 0.00e+00 . . . . 6183 1 18 no PDB 1XH6 . "Crystal Structures Of Protein Kinase B Selective Inhibitors In Complex With Protein Kinase A And Mutants" . . . . . 99.15 350 97.14 98.57 0.00e+00 . . . . 6183 1 19 no PDB 1XH8 . "Crystal Structures Of Protein Kinase B Selective Inhibitors In Complex With Protein Kinase A And Mutants" . . . . . 99.15 350 97.14 98.57 0.00e+00 . . . . 6183 1 20 no PDB 2C1A . "Structure Of Camp-Dependent Protein Kinase Complexed With Isoquinoline-5-Sulfonic Acid (2-(2-(4-Chlorobenzyloxy) Ethylamino)eth" . . . . . 99.43 351 97.15 98.58 0.00e+00 . . . . 6183 1 21 no PDB 2C1B . "Structure Of Camp-Dependent Protein Kinase Complexed With (4r,2s)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2- Ylmethanesulfonyl)isoq" . . . . . 99.43 351 97.15 98.58 0.00e+00 . . . . 6183 1 22 no PDB 2CPK . "Crystal Structure Of The Catalytic Subunit Of Cyclic Adenosine Monophosphate-Dependent Protein Kinase" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 23 no PDB 2ERZ . "Crystal Structure Of C-amp Dependent Kinase (pka) Bound To Hydroxyfasudil" . . . . . 99.43 351 98.01 98.86 0.00e+00 . . . . 6183 1 24 no PDB 2F7E . "Pka Complexed With (S)-2-(1h-Indol-3-Yl)-1-(5-Isoquinolin-6- Yl-Pyridin-3-Yloxymethyl-Etylamine" . . . . . 99.43 351 97.72 99.15 0.00e+00 . . . . 6183 1 25 no PDB 2F7X . "Protein Kinase A Bound To (s)-2-(1h-indol-3-yl)-1-[5-((e)-2- Pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine" . . . . . 99.43 351 97.72 99.15 0.00e+00 . . . . 6183 1 26 no PDB 2F7Z . "Protein Kinase A Bound To (R)-1-(1h-Indol-3-Ylmethyl)-2-(2- Pyridin-4-Yl-[1,7]naphtyridin-5-Yloxy)-Ehylamine" . . . . . 99.43 351 97.72 99.15 0.00e+00 . . . . 6183 1 27 no PDB 2GFC . "Camp-Dependent Protein Kinase Pka Catalytic Subunit With Pki-5-24" . . . . . 99.15 350 97.14 98.57 0.00e+00 . . . . 6183 1 28 no PDB 2GU8 . "Discovery Of 2-pyrimidyl-5-amidothiophenes As Novel And Potent Inhibitors For Akt: Synthesis And Sar Studies" . . . . . 95.47 337 97.63 98.81 0.00e+00 . . . . 6183 1 29 no PDB 2OH0 . "Crystal Structure Of Protein Kinase A In Complex With Pyridine-Pyrazolopyridine Based Inhibitors" . . . . . 99.43 351 97.72 99.15 0.00e+00 . . . . 6183 1 30 no PDB 2OJF . "Crystal Structure Of Protein Kinase A In Complex With Pyridine-Pyrazolopyridine Based Inhibitors" . . . . . 99.43 351 97.72 99.15 0.00e+00 . . . . 6183 1 31 no PDB 2QCS . "A Complex Structure Between The Catalytic And Regulatory Subunit Of Protein Kinase A That Represents The Inhibited State" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 32 no PDB 2QUR . "Crystal Structure Of F327aK285P MUTANT OF CAMP-Dependent Protein Kinase" . . . . . 99.15 350 97.43 98.29 0.00e+00 . . . . 6183 1 33 no PDB 2QVS . "Crystal Structure Of Type Iia Holoenzyme Of Camp-Dependent Protein Kinase" . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 34 no PDB 2UZT . "Pka Structures Of Akt, Indazole-Pyridine Inhibitors" . . . . . 95.18 336 97.32 99.11 0.00e+00 . . . . 6183 1 35 no PDB 2UZU . "Pka Structures Of Indazole-Pyridine Series Of Akt Inhibitors" . . . . . 95.18 336 97.32 99.11 0.00e+00 . . . . 6183 1 36 no PDB 2UZV . "Pka Structures Of Indazole-pyridine Series Of Akt Inhibitors" . . . . . 95.18 336 97.32 99.11 0.00e+00 . . . . 6183 1 37 no PDB 2UZW . "Pka Structures Of Indazole-Pyridine Series Of Akt Inhibitors" . . . . . 95.18 336 97.32 99.11 0.00e+00 . . . . 6183 1 38 no PDB 2VO7 . "Structure Of Pka Complexed With 4-(4-Chlorobenzyl)-1-(7h- Pyrrolo(2,3-D)pyrimidin-4-Yl)piperidin-4-Ylamine" . . . . . 99.43 351 97.15 98.58 0.00e+00 . . . . 6183 1 39 no PDB 3AG9 . "Complex Of Pka With The Bisubstrate Protein Kinase Inhibitor Arc-1012" . . . . . 99.43 351 97.15 98.58 0.00e+00 . . . . 6183 1 40 no PDB 3AGL . "Complex Of Pka With The Bisubstrate Protein Kinase Inhibitor Arc-1039" . . . . . 99.43 351 97.44 98.58 0.00e+00 . . . . 6183 1 41 no PDB 3AGM . "Complex Of Pka With The Bisubstrate Protein Kinase Inhibitor Arc-670" . . . . . 99.43 351 97.72 98.86 0.00e+00 . . . . 6183 1 42 no PDB 3FHI . "Crystal Structure Of A Complex Between The Catalytic And Regulatory (Ri{alpha}) Subunits Of Pka" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 43 no PDB 3FJQ . "Crystal Structure Of Camp-Dependent Protein Kinase Catalytic Subunit Alpha In Complex With Peptide Inhibitor Pki Alpha (6-25)" . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 44 no PDB 3IDB . "Crystal Structure Of (108-268)riib:c Holoenzyme Of Camp- Dependent Protein Kinase" . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 45 no PDB 3IDC . "Crystal Structure Of (102-265)riib:c Holoenzyme Of Camp- Dependent Protein Kinase" . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 46 no PDB 3J4Q . "Pseudo-atomic Model Of The Akap18-pka Complex In A Bent Conformation Derived From Electron Microscopy" . . . . . 99.43 351 98.58 99.43 0.00e+00 . . . . 6183 1 47 no PDB 3J4R . "Pseudo-atomic Model Of The Akap18-pka Complex In A Linear Conformation Derived From Electron Microscopy" . . . . . 99.43 351 98.58 99.43 0.00e+00 . . . . 6183 1 48 no PDB 3L9L . "Crystal Structure Of Pka With Compound 36" . . . . . 99.43 351 97.72 98.86 0.00e+00 . . . . 6183 1 49 no PDB 3MVJ . "Human Cyclic Amp-Dependent Protein Kinase Pka Inhibitor Complex" . . . . . 99.72 371 97.73 98.86 0.00e+00 . . . . 6183 1 50 no PDB 3NX8 . "Human Camp Dependent Protein Kinase In Complex With Phenol" . . . . . 99.43 351 97.44 98.58 0.00e+00 . . . . 6183 1 51 no PDB 3O7L . "Crystal Structure Of Phospholamban (1-19):pka C-Subunit:amp-Pnp:mg2+ Complex" . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 52 no PDB 3OOG . "Human Camp-Dependent Protein Kinase In Complex With A Small Fragment" . . . . . 99.43 351 97.72 98.86 0.00e+00 . . . . 6183 1 53 no PDB 3OVV . "Human Camp-Dependent Protein Kinase In Complex With An Inhibitor" . . . . . 99.43 351 97.72 98.86 0.00e+00 . . . . 6183 1 54 no PDB 3OW3 . "Discovery Of Dihydrothieno- And Dihydrofuropyrimidines As Potent Pan Akt Inhibitors" . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 55 no PDB 3OWP . "Human Camp-Dependent Protein Kinase In Complex With An Inhibitor" . . . . . 99.43 351 97.72 98.86 0.00e+00 . . . . 6183 1 56 no PDB 3OXT . "Human Camp-Dependent Protein Kinase In Complex With An Inhibitor" . . . . . 99.43 351 97.72 98.86 0.00e+00 . . . . 6183 1 57 no PDB 3P0M . "Human Camp-Dependent Protein Kinase In Complex With An Inhibitor" . . . . . 99.43 351 97.72 98.86 0.00e+00 . . . . 6183 1 58 no PDB 3POO . "Human Camp-Dependent Protein Kinase In Complex With An Inhibitor" . . . . . 99.43 351 97.72 98.86 0.00e+00 . . . . 6183 1 59 no PDB 3PVB . "Crystal Structure Of (73-244)ria:c Holoenzyme Of Camp-dependent Protein Kinase" . . . . . 97.73 345 97.39 98.26 0.00e+00 . . . . 6183 1 60 no PDB 3QAL . "Crystal Structure Of Arg280ala Mutant Of Catalytic Subunit Of Camp- Dependent Protein Kinase" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 61 no PDB 3QAM . "Crystal Structure Of Glu208ala Mutant Of Catalytic Subunit Of Camp- Dependent Protein Kinase" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 62 no PDB 3TNP . "Structure And Allostery Of The Pka Riib Tetrameric Holoenzyme" . . . . . 99.15 350 97.43 98.29 0.00e+00 . . . . 6183 1 63 no PDB 3TNQ . "Structure And Allostery Of The Pka Riib Tetrameric Holoenzyme" . . . . . 99.15 350 97.43 98.29 0.00e+00 . . . . 6183 1 64 no PDB 3VQH . "Bromine Sad Partially Resolves Multiple Binding Modes For Pka Inhibitor H-89" . . . . . 99.43 351 97.44 98.58 0.00e+00 . . . . 6183 1 65 no PDB 3ZO4 . "The Synthesis And Evaluation Of Diazaspirocyclic Protein Kinase Inhibitors" . . . . . 99.43 351 97.15 98.58 0.00e+00 . . . . 6183 1 66 no PDB 4DFX . "Crystal Structure Of Myristoylated K7c Catalytic Subunit Of Camp- Dependent Protein Kinase In Complex With Sp20 And Amp-Pnp" . . . . . 99.15 350 97.43 98.29 0.00e+00 . . . . 6183 1 67 no PDB 4DFY . "Crystal Structure Of R194a Mutant Of Camp-Dependent Protein Kinase With Unphosphorylated Activation Loop" . . . . . 99.72 371 98.01 98.86 0.00e+00 . . . . 6183 1 68 no PDB 4DFZ . "Crystal Structure Of Myristoylated K7c Catalytic Subunit Of Camp- Dependent Protein Kinase In Complex With Sp20" . . . . . 99.15 350 97.43 98.29 0.00e+00 . . . . 6183 1 69 no PDB 4DG0 . "Crystal Structure Of Myristoylated Wt Catalytic Subunit Of Camp- Dependent Protein Kinase In Complex With Sp20 And Amp-Pnp" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 70 no PDB 4DG2 . "Crystal Structure Of Myristoylated Wt Catalytic Subunit Of Camp- Dependent Protein Kinase In Complex With Sp20" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 71 no PDB 4DG3 . "Crystal Structure Of R336a Mutant Of Camp-dependent Protein Kinase With Unphosphorylated Turn Motif" . . . . . 99.72 371 97.73 98.58 0.00e+00 . . . . 6183 1 72 no PDB 4DH1 . "Low Temperature X-ray Structure Of Camp Dependent Protein Kinase A Catalytic Subunit With Low Mg2+, Atp And Ip20" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 73 no PDB 4DH3 . "Low Temperature X-ray Structure Of Camp Dependent Protein Kinase A Catalytic Subunit With High Mg2+, Atp And Ip20" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 74 no PDB 4DH5 . "Room Temperature X-ray Structure Of Camp Dependent Protein Kinase A Catalytic Subunit With High Mg2+, Adp, Phosphate, And Ip20" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 75 no PDB 4DH7 . "Low Temperature X-ray Structure Of Camp Dependent Protein Kinase A Catalytic Subunit With High Mg2+, Amp-pnp And Ip20'" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 76 no PDB 4DH8 . "Room Temperature X-ray Structure Of Camp Dependent Protein Kinase A Catalytic Subunit With High Mg2+, Amp-pnp And Ip20" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 77 no PDB 4DIN . "Novel Localization And Quaternary Structure Of The Pka Ri Beta Holoenzyme" . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 78 no PDB 4HPT . "Crystal Structure Of The Catalytic Subunit Of Camp-dependent Protein Kinase Displaying Complete Phosphoryl Transfer Of Amp-pnp " . . . . . 99.15 350 98.00 98.86 0.00e+00 . . . . 6183 1 79 no PDB 4HPU . "Crystal Structure Of The Catalytic Subunit Of Camp-dependent Protein Kinase Displaying Partial Phosphoryl Transfer Of Amp-pnp O" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 80 no PDB 4IAC . "X-ray Structure Of Camp Dependent Protein Kinase A In Compelx With High Mg2+ Concentration, Amp-pcp And Pseudo-substrate Peptid" . . . . . 99.72 356 97.44 98.30 0.00e+00 . . . . 6183 1 81 no PDB 4IAD . "Low Temperature X-ray Structure Of Camp Dependent Protein Kinase A In Compelx With High Mg2+ Concentration, Adp And Phosphoryla" . . . . . 99.72 356 97.44 98.30 0.00e+00 . . . . 6183 1 82 no PDB 4IAF . "Room Temperature X-ray Structure Of Camp Dependent Protein Kinase A In Complex With High Mg2+ Concentration, Adp And Phosphoryl" . . . . . 99.72 356 97.44 98.30 0.00e+00 . . . . 6183 1 83 no PDB 4IAI . "X-ray Structure Of Camp Dependent Protein Kinase A In Complex With High Ca2+ Concentration, Adp And Phosphorylated Peptide Psp2" . . . . . 99.72 356 97.44 98.30 0.00e+00 . . . . 6183 1 84 no PDB 4IAK . "Low Temperature X-ray Structure Of Camp Dependent Protein Kinase A In Complex With High Sr2+ Concentration, Adp And Phosphoryla" . . . . . 99.72 356 97.44 98.30 0.00e+00 . . . . 6183 1 85 no PDB 4IAY . "Room Temperature X-ray Structure Of Camp Dependent Protein Kinase A In Complex With High Sr2+ Concentration, Adp And Phosphoryl" . . . . . 99.72 356 97.44 98.30 0.00e+00 . . . . 6183 1 86 no PDB 4IAZ . "Structure Of Camp Dependent Protein Kinase A In Complex With High Ba2+ Concentration, Adp And Phosphorylated Peptide Psp20" . . . . . 99.72 356 97.44 98.30 0.00e+00 . . . . 6183 1 87 no PDB 4IB0 . "X-ray Structure Of Camp Dependent Protein Kinase A In Complex With High Na+ Concentration, Adp And Phosphorylated Peptide Psp20" . . . . . 99.72 356 97.44 98.30 0.00e+00 . . . . 6183 1 88 no PDB 4IB1 . "Structure Of Camp Dependent Protein Kinase A In Complex With High K+ Concentration, Adp And Phosphorylated Peptide Psp20" . . . . . 99.72 356 97.44 98.30 0.00e+00 . . . . 6183 1 89 no PDB 4IB3 . "Structure Of Camp Dependent Protein Kinase A In Complex With Adp, Phosphorylated Peptide Psp20, And No Metal" . . . . . 99.72 356 97.44 98.30 0.00e+00 . . . . 6183 1 90 no PDB 4IE9 . "Bovine Pka C-alpha In Complex With 3-pyridylmethyl-5-methyl-1h- Pyrazole-3-carboxylate" . . . . . 99.43 351 97.15 98.58 0.00e+00 . . . . 6183 1 91 no PDB 4IJ9 . "Bovine Pka C-alpha In Complex With 2-[[5-(4-pyridyl)-1h-1,2,4-triazol- 3-yl]sulfanyl]-1-(2-thiophenyl)ethanone" . . . . . 99.15 350 97.14 98.57 0.00e+00 . . . . 6183 1 92 no PDB 4NTS . "Apo Structure Of The Catalytic Subunit Of Camp-dependent Protein Kinase" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 93 no PDB 4NTT . "Structure Of The Catalytic Subunit Of Camp-dependent Protein Kinase Bound To Adp And One Magnesium Ion" . . . . . 99.15 350 97.71 98.57 0.00e+00 . . . . 6183 1 94 no PDB 4O21 . "Product Complex Of Metal-free Pkac, Atp-gamma-s And Sp20." . . . . . 95.18 342 97.62 98.51 0.00e+00 . . . . 6183 1 95 no PDB 4O22 . "Binary Complex Of Metal-free Pkac With Sp20" . . . . . 95.18 342 97.62 98.51 0.00e+00 . . . . 6183 1 96 no PDB 4WIH . "Crystal Structure Of Camp-dependent Protein Kinase A From Cricetulus Griseus" . . . . . 100.00 353 99.15 99.15 0.00e+00 . . . . 6183 1 97 no DBJ BAF82836 . "unnamed protein product [Homo sapiens]" . . . . . 99.43 351 98.29 99.43 0.00e+00 . . . . 6183 1 98 no DBJ BAH13444 . "unnamed protein product [Homo sapiens]" . . . . . 56.37 230 100.00 100.00 3.17e-142 . . . . 6183 1 99 no DBJ BAI46794 . "protein kinase, cAMP-dependent, catalytic, alpha [synthetic construct]" . . . . . 99.43 351 98.29 99.43 0.00e+00 . . . . 6183 1 100 no EMBL CAA30597 . "unnamed protein product [Homo sapiens]" . . . . . 99.43 351 98.29 99.43 0.00e+00 . . . . 6183 1 101 no EMBL CAA41052 . "cAMP-dependent protein kinase subunit C alpha [Rattus rattus]" . . . . . 99.43 351 99.15 99.72 0.00e+00 . . . . 6183 1 102 no EMBL CAA47627 . "protein kinase [Bos taurus]" . . . . . 99.43 351 97.72 99.15 0.00e+00 . . . . 6183 1 103 no GB AAA37010 . "cAMP-dependent protein kinase alpha-catalytic subunit [Cricetulus sp.]" . . . . . 99.43 351 100.00 100.00 0.00e+00 . . . . 6183 1 104 no GB AAA39936 . "cAMP-dependent protein kinase catalytic subunit [Mus musculus domesticus]" . . . . . 99.43 351 98.29 99.15 0.00e+00 . . . . 6183 1 105 no GB AAA39937 . "cAMP-dependent protein kinase alpha subunit, partial [Mus musculus]" . . . . . 99.43 351 98.58 99.43 0.00e+00 . . . . 6183 1 106 no GB AAA60094 . "protein kinase A-alpha, partial [Homo sapiens]" . . . . . 55.81 207 97.46 98.98 2.63e-136 . . . . 6183 1 107 no GB AAF76423 . "cAMP-dependent protein kinase catalytic subunit Calpha1 [Ovis aries]" . . . . . 99.43 351 97.72 99.15 0.00e+00 . . . . 6183 1 108 no REF NP_001003032 . "cAMP-dependent protein kinase catalytic subunit alpha [Canis lupus familiaris]" . . . . . 99.43 350 97.44 98.86 0.00e+00 . . . . 6183 1 109 no REF NP_001009234 . "cAMP-dependent protein kinase catalytic subunit alpha [Ovis aries]" . . . . . 99.43 351 97.72 99.15 0.00e+00 . . . . 6183 1 110 no REF NP_001094392 . "cAMP-dependent protein kinase catalytic subunit alpha [Rattus norvegicus]" . . . . . 99.43 351 99.15 100.00 0.00e+00 . . . . 6183 1 111 no REF NP_001264827 . "cAMP-dependent protein kinase catalytic subunit alpha isoform 2 [Mus musculus]" . . . . . 96.88 343 97.08 97.95 0.00e+00 . . . . 6183 1 112 no REF NP_001291278 . "cAMP-dependent protein kinase catalytic subunit alpha isoform 3 [Homo sapiens]" . . . . . 95.18 427 98.21 99.40 0.00e+00 . . . . 6183 1 113 no SP P00517 . "RecName: Full=cAMP-dependent protein kinase catalytic subunit alpha; Short=PKA C-alpha [Bos taurus]" . . . . . 99.43 351 97.72 99.15 0.00e+00 . . . . 6183 1 114 no SP P05132 . "RecName: Full=cAMP-dependent protein kinase catalytic subunit alpha; Short=PKA C-alpha [Mus musculus]" . . . . . 99.43 351 98.58 99.43 0.00e+00 . . . . 6183 1 115 no SP P17612 . "RecName: Full=cAMP-dependent protein kinase catalytic subunit alpha; Short=PKA C-alpha [Homo sapiens]" . . . . . 99.43 351 98.29 99.43 0.00e+00 . . . . 6183 1 116 no SP P25321 . "RecName: Full=cAMP-dependent protein kinase catalytic subunit alpha; Short=PKA C-alpha [Cricetulus griseus]" . . . . . 99.43 351 100.00 100.00 0.00e+00 . . . . 6183 1 117 no SP P27791 . "RecName: Full=cAMP-dependent protein kinase catalytic subunit alpha; Short=PKA C-alpha [Rattus norvegicus]" . . . . . 99.43 351 99.15 99.72 0.00e+00 . . . . 6183 1 118 no TPG DAA28080 . "TPA: cAMP-dependent protein kinase catalytic subunit alpha [Bos taurus]" . . . . . 99.43 351 97.72 99.15 0.00e+00 . . . . 6183 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'protein kinase catalytic domain' common 6183 1 'cAPK, PKA' abbreviation 6183 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 -3 GLY . 6183 1 2 -2 HIS . 6183 1 3 -1 MET . 6183 1 4 1 GLY . 6183 1 5 2 ASN . 6183 1 6 3 ALA . 6183 1 7 4 ALA . 6183 1 8 5 ALA . 6183 1 9 6 ALA . 6183 1 10 7 LYS . 6183 1 11 8 LYS . 6183 1 12 9 GLY . 6183 1 13 10 SER . 6183 1 14 11 GLU . 6183 1 15 12 GLN . 6183 1 16 13 GLU . 6183 1 17 14 SER . 6183 1 18 15 VAL . 6183 1 19 16 LYS . 6183 1 20 17 GLU . 6183 1 21 18 PHE . 6183 1 22 19 LEU . 6183 1 23 20 ALA . 6183 1 24 21 LYS . 6183 1 25 22 ALA . 6183 1 26 23 LYS . 6183 1 27 24 GLU . 6183 1 28 25 GLU . 6183 1 29 26 PHE . 6183 1 30 27 LEU . 6183 1 31 28 LYS . 6183 1 32 29 LYS . 6183 1 33 30 TRP . 6183 1 34 31 GLU . 6183 1 35 32 SER . 6183 1 36 33 PRO . 6183 1 37 34 SER . 6183 1 38 35 GLN . 6183 1 39 36 ASN . 6183 1 40 37 THR . 6183 1 41 38 ALA . 6183 1 42 39 GLN . 6183 1 43 40 LEU . 6183 1 44 41 ASP . 6183 1 45 42 HIS . 6183 1 46 43 PHE . 6183 1 47 44 ASP . 6183 1 48 45 ARG . 6183 1 49 46 ILE . 6183 1 50 47 LYS . 6183 1 51 48 THR . 6183 1 52 49 LEU . 6183 1 53 50 GLY . 6183 1 54 51 THR . 6183 1 55 52 GLY . 6183 1 56 53 SER . 6183 1 57 54 PHE . 6183 1 58 55 GLY . 6183 1 59 56 ARG . 6183 1 60 57 VAL . 6183 1 61 58 MET . 6183 1 62 59 LEU . 6183 1 63 60 VAL . 6183 1 64 61 LYS . 6183 1 65 62 HIS . 6183 1 66 63 LYS . 6183 1 67 64 GLU . 6183 1 68 65 THR . 6183 1 69 66 GLY . 6183 1 70 67 ASN . 6183 1 71 68 HIS . 6183 1 72 69 TYR . 6183 1 73 70 ALA . 6183 1 74 71 MET . 6183 1 75 72 LYS . 6183 1 76 73 ILE . 6183 1 77 74 LEU . 6183 1 78 75 ASP . 6183 1 79 76 LYS . 6183 1 80 77 GLN . 6183 1 81 78 LYS . 6183 1 82 79 VAL . 6183 1 83 80 VAL . 6183 1 84 81 LYS . 6183 1 85 82 LEU . 6183 1 86 83 LYS . 6183 1 87 84 GLN . 6183 1 88 85 ILE . 6183 1 89 86 GLU . 6183 1 90 87 HIS . 6183 1 91 88 THR . 6183 1 92 89 LEU . 6183 1 93 90 ASN . 6183 1 94 91 GLU . 6183 1 95 92 LYS . 6183 1 96 93 ARG . 6183 1 97 94 ILE . 6183 1 98 95 LEU . 6183 1 99 96 GLN . 6183 1 100 97 ALA . 6183 1 101 98 VAL . 6183 1 102 99 ASN . 6183 1 103 100 PHE . 6183 1 104 101 PRO . 6183 1 105 102 PHE . 6183 1 106 103 LEU . 6183 1 107 104 VAL . 6183 1 108 105 LYS . 6183 1 109 106 LEU . 6183 1 110 107 GLU . 6183 1 111 108 PHE . 6183 1 112 109 SER . 6183 1 113 110 PHE . 6183 1 114 111 LYS . 6183 1 115 112 ASP . 6183 1 116 113 ASN . 6183 1 117 114 SER . 6183 1 118 115 ASN . 6183 1 119 116 LEU . 6183 1 120 117 TYR . 6183 1 121 118 MET . 6183 1 122 119 VAL . 6183 1 123 120 MET . 6183 1 124 121 GLU . 6183 1 125 122 TYR . 6183 1 126 123 VAL . 6183 1 127 124 PRO . 6183 1 128 125 GLY . 6183 1 129 126 GLY . 6183 1 130 127 GLU . 6183 1 131 128 MET . 6183 1 132 129 PHE . 6183 1 133 130 SER . 6183 1 134 131 HIS . 6183 1 135 132 LEU . 6183 1 136 133 ARG . 6183 1 137 134 ARG . 6183 1 138 135 ILE . 6183 1 139 136 GLY . 6183 1 140 137 ARG . 6183 1 141 138 PHE . 6183 1 142 139 SER . 6183 1 143 140 GLU . 6183 1 144 141 PRO . 6183 1 145 142 HIS . 6183 1 146 143 ALA . 6183 1 147 144 ARG . 6183 1 148 145 PHE . 6183 1 149 146 TYR . 6183 1 150 147 ALA . 6183 1 151 148 ALA . 6183 1 152 149 GLN . 6183 1 153 150 ILE . 6183 1 154 151 VAL . 6183 1 155 152 LEU . 6183 1 156 153 THR . 6183 1 157 154 PHE . 6183 1 158 155 GLU . 6183 1 159 156 TYR . 6183 1 160 157 LEU . 6183 1 161 158 HIS . 6183 1 162 159 SER . 6183 1 163 160 LEU . 6183 1 164 161 ASP . 6183 1 165 162 LEU . 6183 1 166 163 ILE . 6183 1 167 164 TYR . 6183 1 168 165 ARG . 6183 1 169 166 ASP . 6183 1 170 167 LEU . 6183 1 171 168 LYS . 6183 1 172 169 PRO . 6183 1 173 170 GLU . 6183 1 174 171 ASN . 6183 1 175 172 LEU . 6183 1 176 173 LEU . 6183 1 177 174 ILE . 6183 1 178 175 ASP . 6183 1 179 176 GLN . 6183 1 180 177 GLN . 6183 1 181 178 GLY . 6183 1 182 179 TYR . 6183 1 183 180 ILE . 6183 1 184 181 GLN . 6183 1 185 182 VAL . 6183 1 186 183 THR . 6183 1 187 184 ASP . 6183 1 188 185 PHE . 6183 1 189 186 GLY . 6183 1 190 187 PHE . 6183 1 191 188 ALA . 6183 1 192 189 LYS . 6183 1 193 190 ARG . 6183 1 194 191 VAL . 6183 1 195 192 LYS . 6183 1 196 193 GLY . 6183 1 197 194 ARG . 6183 1 198 195 THR . 6183 1 199 196 TRP . 6183 1 200 197 THR . 6183 1 201 198 LEU . 6183 1 202 199 CYS . 6183 1 203 200 GLY . 6183 1 204 201 THR . 6183 1 205 202 PRO . 6183 1 206 203 GLU . 6183 1 207 204 TYR . 6183 1 208 205 LEU . 6183 1 209 206 ALA . 6183 1 210 207 PRO . 6183 1 211 208 GLU . 6183 1 212 209 ILE . 6183 1 213 210 ILE . 6183 1 214 211 LEU . 6183 1 215 212 SER . 6183 1 216 213 LYS . 6183 1 217 214 GLY . 6183 1 218 215 TYR . 6183 1 219 216 ASN . 6183 1 220 217 LYS . 6183 1 221 218 ALA . 6183 1 222 219 VAL . 6183 1 223 220 ASP . 6183 1 224 221 TRP . 6183 1 225 222 TRP . 6183 1 226 223 ALA . 6183 1 227 224 LEU . 6183 1 228 225 GLY . 6183 1 229 226 VAL . 6183 1 230 227 LEU . 6183 1 231 228 ILE . 6183 1 232 229 TYR . 6183 1 233 230 GLU . 6183 1 234 231 MET . 6183 1 235 232 ALA . 6183 1 236 233 ALA . 6183 1 237 234 GLY . 6183 1 238 235 TYR . 6183 1 239 236 PRO . 6183 1 240 237 PRO . 6183 1 241 238 PHE . 6183 1 242 239 PHE . 6183 1 243 240 ALA . 6183 1 244 241 ASP . 6183 1 245 242 GLN . 6183 1 246 243 PRO . 6183 1 247 244 ILE . 6183 1 248 245 GLN . 6183 1 249 246 ILE . 6183 1 250 247 TYR . 6183 1 251 248 GLU . 6183 1 252 249 LYS . 6183 1 253 250 ILE . 6183 1 254 251 VAL . 6183 1 255 252 SER . 6183 1 256 253 GLY . 6183 1 257 254 LYS . 6183 1 258 255 VAL . 6183 1 259 256 ARG . 6183 1 260 257 PHE . 6183 1 261 258 PRO . 6183 1 262 259 SER . 6183 1 263 260 HIS . 6183 1 264 261 PHE . 6183 1 265 262 SER . 6183 1 266 263 SER . 6183 1 267 264 ASP . 6183 1 268 265 LEU . 6183 1 269 266 LYS . 6183 1 270 267 ASP . 6183 1 271 268 LEU . 6183 1 272 269 LEU . 6183 1 273 270 ARG . 6183 1 274 271 ASN . 6183 1 275 272 LEU . 6183 1 276 273 LEU . 6183 1 277 274 GLN . 6183 1 278 275 VAL . 6183 1 279 276 ASP . 6183 1 280 277 LEU . 6183 1 281 278 THR . 6183 1 282 279 LYS . 6183 1 283 280 ARG . 6183 1 284 281 PHE . 6183 1 285 282 GLY . 6183 1 286 283 ASN . 6183 1 287 284 LEU . 6183 1 288 285 LYS . 6183 1 289 286 ASN . 6183 1 290 287 GLY . 6183 1 291 288 VAL . 6183 1 292 289 ASN . 6183 1 293 290 ASP . 6183 1 294 291 ILE . 6183 1 295 292 LYS . 6183 1 296 293 ASN . 6183 1 297 294 HIS . 6183 1 298 295 LYS . 6183 1 299 296 TRP . 6183 1 300 297 PHE . 6183 1 301 298 ALA . 6183 1 302 299 THR . 6183 1 303 300 THR . 6183 1 304 301 ASP . 6183 1 305 302 TRP . 6183 1 306 303 ILE . 6183 1 307 304 ALA . 6183 1 308 305 ILE . 6183 1 309 306 TYR . 6183 1 310 307 GLN . 6183 1 311 308 ARG . 6183 1 312 309 LYS . 6183 1 313 310 VAL . 6183 1 314 311 GLU . 6183 1 315 312 ALA . 6183 1 316 313 PRO . 6183 1 317 314 PHE . 6183 1 318 315 ILE . 6183 1 319 316 PRO . 6183 1 320 317 LYS . 6183 1 321 318 PHE . 6183 1 322 319 LYS . 6183 1 323 320 GLY . 6183 1 324 321 PRO . 6183 1 325 322 GLY . 6183 1 326 323 ASP . 6183 1 327 324 THR . 6183 1 328 325 SER . 6183 1 329 326 ASN . 6183 1 330 327 PHE . 6183 1 331 328 ASP . 6183 1 332 329 ASP . 6183 1 333 330 TYR . 6183 1 334 331 GLU . 6183 1 335 332 GLU . 6183 1 336 333 GLU . 6183 1 337 334 GLU . 6183 1 338 335 ILE . 6183 1 339 336 ARG . 6183 1 340 337 VAL . 6183 1 341 338 SER . 6183 1 342 339 ILE . 6183 1 343 340 ASN . 6183 1 344 341 GLU . 6183 1 345 342 LYS . 6183 1 346 343 CYS . 6183 1 347 344 GLY . 6183 1 348 345 LYS . 6183 1 349 346 GLU . 6183 1 350 347 PHE . 6183 1 351 348 THR . 6183 1 352 349 GLU . 6183 1 353 350 PHE . 6183 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 . GLY 1 1 6183 1 . HIS 2 2 6183 1 . MET 3 3 6183 1 . GLY 4 4 6183 1 . ASN 5 5 6183 1 . ALA 6 6 6183 1 . ALA 7 7 6183 1 . ALA 8 8 6183 1 . ALA 9 9 6183 1 . LYS 10 10 6183 1 . LYS 11 11 6183 1 . GLY 12 12 6183 1 . SER 13 13 6183 1 . GLU 14 14 6183 1 . GLN 15 15 6183 1 . GLU 16 16 6183 1 . SER 17 17 6183 1 . VAL 18 18 6183 1 . LYS 19 19 6183 1 . GLU 20 20 6183 1 . PHE 21 21 6183 1 . LEU 22 22 6183 1 . ALA 23 23 6183 1 . LYS 24 24 6183 1 . ALA 25 25 6183 1 . LYS 26 26 6183 1 . GLU 27 27 6183 1 . GLU 28 28 6183 1 . PHE 29 29 6183 1 . LEU 30 30 6183 1 . LYS 31 31 6183 1 . LYS 32 32 6183 1 . TRP 33 33 6183 1 . GLU 34 34 6183 1 . SER 35 35 6183 1 . PRO 36 36 6183 1 . SER 37 37 6183 1 . GLN 38 38 6183 1 . ASN 39 39 6183 1 . THR 40 40 6183 1 . ALA 41 41 6183 1 . GLN 42 42 6183 1 . LEU 43 43 6183 1 . ASP 44 44 6183 1 . HIS 45 45 6183 1 . PHE 46 46 6183 1 . ASP 47 47 6183 1 . ARG 48 48 6183 1 . ILE 49 49 6183 1 . LYS 50 50 6183 1 . THR 51 51 6183 1 . LEU 52 52 6183 1 . GLY 53 53 6183 1 . THR 54 54 6183 1 . GLY 55 55 6183 1 . SER 56 56 6183 1 . PHE 57 57 6183 1 . GLY 58 58 6183 1 . ARG 59 59 6183 1 . VAL 60 60 6183 1 . MET 61 61 6183 1 . LEU 62 62 6183 1 . VAL 63 63 6183 1 . LYS 64 64 6183 1 . HIS 65 65 6183 1 . LYS 66 66 6183 1 . GLU 67 67 6183 1 . THR 68 68 6183 1 . GLY 69 69 6183 1 . ASN 70 70 6183 1 . HIS 71 71 6183 1 . TYR 72 72 6183 1 . ALA 73 73 6183 1 . MET 74 74 6183 1 . LYS 75 75 6183 1 . ILE 76 76 6183 1 . LEU 77 77 6183 1 . ASP 78 78 6183 1 . LYS 79 79 6183 1 . GLN 80 80 6183 1 . LYS 81 81 6183 1 . VAL 82 82 6183 1 . VAL 83 83 6183 1 . LYS 84 84 6183 1 . LEU 85 85 6183 1 . LYS 86 86 6183 1 . GLN 87 87 6183 1 . ILE 88 88 6183 1 . GLU 89 89 6183 1 . HIS 90 90 6183 1 . THR 91 91 6183 1 . LEU 92 92 6183 1 . ASN 93 93 6183 1 . GLU 94 94 6183 1 . LYS 95 95 6183 1 . ARG 96 96 6183 1 . ILE 97 97 6183 1 . LEU 98 98 6183 1 . GLN 99 99 6183 1 . ALA 100 100 6183 1 . VAL 101 101 6183 1 . ASN 102 102 6183 1 . PHE 103 103 6183 1 . PRO 104 104 6183 1 . PHE 105 105 6183 1 . LEU 106 106 6183 1 . VAL 107 107 6183 1 . LYS 108 108 6183 1 . LEU 109 109 6183 1 . GLU 110 110 6183 1 . PHE 111 111 6183 1 . SER 112 112 6183 1 . PHE 113 113 6183 1 . LYS 114 114 6183 1 . ASP 115 115 6183 1 . ASN 116 116 6183 1 . SER 117 117 6183 1 . ASN 118 118 6183 1 . LEU 119 119 6183 1 . TYR 120 120 6183 1 . MET 121 121 6183 1 . VAL 122 122 6183 1 . MET 123 123 6183 1 . GLU 124 124 6183 1 . TYR 125 125 6183 1 . VAL 126 126 6183 1 . PRO 127 127 6183 1 . GLY 128 128 6183 1 . GLY 129 129 6183 1 . GLU 130 130 6183 1 . MET 131 131 6183 1 . PHE 132 132 6183 1 . SER 133 133 6183 1 . HIS 134 134 6183 1 . LEU 135 135 6183 1 . ARG 136 136 6183 1 . ARG 137 137 6183 1 . ILE 138 138 6183 1 . GLY 139 139 6183 1 . ARG 140 140 6183 1 . PHE 141 141 6183 1 . SER 142 142 6183 1 . GLU 143 143 6183 1 . PRO 144 144 6183 1 . HIS 145 145 6183 1 . ALA 146 146 6183 1 . ARG 147 147 6183 1 . PHE 148 148 6183 1 . TYR 149 149 6183 1 . ALA 150 150 6183 1 . ALA 151 151 6183 1 . GLN 152 152 6183 1 . ILE 153 153 6183 1 . VAL 154 154 6183 1 . LEU 155 155 6183 1 . THR 156 156 6183 1 . PHE 157 157 6183 1 . GLU 158 158 6183 1 . TYR 159 159 6183 1 . LEU 160 160 6183 1 . HIS 161 161 6183 1 . SER 162 162 6183 1 . LEU 163 163 6183 1 . ASP 164 164 6183 1 . LEU 165 165 6183 1 . ILE 166 166 6183 1 . TYR 167 167 6183 1 . ARG 168 168 6183 1 . ASP 169 169 6183 1 . LEU 170 170 6183 1 . LYS 171 171 6183 1 . PRO 172 172 6183 1 . GLU 173 173 6183 1 . ASN 174 174 6183 1 . LEU 175 175 6183 1 . LEU 176 176 6183 1 . ILE 177 177 6183 1 . ASP 178 178 6183 1 . GLN 179 179 6183 1 . GLN 180 180 6183 1 . GLY 181 181 6183 1 . TYR 182 182 6183 1 . ILE 183 183 6183 1 . GLN 184 184 6183 1 . VAL 185 185 6183 1 . THR 186 186 6183 1 . ASP 187 187 6183 1 . PHE 188 188 6183 1 . GLY 189 189 6183 1 . PHE 190 190 6183 1 . ALA 191 191 6183 1 . LYS 192 192 6183 1 . ARG 193 193 6183 1 . VAL 194 194 6183 1 . LYS 195 195 6183 1 . GLY 196 196 6183 1 . ARG 197 197 6183 1 . THR 198 198 6183 1 . TRP 199 199 6183 1 . THR 200 200 6183 1 . LEU 201 201 6183 1 . CYS 202 202 6183 1 . GLY 203 203 6183 1 . THR 204 204 6183 1 . PRO 205 205 6183 1 . GLU 206 206 6183 1 . TYR 207 207 6183 1 . LEU 208 208 6183 1 . ALA 209 209 6183 1 . PRO 210 210 6183 1 . GLU 211 211 6183 1 . ILE 212 212 6183 1 . ILE 213 213 6183 1 . LEU 214 214 6183 1 . SER 215 215 6183 1 . LYS 216 216 6183 1 . GLY 217 217 6183 1 . TYR 218 218 6183 1 . ASN 219 219 6183 1 . LYS 220 220 6183 1 . ALA 221 221 6183 1 . VAL 222 222 6183 1 . ASP 223 223 6183 1 . TRP 224 224 6183 1 . TRP 225 225 6183 1 . ALA 226 226 6183 1 . LEU 227 227 6183 1 . GLY 228 228 6183 1 . VAL 229 229 6183 1 . LEU 230 230 6183 1 . ILE 231 231 6183 1 . TYR 232 232 6183 1 . GLU 233 233 6183 1 . MET 234 234 6183 1 . ALA 235 235 6183 1 . ALA 236 236 6183 1 . GLY 237 237 6183 1 . TYR 238 238 6183 1 . PRO 239 239 6183 1 . PRO 240 240 6183 1 . PHE 241 241 6183 1 . PHE 242 242 6183 1 . ALA 243 243 6183 1 . ASP 244 244 6183 1 . GLN 245 245 6183 1 . PRO 246 246 6183 1 . ILE 247 247 6183 1 . GLN 248 248 6183 1 . ILE 249 249 6183 1 . TYR 250 250 6183 1 . GLU 251 251 6183 1 . LYS 252 252 6183 1 . ILE 253 253 6183 1 . VAL 254 254 6183 1 . SER 255 255 6183 1 . GLY 256 256 6183 1 . LYS 257 257 6183 1 . VAL 258 258 6183 1 . ARG 259 259 6183 1 . PHE 260 260 6183 1 . PRO 261 261 6183 1 . SER 262 262 6183 1 . HIS 263 263 6183 1 . PHE 264 264 6183 1 . SER 265 265 6183 1 . SER 266 266 6183 1 . ASP 267 267 6183 1 . LEU 268 268 6183 1 . LYS 269 269 6183 1 . ASP 270 270 6183 1 . LEU 271 271 6183 1 . LEU 272 272 6183 1 . ARG 273 273 6183 1 . ASN 274 274 6183 1 . LEU 275 275 6183 1 . LEU 276 276 6183 1 . GLN 277 277 6183 1 . VAL 278 278 6183 1 . ASP 279 279 6183 1 . LEU 280 280 6183 1 . THR 281 281 6183 1 . LYS 282 282 6183 1 . ARG 283 283 6183 1 . PHE 284 284 6183 1 . GLY 285 285 6183 1 . ASN 286 286 6183 1 . LEU 287 287 6183 1 . LYS 288 288 6183 1 . ASN 289 289 6183 1 . GLY 290 290 6183 1 . VAL 291 291 6183 1 . ASN 292 292 6183 1 . ASP 293 293 6183 1 . ILE 294 294 6183 1 . LYS 295 295 6183 1 . ASN 296 296 6183 1 . HIS 297 297 6183 1 . LYS 298 298 6183 1 . TRP 299 299 6183 1 . PHE 300 300 6183 1 . ALA 301 301 6183 1 . THR 302 302 6183 1 . THR 303 303 6183 1 . ASP 304 304 6183 1 . TRP 305 305 6183 1 . ILE 306 306 6183 1 . ALA 307 307 6183 1 . ILE 308 308 6183 1 . TYR 309 309 6183 1 . GLN 310 310 6183 1 . ARG 311 311 6183 1 . LYS 312 312 6183 1 . VAL 313 313 6183 1 . GLU 314 314 6183 1 . ALA 315 315 6183 1 . PRO 316 316 6183 1 . PHE 317 317 6183 1 . ILE 318 318 6183 1 . PRO 319 319 6183 1 . LYS 320 320 6183 1 . PHE 321 321 6183 1 . LYS 322 322 6183 1 . GLY 323 323 6183 1 . PRO 324 324 6183 1 . GLY 325 325 6183 1 . ASP 326 326 6183 1 . THR 327 327 6183 1 . SER 328 328 6183 1 . ASN 329 329 6183 1 . PHE 330 330 6183 1 . ASP 331 331 6183 1 . ASP 332 332 6183 1 . TYR 333 333 6183 1 . GLU 334 334 6183 1 . GLU 335 335 6183 1 . GLU 336 336 6183 1 . GLU 337 337 6183 1 . ILE 338 338 6183 1 . ARG 339 339 6183 1 . VAL 340 340 6183 1 . SER 341 341 6183 1 . ILE 342 342 6183 1 . ASN 343 343 6183 1 . GLU 344 344 6183 1 . LYS 345 345 6183 1 . CYS 346 346 6183 1 . GLY 347 347 6183 1 . LYS 348 348 6183 1 . GLU 349 349 6183 1 . PHE 350 350 6183 1 . THR 351 351 6183 1 . GLU 352 352 6183 1 . PHE 353 353 6183 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 6183 _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 $cAPK_PKA . 10029 . . 'Cricetulus griseus' 'Chinese hamster' . . Eukaryota Metazoa Cricetulus griseus . . . . . . . . . . . . . . . . . . . . . 6183 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 6183 _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 $cAPK_PKA . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6183 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6183 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'protein kinase catalytic domain' '[U-100% 13C; U-100% 15N; U-100% 2H]' . . 1 $cAPK_PKA . . . 0.4 0.6 mM . . . . 6183 1 2 NaCl . . . . . . . 300 . . mM . . . . 6183 1 3 Hepes . . . . . . . 50 . . mM . . . . 6183 1 4 Dithiotheithrol . . . . . . . 5 . . mM . . . . 6183 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6183 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 pH 6183 1 temperature 298 1 K 6183 1 'ionic strength' 0.3 . M 6183 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6183 _Software.ID 1 _Software.Name XEASY _Software.Version 1.3.14 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6183 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 6183 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 6183 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6183 _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 Bruker DRX . 800 . . . 6183 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 6183 _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 TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6183 1 2 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6183 1 3 HN(CA)CO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6183 1 4 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6183 1 5 HN(CO)CACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6183 1 6 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6183 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6183 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6183 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6183 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6183 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 6183 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6183 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 3 3 MET C C 13 176.459 0.5 . 1 . . . . -1 . . . 6183 1 2 . 1 1 4 4 GLY H H 1 8.246 0.01 . 1 . . . . 1 . . . 6183 1 3 . 1 1 4 4 GLY N N 15 109.984 0.2 . 1 . . . . 1 . . . 6183 1 4 . 1 1 4 4 GLY CA C 13 44.877 0.5 . 1 . . . . 1 . . . 6183 1 5 . 1 1 4 4 GLY C C 13 173.712 0.5 . 1 . . . . 1 . . . 6183 1 6 . 1 1 5 5 ASN H H 1 8.166 0.01 . 1 . . . . 2 . . . 6183 1 7 . 1 1 5 5 ASN N N 15 118.96 0.2 . 1 . . . . 2 . . . 6183 1 8 . 1 1 5 5 ASN CA C 13 51.91 0.5 . 1 . . . . 2 . . . 6183 1 9 . 1 1 5 5 ASN C C 13 175.21 0.5 . 1 . . . . 2 . . . 6183 1 10 . 1 1 6 6 ALA H H 1 8.162 0.01 . 1 . . . . 3 . . . 6183 1 11 . 1 1 6 6 ALA N N 15 124.514 0.2 . 1 . . . . 3 . . . 6183 1 12 . 1 1 6 6 ALA CA C 13 52.784 0.5 . 1 . . . . 3 . . . 6183 1 13 . 1 1 6 6 ALA C C 13 177.643 0.5 . 1 . . . . 3 . . . 6183 1 14 . 1 1 6 6 ALA CB C 13 18.161 0.5 . 1 . . . . 3 . . . 6183 1 15 . 1 1 7 7 ALA H H 1 7.872 0.01 . 1 . . . . 4 . . . 6183 1 16 . 1 1 7 7 ALA N N 15 122.396 0.2 . 1 . . . . 4 . . . 6183 1 17 . 1 1 7 7 ALA CA C 13 52.079 0.5 . 1 . . . . 4 . . . 6183 1 18 . 1 1 7 7 ALA C C 13 177.424 0.5 . 1 . . . . 4 . . . 6183 1 19 . 1 1 7 7 ALA CB C 13 18.086 0.5 . 1 . . . . 4 . . . 6183 1 20 . 1 1 8 8 ALA H H 1 7.921 0.01 . 1 . . . . 5 . . . 6183 1 21 . 1 1 8 8 ALA N N 15 122.821 0.2 . 1 . . . . 5 . . . 6183 1 22 . 1 1 8 8 ALA CA C 13 51.923 0.5 . 1 . . . . 5 . . . 6183 1 23 . 1 1 8 8 ALA C C 13 177.643 0.5 . 1 . . . . 5 . . . 6183 1 24 . 1 1 8 8 ALA CB C 13 18.236 0.5 . 1 . . . . 5 . . . 6183 1 25 . 1 1 9 9 ALA H H 1 8.003 0.01 . 1 . . . . 6 . . . 6183 1 26 . 1 1 9 9 ALA N N 15 122.359 0.2 . 1 . . . . 6 . . . 6183 1 27 . 1 1 9 9 ALA CA C 13 52.392 0.5 . 1 . . . . 6 . . . 6183 1 28 . 1 1 9 9 ALA C C 13 177.599 0.5 . 1 . . . . 6 . . . 6183 1 29 . 1 1 9 9 ALA CB C 13 18.086 0.5 . 1 . . . . 6 . . . 6183 1 30 . 1 1 10 10 LYS H H 1 8.016 0.01 . 1 . . . . 7 . . . 6183 1 31 . 1 1 10 10 LYS N N 15 120.715 0.2 . 1 . . . . 7 . . . 6183 1 32 . 1 1 10 10 LYS CA C 13 55.603 0.5 . 1 . . . . 7 . . . 6183 1 33 . 1 1 10 10 LYS C C 13 176.394 0.5 . 1 . . . . 7 . . . 6183 1 34 . 1 1 10 10 LYS CB C 13 32.009 0.5 . 1 . . . . 7 . . . 6183 1 35 . 1 1 11 11 LYS H H 1 8.268 0.01 . 1 . . . . 8 . . . 6183 1 36 . 1 1 11 11 LYS N N 15 123.286 0.2 . 1 . . . . 8 . . . 6183 1 37 . 1 1 11 11 LYS CA C 13 55.446 0.5 . 1 . . . . 8 . . . 6183 1 38 . 1 1 11 11 LYS C C 13 176.985 0.5 . 1 . . . . 8 . . . 6183 1 39 . 1 1 11 11 LYS CB C 13 32.009 0.5 . 1 . . . . 8 . . . 6183 1 40 . 1 1 12 12 GLY H H 1 8.307 0.01 . 1 . . . . 9 . . . 6183 1 41 . 1 1 12 12 GLY N N 15 110.411 0.2 . 1 . . . . 9 . . . 6183 1 42 . 1 1 12 12 GLY CA C 13 44.954 0.5 . 1 . . . . 9 . . . 6183 1 43 . 1 1 12 12 GLY C C 13 174.312 0.5 . 1 . . . . 9 . . . 6183 1 44 . 1 1 13 13 SER H H 1 8.726 0.01 . 1 . . . . 10 . . . 6183 1 45 . 1 1 13 13 SER N N 15 117.423 0.2 . 1 . . . . 10 . . . 6183 1 46 . 1 1 13 13 SER CA C 13 57.482 0.5 . 1 . . . . 10 . . . 6183 1 47 . 1 1 13 13 SER C C 13 174.859 0.5 . 1 . . . . 10 . . . 6183 1 48 . 1 1 13 13 SER CB C 13 65.17 0.5 . 1 . . . . 10 . . . 6183 1 49 . 1 1 14 14 GLU H H 1 8.519 0.01 . 1 . . . . 11 . . . 6183 1 50 . 1 1 14 14 GLU N N 15 122.833 0.2 . 1 . . . . 11 . . . 6183 1 51 . 1 1 14 14 GLU CA C 13 56.934 0.5 . 1 . . . . 11 . . . 6183 1 52 . 1 1 14 14 GLU C C 13 176.744 0.5 . 1 . . . . 11 . . . 6183 1 53 . 1 1 14 14 GLU CB C 13 29.015 0.5 . 1 . . . . 11 . . . 6183 1 54 . 1 1 15 15 GLN H H 1 8.218 0.01 . 1 . . . . 12 . . . 6183 1 55 . 1 1 15 15 GLN N N 15 120.494 0.2 . 1 . . . . 12 . . . 6183 1 56 . 1 1 15 15 GLN CA C 13 56.307 0.5 . 1 . . . . 12 . . . 6183 1 57 . 1 1 15 15 GLN C C 13 176.459 0.5 . 1 . . . . 12 . . . 6183 1 58 . 1 1 15 15 GLN CB C 13 28.79 0.5 . 1 . . . . 12 . . . 6183 1 59 . 1 1 16 16 GLU H H 1 8.254 0.01 . 1 . . . . 13 . . . 6183 1 60 . 1 1 16 16 GLU N N 15 122.132 0.2 . 1 . . . . 13 . . . 6183 1 61 . 1 1 16 16 GLU CA C 13 56.542 0.5 . 1 . . . . 13 . . . 6183 1 62 . 1 1 16 16 GLU C C 13 176.76 0.5 . 1 . . . . 13 . . . 6183 1 63 . 1 1 16 16 GLU CB C 13 29.239 0.5 . 1 . . . . 13 . . . 6183 1 64 . 1 1 17 17 SER H H 1 8.16 0.01 . 1 . . . . 14 . . . 6183 1 65 . 1 1 17 17 SER N N 15 116.791 0.2 . 1 . . . . 14 . . . 6183 1 66 . 1 1 17 17 SER CA C 13 58.108 0.5 . 1 . . . . 14 . . . 6183 1 67 . 1 1 17 17 SER C C 13 175.521 0.5 . 1 . . . . 14 . . . 6183 1 68 . 1 1 17 17 SER CB C 13 63.149 0.5 . 1 . . . . 14 . . . 6183 1 69 . 1 1 18 18 VAL H H 1 8.036 0.01 . 1 . . . . 15 . . . 6183 1 70 . 1 1 18 18 VAL N N 15 123.033 0.2 . 1 . . . . 15 . . . 6183 1 71 . 1 1 18 18 VAL CA C 13 64.842 0.5 . 1 . . . . 15 . . . 6183 1 72 . 1 1 18 18 VAL C C 13 177.065 0.5 . 1 . . . . 15 . . . 6183 1 73 . 1 1 18 18 VAL CB C 13 30.662 0.5 . 1 . . . . 15 . . . 6183 1 74 . 1 1 19 19 LYS H H 1 7.857 0.01 . 1 . . . . 16 . . . 6183 1 75 . 1 1 19 19 LYS N N 15 120.209 0.2 . 1 . . . . 16 . . . 6183 1 76 . 1 1 19 19 LYS CA C 13 58.656 0.5 . 1 . . . . 16 . . . 6183 1 77 . 1 1 19 19 LYS C C 13 178.441 0.5 . 1 . . . . 16 . . . 6183 1 78 . 1 1 19 19 LYS CB C 13 31.26 0.5 . 1 . . . . 16 . . . 6183 1 79 . 1 1 20 20 GLU H H 1 7.88 0.01 . 1 . . . . 17 . . . 6183 1 80 . 1 1 20 20 GLU N N 15 119.8 0.2 . 1 . . . . 17 . . . 6183 1 81 . 1 1 20 20 GLU CA C 13 58.634 0.5 . 1 . . . . 17 . . . 6183 1 82 . 1 1 20 20 GLU C C 13 176.882 0.5 . 1 . . . . 17 . . . 6183 1 83 . 1 1 20 20 GLU CB C 13 28.715 0.5 . 1 . . . . 17 . . . 6183 1 84 . 1 1 21 21 PHE H H 1 7.045 0.01 . 1 . . . . 18 . . . 6183 1 85 . 1 1 21 21 PHE N N 15 119.872 0.2 . 1 . . . . 18 . . . 6183 1 86 . 1 1 21 21 PHE CA C 13 60.047 0.5 . 1 . . . . 18 . . . 6183 1 87 . 1 1 21 21 PHE C C 13 178.334 0.5 . 1 . . . . 18 . . . 6183 1 88 . 1 1 21 21 PHE CB C 13 37.698 0.5 . 1 . . . . 18 . . . 6183 1 89 . 1 1 22 22 LEU H H 1 8.54 0.01 . 1 . . . . 19 . . . 6183 1 90 . 1 1 22 22 LEU N N 15 119.699 0.2 . 1 . . . . 19 . . . 6183 1 91 . 1 1 22 22 LEU CA C 13 56.691 0.5 . 1 . . . . 19 . . . 6183 1 92 . 1 1 22 22 LEU C C 13 179.442 0.5 . 1 . . . . 19 . . . 6183 1 93 . 1 1 22 22 LEU CB C 13 39.944 0.5 . 1 . . . . 19 . . . 6183 1 94 . 1 1 23 23 ALA H H 1 7.859 0.01 . 1 . . . . 20 . . . 6183 1 95 . 1 1 23 23 ALA N N 15 123.304 0.2 . 1 . . . . 20 . . . 6183 1 96 . 1 1 23 23 ALA CA C 13 54.863 0.5 . 1 . . . . 20 . . . 6183 1 97 . 1 1 23 23 ALA C C 13 180.704 0.5 . 1 . . . . 20 . . . 6183 1 98 . 1 1 23 23 ALA CB C 13 16.963 0.5 . 1 . . . . 20 . . . 6183 1 99 . 1 1 24 24 LYS H H 1 7.681 0.01 . 1 . . . . 21 . . . 6183 1 100 . 1 1 24 24 LYS N N 15 119.187 0.2 . 1 . . . . 21 . . . 6183 1 101 . 1 1 24 24 LYS CA C 13 57.862 0.5 . 1 . . . . 21 . . . 6183 1 102 . 1 1 24 24 LYS C C 13 178.557 0.5 . 1 . . . . 21 . . . 6183 1 103 . 1 1 24 24 LYS CB C 13 31.036 0.5 . 1 . . . . 21 . . . 6183 1 104 . 1 1 25 25 ALA H H 1 8.112 0.01 . 1 . . . . 22 . . . 6183 1 105 . 1 1 25 25 ALA N N 15 121.868 0.2 . 1 . . . . 22 . . . 6183 1 106 . 1 1 25 25 ALA CA C 13 54.141 0.5 . 1 . . . . 22 . . . 6183 1 107 . 1 1 25 25 ALA C C 13 181.252 0.5 . 1 . . . . 22 . . . 6183 1 108 . 1 1 25 25 ALA CB C 13 17.337 0.5 . 1 . . . . 22 . . . 6183 1 109 . 1 1 26 26 LYS H H 1 8.072 0.01 . 1 . . . . 23 . . . 6183 1 110 . 1 1 26 26 LYS N N 15 120.762 0.2 . 1 . . . . 23 . . . 6183 1 111 . 1 1 26 26 LYS CA C 13 58.891 0.5 . 1 . . . . 23 . . . 6183 1 112 . 1 1 26 26 LYS C C 13 177.456 0.5 . 1 . . . . 23 . . . 6183 1 113 . 1 1 26 26 LYS CB C 13 30.662 0.5 . 1 . . . . 23 . . . 6183 1 114 . 1 1 27 27 GLU H H 1 7.505 0.01 . 1 . . . . 24 . . . 6183 1 115 . 1 1 27 27 GLU N N 15 118.616 0.2 . 1 . . . . 24 . . . 6183 1 116 . 1 1 27 27 GLU CA C 13 59.111 0.5 . 1 . . . . 24 . . . 6183 1 117 . 1 1 27 27 GLU C C 13 179.523 0.5 . 1 . . . . 24 . . . 6183 1 118 . 1 1 27 27 GLU CB C 13 28.491 0.5 . 1 . . . . 24 . . . 6183 1 119 . 1 1 28 28 GLU H H 1 7.877 0.01 . 1 . . . . 25 . . . 6183 1 120 . 1 1 28 28 GLU N N 15 118.149 0.2 . 1 . . . . 25 . . . 6183 1 121 . 1 1 28 28 GLU CA C 13 58.875 0.5 . 1 . . . . 25 . . . 6183 1 122 . 1 1 28 28 GLU C C 13 177.27 0.5 . 1 . . . . 25 . . . 6183 1 123 . 1 1 28 28 GLU CB C 13 28.79 0.5 . 1 . . . . 25 . . . 6183 1 124 . 1 1 29 29 PHE H H 1 7.574 0.01 . 1 . . . . 26 . . . 6183 1 125 . 1 1 29 29 PHE N N 15 120.066 0.2 . 1 . . . . 26 . . . 6183 1 126 . 1 1 29 29 PHE CA C 13 60.005 0.5 . 1 . . . . 26 . . . 6183 1 127 . 1 1 29 29 PHE CB C 13 37.623 0.5 . 1 . . . . 26 . . . 6183 1 128 . 1 1 40 40 THR CA C 13 61.581 0.5 . 1 . . . . 37 . . . 6183 1 129 . 1 1 40 40 THR C C 13 173.825 0.5 . 1 . . . . 37 . . . 6183 1 130 . 1 1 40 40 THR CB C 13 69.468 0.5 . 1 . . . . 37 . . . 6183 1 131 . 1 1 41 41 ALA H H 1 7.55 0.01 . 1 . . . . 38 . . . 6183 1 132 . 1 1 41 41 ALA N N 15 119.638 0.2 . 1 . . . . 38 . . . 6183 1 133 . 1 1 41 41 ALA CA C 13 50.591 0.5 . 1 . . . . 38 . . . 6183 1 134 . 1 1 41 41 ALA C C 13 172.25 0.5 . 1 . . . . 38 . . . 6183 1 135 . 1 1 41 41 ALA CB C 13 19.957 0.5 . 1 . . . . 38 . . . 6183 1 136 . 1 1 42 42 GLN H H 1 5.995 0.01 . 1 . . . . 39 . . . 6183 1 137 . 1 1 42 42 GLN N N 15 112.377 0.2 . 1 . . . . 39 . . . 6183 1 138 . 1 1 42 42 GLN CA C 13 52.392 0.5 . 1 . . . . 39 . . . 6183 1 139 . 1 1 42 42 GLN C C 13 175.002 0.5 . 1 . . . . 39 . . . 6183 1 140 . 1 1 42 42 GLN CB C 13 30.287 0.5 . 1 . . . . 39 . . . 6183 1 141 . 1 1 43 43 LEU H H 1 8.486 0.01 . 1 . . . . 40 . . . 6183 1 142 . 1 1 43 43 LEU N N 15 123.392 0.2 . 1 . . . . 40 . . . 6183 1 143 . 1 1 43 43 LEU CA C 13 57.873 0.5 . 1 . . . . 40 . . . 6183 1 144 . 1 1 43 43 LEU C C 13 178.101 0.5 . 1 . . . . 40 . . . 6183 1 145 . 1 1 43 43 LEU CB C 13 40.842 0.5 . 1 . . . . 40 . . . 6183 1 146 . 1 1 44 44 ASP H H 1 7.939 0.01 . 1 . . . . 41 . . . 6183 1 147 . 1 1 44 44 ASP N N 15 112.724 0.2 . 1 . . . . 41 . . . 6183 1 148 . 1 1 44 44 ASP CA C 13 54.428 0.5 . 1 . . . . 41 . . . 6183 1 149 . 1 1 44 44 ASP C C 13 176.389 0.5 . 1 . . . . 41 . . . 6183 1 150 . 1 1 44 44 ASP CB C 13 38.896 0.5 . 1 . . . . 41 . . . 6183 1 151 . 1 1 45 45 HIS H H 1 7.281 0.01 . 1 . . . . 42 . . . 6183 1 152 . 1 1 45 45 HIS N N 15 116.466 0.2 . 1 . . . . 42 . . . 6183 1 153 . 1 1 45 45 HIS CA C 13 54.35 0.5 . 1 . . . . 42 . . . 6183 1 154 . 1 1 45 45 HIS C C 13 174.439 0.5 . 1 . . . . 42 . . . 6183 1 155 . 1 1 45 45 HIS CB C 13 30.362 0.5 . 1 . . . . 42 . . . 6183 1 156 . 1 1 46 46 PHE H H 1 7.717 0.01 . 1 . . . . 43 . . . 6183 1 157 . 1 1 46 46 PHE N N 15 115.311 0.2 . 1 . . . . 43 . . . 6183 1 158 . 1 1 46 46 PHE CA C 13 55.838 0.5 . 1 . . . . 43 . . . 6183 1 159 . 1 1 46 46 PHE C C 13 174.937 0.5 . 1 . . . . 43 . . . 6183 1 160 . 1 1 46 46 PHE CB C 13 41.066 0.5 . 1 . . . . 43 . . . 6183 1 161 . 1 1 47 47 ASP H H 1 9.289 0.01 . 1 . . . . 44 . . . 6183 1 162 . 1 1 47 47 ASP N N 15 123.149 0.2 . 1 . . . . 44 . . . 6183 1 163 . 1 1 47 47 ASP CA C 13 52.894 0.5 . 1 . . . . 44 . . . 6183 1 164 . 1 1 47 47 ASP C C 13 176.152 0.5 . 1 . . . . 44 . . . 6183 1 165 . 1 1 47 47 ASP CB C 13 41.965 0.5 . 1 . . . . 44 . . . 6183 1 166 . 1 1 48 48 ARG H H 1 8.991 0.01 . 1 . . . . 45 . . . 6183 1 167 . 1 1 48 48 ARG N N 15 123.764 0.2 . 1 . . . . 45 . . . 6183 1 168 . 1 1 48 48 ARG CA C 13 56.855 0.5 . 1 . . . . 45 . . . 6183 1 169 . 1 1 48 48 ARG C C 13 175.247 0.5 . 1 . . . . 45 . . . 6183 1 170 . 1 1 48 48 ARG CB C 13 28.865 0.5 . 1 . . . . 45 . . . 6183 1 171 . 1 1 49 49 ILE H H 1 8.626 0.01 . 1 . . . . 46 . . . 6183 1 172 . 1 1 49 49 ILE N N 15 123.863 0.2 . 1 . . . . 46 . . . 6183 1 173 . 1 1 49 49 ILE CA C 13 62.023 0.5 . 1 . . . . 46 . . . 6183 1 174 . 1 1 49 49 ILE C C 13 177.379 0.5 . 1 . . . . 46 . . . 6183 1 175 . 1 1 49 49 ILE CB C 13 37.024 0.5 . 1 . . . . 46 . . . 6183 1 176 . 1 1 50 50 LYS H H 1 8.029 0.01 . 1 . . . . 47 . . . 6183 1 177 . 1 1 50 50 LYS N N 15 117.338 0.2 . 1 . . . . 47 . . . 6183 1 178 . 1 1 50 50 LYS CA C 13 57.35 0.5 . 1 . . . . 47 . . . 6183 1 179 . 1 1 50 50 LYS CB C 13 35.377 0.5 . 1 . . . . 47 . . . 6183 1 180 . 1 1 52 52 LEU C C 13 176.542 0.5 . 1 . . . . 49 . . . 6183 1 181 . 1 1 53 53 GLY H H 1 7.375 0.01 . 1 . . . . 50 . . . 6183 1 182 . 1 1 53 53 GLY N N 15 105.868 0.2 . 1 . . . . 50 . . . 6183 1 183 . 1 1 53 53 GLY CA C 13 44.797 0.5 . 1 . . . . 50 . . . 6183 1 184 . 1 1 53 53 GLY C C 13 171.13 0.5 . 1 . . . . 50 . . . 6183 1 185 . 1 1 54 54 THR H H 1 8.038 0.01 . 1 . . . . 51 . . . 6183 1 186 . 1 1 54 54 THR N N 15 112.202 0.2 . 1 . . . . 51 . . . 6183 1 187 . 1 1 54 54 THR CA C 13 60.066 0.5 . 1 . . . . 51 . . . 6183 1 188 . 1 1 54 54 THR C C 13 173.221 0.5 . 1 . . . . 51 . . . 6183 1 189 . 1 1 54 54 THR CB C 13 70.709 0.5 . 1 . . . . 51 . . . 6183 1 190 . 1 1 55 55 GLY H H 1 7.931 0.01 . 1 . . . . 52 . . . 6183 1 191 . 1 1 55 55 GLY N N 15 110.271 0.2 . 1 . . . . 52 . . . 6183 1 192 . 1 1 55 55 GLY CA C 13 43.779 0.5 . 1 . . . . 52 . . . 6183 1 193 . 1 1 55 55 GLY C C 13 177.27 0.5 . 1 . . . . 52 . . . 6183 1 194 . 1 1 56 56 SER H H 1 8.415 0.01 . 1 . . . . 53 . . . 6183 1 195 . 1 1 56 56 SER N N 15 115.947 0.2 . 1 . . . . 53 . . . 6183 1 196 . 1 1 56 56 SER CA C 13 62.27 0.5 . 1 . . . . 53 . . . 6183 1 197 . 1 1 56 56 SER C C 13 174.641 0.5 . 1 . . . . 53 . . . 6183 1 198 . 1 1 57 57 PHE C C 13 173.911 0.5 . 1 . . . . 54 . . . 6183 1 199 . 1 1 58 58 GLY H H 1 6.766 0.01 . 1 . . . . 55 . . . 6183 1 200 . 1 1 58 58 GLY N N 15 107.254 0.2 . 1 . . . . 55 . . . 6183 1 201 . 1 1 58 58 GLY CA C 13 45.11 0.5 . 1 . . . . 55 . . . 6183 1 202 . 1 1 58 58 GLY C C 13 171.957 0.5 . 1 . . . . 55 . . . 6183 1 203 . 1 1 59 59 ARG H H 1 8.131 0.01 . 1 . . . . 56 . . . 6183 1 204 . 1 1 59 59 ARG N N 15 118.588 0.2 . 1 . . . . 56 . . . 6183 1 205 . 1 1 59 59 ARG CA C 13 54.428 0.5 . 1 . . . . 56 . . . 6183 1 206 . 1 1 59 59 ARG C C 13 173.331 0.5 . 1 . . . . 56 . . . 6183 1 207 . 1 1 59 59 ARG CB C 13 32.832 0.5 . 1 . . . . 56 . . . 6183 1 208 . 1 1 60 60 VAL H H 1 8.339 0.01 . 1 . . . . 57 . . . 6183 1 209 . 1 1 60 60 VAL N N 15 119.731 0.2 . 1 . . . . 57 . . . 6183 1 210 . 1 1 60 60 VAL CA C 13 60.144 0.5 . 1 . . . . 57 . . . 6183 1 211 . 1 1 60 60 VAL C C 13 175.693 0.5 . 1 . . . . 57 . . . 6183 1 212 . 1 1 60 60 VAL CB C 13 32.683 0.5 . 1 . . . . 57 . . . 6183 1 213 . 1 1 61 61 MET H H 1 9.359 0.01 . 1 . . . . 58 . . . 6183 1 214 . 1 1 61 61 MET N N 15 124.91 0.2 . 1 . . . . 58 . . . 6183 1 215 . 1 1 61 61 MET CA C 13 53.723 0.5 . 1 . . . . 58 . . . 6183 1 216 . 1 1 61 61 MET C C 13 174.448 0.5 . 1 . . . . 58 . . . 6183 1 217 . 1 1 61 61 MET CB C 13 35.377 0.5 . 1 . . . . 58 . . . 6183 1 218 . 1 1 62 62 LEU H H 1 9.26 0.01 . 1 . . . . 59 . . . 6183 1 219 . 1 1 62 62 LEU N N 15 125.413 0.2 . 1 . . . . 59 . . . 6183 1 220 . 1 1 62 62 LEU CA C 13 53.88 0.5 . 1 . . . . 59 . . . 6183 1 221 . 1 1 62 62 LEU C C 13 175.5 0.5 . 1 . . . . 59 . . . 6183 1 222 . 1 1 62 62 LEU CB C 13 41.59 0.5 . 1 . . . . 59 . . . 6183 1 223 . 1 1 63 63 VAL H H 1 9.057 0.01 . 1 . . . . 60 . . . 6183 1 224 . 1 1 63 63 VAL N N 15 119.932 0.2 . 1 . . . . 60 . . . 6183 1 225 . 1 1 63 63 VAL CA C 13 57.717 0.5 . 1 . . . . 60 . . . 6183 1 226 . 1 1 63 63 VAL C C 13 173.374 0.5 . 1 . . . . 60 . . . 6183 1 227 . 1 1 63 63 VAL CB C 13 35.228 0.5 . 1 . . . . 60 . . . 6183 1 228 . 1 1 64 64 LYS H H 1 8.931 0.01 . 1 . . . . 61 . . . 6183 1 229 . 1 1 64 64 LYS N N 15 120.178 0.2 . 1 . . . . 61 . . . 6183 1 230 . 1 1 64 64 LYS CA C 13 53.489 0.5 . 1 . . . . 61 . . . 6183 1 231 . 1 1 64 64 LYS C C 13 176.273 0.5 . 1 . . . . 61 . . . 6183 1 232 . 1 1 64 64 LYS CB C 13 35.303 0.5 . 1 . . . . 61 . . . 6183 1 233 . 1 1 65 65 HIS H H 1 9.351 0.01 . 1 . . . . 62 . . . 6183 1 234 . 1 1 65 65 HIS N N 15 129.321 0.2 . 1 . . . . 62 . . . 6183 1 235 . 1 1 65 65 HIS CA C 13 57.404 0.5 . 1 . . . . 62 . . . 6183 1 236 . 1 1 65 65 HIS C C 13 176.874 0.5 . 1 . . . . 62 . . . 6183 1 237 . 1 1 65 65 HIS CB C 13 31.934 0.5 . 1 . . . . 62 . . . 6183 1 238 . 1 1 66 66 LYS H H 1 8.069 0.01 . 1 . . . . 63 . . . 6183 1 239 . 1 1 66 66 LYS N N 15 128.809 0.2 . 1 . . . . 63 . . . 6183 1 240 . 1 1 66 66 LYS CA C 13 59.518 0.5 . 1 . . . . 63 . . . 6183 1 241 . 1 1 66 66 LYS C C 13 178.205 0.5 . 1 . . . . 63 . . . 6183 1 242 . 1 1 66 66 LYS CB C 13 31.71 0.5 . 1 . . . . 63 . . . 6183 1 243 . 1 1 67 67 GLU H H 1 8.364 0.01 . 1 . . . . 64 . . . 6183 1 244 . 1 1 67 67 GLU N N 15 117.158 0.2 . 1 . . . . 64 . . . 6183 1 245 . 1 1 67 67 GLU CA C 13 57.482 0.5 . 1 . . . . 64 . . . 6183 1 246 . 1 1 67 67 GLU C C 13 178.012 0.5 . 1 . . . . 64 . . . 6183 1 247 . 1 1 67 67 GLU CB C 13 29.913 0.5 . 1 . . . . 64 . . . 6183 1 248 . 1 1 68 68 THR H H 1 7.858 0.01 . 1 . . . . 65 . . . 6183 1 249 . 1 1 68 68 THR N N 15 106.619 0.2 . 1 . . . . 65 . . . 6183 1 250 . 1 1 68 68 THR CA C 13 61.553 0.5 . 1 . . . . 65 . . . 6183 1 251 . 1 1 68 68 THR C C 13 176.531 0.5 . 1 . . . . 65 . . . 6183 1 252 . 1 1 68 68 THR CB C 13 70.709 0.5 . 1 . . . . 65 . . . 6183 1 253 . 1 1 69 69 GLY H H 1 8.106 0.01 . 1 . . . . 66 . . . 6183 1 254 . 1 1 69 69 GLY N N 15 109.931 0.2 . 1 . . . . 66 . . . 6183 1 255 . 1 1 69 69 GLY CA C 13 44.876 0.5 . 1 . . . . 66 . . . 6183 1 256 . 1 1 69 69 GLY C C 13 173.331 0.5 . 1 . . . . 66 . . . 6183 1 257 . 1 1 70 70 ASN H H 1 7.608 0.01 . 1 . . . . 67 . . . 6183 1 258 . 1 1 70 70 ASN N N 15 117.678 0.2 . 1 . . . . 67 . . . 6183 1 259 . 1 1 70 70 ASN CA C 13 52.94 0.5 . 1 . . . . 67 . . . 6183 1 260 . 1 1 70 70 ASN C C 13 174.276 0.5 . 1 . . . . 67 . . . 6183 1 261 . 1 1 70 70 ASN CB C 13 38.596 0.5 . 1 . . . . 67 . . . 6183 1 262 . 1 1 71 71 HIS H H 1 8.361 0.01 . 1 . . . . 68 . . . 6183 1 263 . 1 1 71 71 HIS N N 15 119.153 0.2 . 1 . . . . 68 . . . 6183 1 264 . 1 1 71 71 HIS CA C 13 56.151 0.5 . 1 . . . . 68 . . . 6183 1 265 . 1 1 71 71 HIS C C 13 174.147 0.5 . 1 . . . . 68 . . . 6183 1 266 . 1 1 71 71 HIS CB C 13 30.287 0.5 . 1 . . . . 68 . . . 6183 1 267 . 1 1 72 72 TYR H H 1 8.823 0.01 . 1 . . . . 69 . . . 6183 1 268 . 1 1 72 72 TYR N N 15 115.907 0.2 . 1 . . . . 69 . . . 6183 1 269 . 1 1 72 72 TYR CA C 13 56.934 0.5 . 1 . . . . 69 . . . 6183 1 270 . 1 1 72 72 TYR C C 13 173.098 0.5 . 1 . . . . 69 . . . 6183 1 271 . 1 1 72 72 TYR CB C 13 43.387 0.5 . 1 . . . . 69 . . . 6183 1 272 . 1 1 73 73 ALA H H 1 8.828 0.01 . 1 . . . . 70 . . . 6183 1 273 . 1 1 73 73 ALA N N 15 123.467 0.2 . 1 . . . . 70 . . . 6183 1 274 . 1 1 73 73 ALA CA C 13 49.965 0.5 . 1 . . . . 70 . . . 6183 1 275 . 1 1 73 73 ALA C C 13 175.055 0.5 . 1 . . . . 70 . . . 6183 1 276 . 1 1 73 73 ALA CB C 13 18.909 0.5 . 1 . . . . 70 . . . 6183 1 277 . 1 1 74 74 MET H H 1 9.643 0.01 . 1 . . . . 71 . . . 6183 1 278 . 1 1 74 74 MET N N 15 124.902 0.2 . 1 . . . . 71 . . . 6183 1 279 . 1 1 74 74 MET CA C 13 53.175 0.5 . 1 . . . . 71 . . . 6183 1 280 . 1 1 74 74 MET C C 13 173.672 0.5 . 1 . . . . 71 . . . 6183 1 281 . 1 1 74 74 MET CB C 13 36.875 0.5 . 1 . . . . 71 . . . 6183 1 282 . 1 1 75 75 LYS H H 1 9.255 0.01 . 1 . . . . 72 . . . 6183 1 283 . 1 1 75 75 LYS N N 15 130.209 0.2 . 1 . . . . 72 . . . 6183 1 284 . 1 1 75 75 LYS CA C 13 55.524 0.5 . 1 . . . . 72 . . . 6183 1 285 . 1 1 75 75 LYS C C 13 174.183 0.5 . 1 . . . . 72 . . . 6183 1 286 . 1 1 75 75 LYS CB C 13 32.608 0.5 . 1 . . . . 72 . . . 6183 1 287 . 1 1 76 76 ILE H H 1 8.672 0.01 . 1 . . . . 73 . . . 6183 1 288 . 1 1 76 76 ILE N N 15 125.914 0.2 . 1 . . . . 73 . . . 6183 1 289 . 1 1 76 76 ILE CA C 13 60.301 0.5 . 1 . . . . 73 . . . 6183 1 290 . 1 1 76 76 ILE C C 13 175.459 0.5 . 1 . . . . 73 . . . 6183 1 291 . 1 1 76 76 ILE CB C 13 38.671 0.5 . 1 . . . . 73 . . . 6183 1 292 . 1 1 77 77 LEU H H 1 8.833 0.01 . 1 . . . . 74 . . . 6183 1 293 . 1 1 77 77 LEU N N 15 126.85 0.2 . 1 . . . . 74 . . . 6183 1 294 . 1 1 77 77 LEU CA C 13 52.94 0.5 . 1 . . . . 74 . . . 6183 1 295 . 1 1 77 77 LEU C C 13 174.587 0.5 . 1 . . . . 74 . . . 6183 1 296 . 1 1 77 77 LEU CB C 13 41.516 0.5 . 1 . . . . 74 . . . 6183 1 297 . 1 1 78 78 ASP H H 1 8.287 0.01 . 1 . . . . 75 . . . 6183 1 298 . 1 1 78 78 ASP N N 15 124.241 0.2 . 1 . . . . 75 . . . 6183 1 299 . 1 1 78 78 ASP CA C 13 52.627 0.5 . 1 . . . . 75 . . . 6183 1 300 . 1 1 78 78 ASP C C 13 176.714 0.5 . 1 . . . . 75 . . . 6183 1 301 . 1 1 78 78 ASP CB C 13 41.74 0.5 . 1 . . . . 75 . . . 6183 1 302 . 1 1 79 79 LYS H H 1 8.022 0.01 . 1 . . . . 76 . . . 6183 1 303 . 1 1 79 79 LYS N N 15 125.739 0.2 . 1 . . . . 76 . . . 6183 1 304 . 1 1 79 79 LYS CA C 13 60.536 0.5 . 1 . . . . 76 . . . 6183 1 305 . 1 1 79 79 LYS C C 13 177.544 0.5 . 1 . . . . 76 . . . 6183 1 306 . 1 1 79 79 LYS CB C 13 33.656 0.5 . 1 . . . . 76 . . . 6183 1 307 . 1 1 80 80 GLN H H 1 7.971 0.01 . 1 . . . . 77 . . . 6183 1 308 . 1 1 80 80 GLN N N 15 113.603 0.2 . 1 . . . . 77 . . . 6183 1 309 . 1 1 80 80 GLN CA C 13 59.048 0.5 . 1 . . . . 77 . . . 6183 1 310 . 1 1 80 80 GLN CB C 13 28.341 0.5 . 1 . . . . 77 . . . 6183 1 311 . 1 1 82 82 VAL C C 13 178.097 0.5 . 1 . . . . 79 . . . 6183 1 312 . 1 1 83 83 VAL H H 1 7.797 0.01 . 1 . . . . 80 . . . 6183 1 313 . 1 1 83 83 VAL N N 15 117.444 0.2 . 1 . . . . 80 . . . 6183 1 314 . 1 1 83 83 VAL CA C 13 66.173 0.5 . 1 . . . . 80 . . . 6183 1 315 . 1 1 83 83 VAL C C 13 180.351 0.5 . 1 . . . . 80 . . . 6183 1 316 . 1 1 83 83 VAL CB C 13 30.811 0.5 . 1 . . . . 80 . . . 6183 1 317 . 1 1 84 84 LYS H H 1 8.149 0.01 . 1 . . . . 81 . . . 6183 1 318 . 1 1 84 84 LYS N N 15 122.877 0.2 . 1 . . . . 81 . . . 6183 1 319 . 1 1 84 84 LYS CA C 13 58.891 0.5 . 1 . . . . 81 . . . 6183 1 320 . 1 1 84 84 LYS C C 13 178.309 0.5 . 1 . . . . 81 . . . 6183 1 321 . 1 1 84 84 LYS CB C 13 31.635 0.5 . 1 . . . . 81 . . . 6183 1 322 . 1 1 85 85 LEU H H 1 7.87 0.01 . 1 . . . . 82 . . . 6183 1 323 . 1 1 85 85 LEU N N 15 116.249 0.2 . 1 . . . . 82 . . . 6183 1 324 . 1 1 85 85 LEU CA C 13 53.958 0.5 . 1 . . . . 82 . . . 6183 1 325 . 1 1 85 85 LEU C C 13 175.863 0.5 . 1 . . . . 82 . . . 6183 1 326 . 1 1 85 85 LEU CB C 13 39.644 0.5 . 1 . . . . 82 . . . 6183 1 327 . 1 1 86 86 LYS H H 1 7.919 0.01 . 1 . . . . 83 . . . 6183 1 328 . 1 1 86 86 LYS N N 15 116.522 0.2 . 1 . . . . 83 . . . 6183 1 329 . 1 1 86 86 LYS CA C 13 56.855 0.5 . 1 . . . . 83 . . . 6183 1 330 . 1 1 86 86 LYS C C 13 177.27 0.5 . 1 . . . . 83 . . . 6183 1 331 . 1 1 86 86 LYS CB C 13 27.293 0.5 . 1 . . . . 83 . . . 6183 1 332 . 1 1 87 87 GLN H H 1 8.017 0.01 . 1 . . . . 84 . . . 6183 1 333 . 1 1 87 87 GLN N N 15 114.472 0.2 . 1 . . . . 84 . . . 6183 1 334 . 1 1 87 87 GLN CA C 13 53.417 0.5 . 1 . . . . 84 . . . 6183 1 335 . 1 1 87 87 GLN C C 13 177.27 0.5 . 1 . . . . 84 . . . 6183 1 336 . 1 1 87 87 GLN CB C 13 27.518 0.5 . 1 . . . . 84 . . . 6183 1 337 . 1 1 88 88 ILE H H 1 8.061 0.01 . 1 . . . . 85 . . . 6183 1 338 . 1 1 88 88 ILE N N 15 123.661 0.2 . 1 . . . . 85 . . . 6183 1 339 . 1 1 88 88 ILE CA C 13 66.292 0.5 . 1 . . . . 85 . . . 6183 1 340 . 1 1 88 88 ILE CB C 13 37.623 0.5 . 1 . . . . 85 . . . 6183 1 341 . 1 1 98 98 LEU C C 13 179.134 0.5 . 1 . . . . 95 . . . 6183 1 342 . 1 1 99 99 GLN H H 1 8.003 0.01 . 1 . . . . 96 . . . 6183 1 343 . 1 1 99 99 GLN N N 15 112.514 0.2 . 1 . . . . 96 . . . 6183 1 344 . 1 1 99 99 GLN CA C 13 56.307 0.5 . 1 . . . . 96 . . . 6183 1 345 . 1 1 99 99 GLN C C 13 175.31 0.5 . 1 . . . . 96 . . . 6183 1 346 . 1 1 99 99 GLN CB C 13 26.021 0.5 . 1 . . . . 96 . . . 6183 1 347 . 1 1 100 100 ALA H H 1 7.622 0.01 . 1 . . . . 97 . . . 6183 1 348 . 1 1 100 100 ALA N N 15 121.981 0.2 . 1 . . . . 97 . . . 6183 1 349 . 1 1 100 100 ALA CA C 13 52.236 0.5 . 1 . . . . 97 . . . 6183 1 350 . 1 1 100 100 ALA C C 13 176.82 0.5 . 1 . . . . 97 . . . 6183 1 351 . 1 1 100 100 ALA CB C 13 20.781 0.5 . 1 . . . . 97 . . . 6183 1 352 . 1 1 101 101 VAL H H 1 7.326 0.01 . 1 . . . . 98 . . . 6183 1 353 . 1 1 101 101 VAL N N 15 109.376 0.2 . 1 . . . . 98 . . . 6183 1 354 . 1 1 101 101 VAL CA C 13 60.222 0.5 . 1 . . . . 98 . . . 6183 1 355 . 1 1 101 101 VAL C C 13 175.97 0.5 . 1 . . . . 98 . . . 6183 1 356 . 1 1 101 101 VAL CB C 13 33.806 0.5 . 1 . . . . 98 . . . 6183 1 357 . 1 1 102 102 ASN H H 1 7.932 0.01 . 1 . . . . 99 . . . 6183 1 358 . 1 1 102 102 ASN N N 15 116.043 0.2 . 1 . . . . 99 . . . 6183 1 359 . 1 1 102 102 ASN CA C 13 54.016 0.5 . 1 . . . . 99 . . . 6183 1 360 . 1 1 102 102 ASN C C 13 172.205 0.5 . 1 . . . . 99 . . . 6183 1 361 . 1 1 102 102 ASN CB C 13 39.869 0.5 . 1 . . . . 99 . . . 6183 1 362 . 1 1 103 103 PHE H H 1 8.507 0.01 . 1 . . . . 100 . . . 6183 1 363 . 1 1 103 103 PHE N N 15 126.143 0.2 . 1 . . . . 100 . . . 6183 1 364 . 1 1 103 103 PHE CA C 13 56.855 0.5 . 1 . . . . 100 . . . 6183 1 365 . 1 1 103 103 PHE CB C 13 42.938 0.5 . 1 . . . . 100 . . . 6183 1 366 . 1 1 105 105 PHE C C 13 173.785 0.5 . 1 . . . . 102 . . . 6183 1 367 . 1 1 106 106 LEU H H 1 7.285 0.01 . 1 . . . . 103 . . . 6183 1 368 . 1 1 106 106 LEU N N 15 117.185 0.2 . 1 . . . . 103 . . . 6183 1 369 . 1 1 106 106 LEU CA C 13 52.788 0.5 . 1 . . . . 103 . . . 6183 1 370 . 1 1 106 106 LEU C C 13 175.828 0.5 . 1 . . . . 103 . . . 6183 1 371 . 1 1 106 106 LEU CB C 13 43.013 0.5 . 1 . . . . 103 . . . 6183 1 372 . 1 1 107 107 VAL H H 1 7.641 0.01 . 1 . . . . 104 . . . 6183 1 373 . 1 1 107 107 VAL N N 15 121.348 0.2 . 1 . . . . 104 . . . 6183 1 374 . 1 1 107 107 VAL CA C 13 62.27 0.5 . 1 . . . . 104 . . . 6183 1 375 . 1 1 107 107 VAL CB C 13 31.111 0.5 . 1 . . . . 104 . . . 6183 1 376 . 1 1 110 110 GLU C C 13 176.161 0.5 . 1 . . . . 107 . . . 6183 1 377 . 1 1 111 111 PHE H H 1 7.732 0.01 . 1 . . . . 108 . . . 6183 1 378 . 1 1 111 111 PHE N N 15 110.755 0.2 . 1 . . . . 108 . . . 6183 1 379 . 1 1 111 111 PHE CA C 13 55.133 0.5 . 1 . . . . 108 . . . 6183 1 380 . 1 1 111 111 PHE C C 13 173.949 0.5 . 1 . . . . 108 . . . 6183 1 381 . 1 1 111 111 PHE CB C 13 43.162 0.5 . 1 . . . . 108 . . . 6183 1 382 . 1 1 112 112 SER H H 1 8.203 0.01 . 1 . . . . 109 . . . 6183 1 383 . 1 1 112 112 SER N N 15 113.459 0.2 . 1 . . . . 109 . . . 6183 1 384 . 1 1 112 112 SER CA C 13 58.108 0.5 . 1 . . . . 109 . . . 6183 1 385 . 1 1 112 112 SER C C 13 171.609 0.5 . 1 . . . . 109 . . . 6183 1 386 . 1 1 112 112 SER CB C 13 65.544 0.5 . 1 . . . . 109 . . . 6183 1 387 . 1 1 113 113 PHE H H 1 8.424 0.01 . 1 . . . . 110 . . . 6183 1 388 . 1 1 113 113 PHE N N 15 114.88 0.2 . 1 . . . . 110 . . . 6183 1 389 . 1 1 113 113 PHE CA C 13 56.386 0.5 . 1 . . . . 110 . . . 6183 1 390 . 1 1 113 113 PHE C C 13 172.077 0.5 . 1 . . . . 110 . . . 6183 1 391 . 1 1 113 113 PHE CB C 13 38.372 0.5 . 1 . . . . 110 . . . 6183 1 392 . 1 1 114 114 LYS H H 1 8.858 0.01 . 1 . . . . 111 . . . 6183 1 393 . 1 1 114 114 LYS N N 15 115.317 0.2 . 1 . . . . 111 . . . 6183 1 394 . 1 1 114 114 LYS CA C 13 54.115 0.5 . 1 . . . . 111 . . . 6183 1 395 . 1 1 114 114 LYS C C 13 174.119 0.5 . 1 . . . . 111 . . . 6183 1 396 . 1 1 114 114 LYS CB C 13 36.425 0.5 . 1 . . . . 111 . . . 6183 1 397 . 1 1 115 115 ASP H H 1 8.97 0.01 . 1 . . . . 112 . . . 6183 1 398 . 1 1 115 115 ASP N N 15 123.075 0.2 . 1 . . . . 112 . . . 6183 1 399 . 1 1 115 115 ASP CA C 13 52.079 0.5 . 1 . . . . 112 . . . 6183 1 400 . 1 1 115 115 ASP C C 13 176.523 0.5 . 1 . . . . 112 . . . 6183 1 401 . 1 1 115 115 ASP CB C 13 42.713 0.5 . 1 . . . . 112 . . . 6183 1 402 . 1 1 116 116 ASN H H 1 8.281 0.01 . 1 . . . . 113 . . . 6183 1 403 . 1 1 116 116 ASN N N 15 114.098 0.2 . 1 . . . . 113 . . . 6183 1 404 . 1 1 116 116 ASN CA C 13 56.112 0.5 . 1 . . . . 113 . . . 6183 1 405 . 1 1 116 116 ASN CB C 13 37.099 0.5 . 1 . . . . 113 . . . 6183 1 406 . 1 1 125 125 TYR C C 13 174.295 0.5 . 1 . . . . 122 . . . 6183 1 407 . 1 1 126 126 VAL H H 1 8.055 0.01 . 1 . . . . 123 . . . 6183 1 408 . 1 1 126 126 VAL N N 15 131.68 0.2 . 1 . . . . 123 . . . 6183 1 409 . 1 1 126 126 VAL CA C 13 62.08 0.5 . 1 . . . . 123 . . . 6183 1 410 . 1 1 126 126 VAL C C 13 174.21 0.5 . 1 . . . . 123 . . . 6183 1 411 . 1 1 126 126 VAL CB C 13 37.18 0.5 . 1 . . . . 123 . . . 6183 1 412 . 1 1 131 131 MET CA C 13 60.23 0.5 . 1 . . . . 128 . . . 6183 1 413 . 1 1 131 131 MET C C 13 177.807 0.5 . 1 . . . . 128 . . . 6183 1 414 . 1 1 132 132 PHE H H 1 6.751 0.01 . 1 . . . . 129 . . . 6183 1 415 . 1 1 132 132 PHE N N 15 110.177 0.2 . 1 . . . . 129 . . . 6183 1 416 . 1 1 132 132 PHE CA C 13 56.708 0.5 . 1 . . . . 129 . . . 6183 1 417 . 1 1 132 132 PHE C C 13 175.737 0.5 . 1 . . . . 129 . . . 6183 1 418 . 1 1 132 132 PHE CB C 13 37.923 0.5 . 1 . . . . 129 . . . 6183 1 419 . 1 1 133 133 SER H H 1 7.296 0.01 . 1 . . . . 130 . . . 6183 1 420 . 1 1 133 133 SER N N 15 119.363 0.2 . 1 . . . . 130 . . . 6183 1 421 . 1 1 133 133 SER CA C 13 66.408 0.5 . 1 . . . . 130 . . . 6183 1 422 . 1 1 133 133 SER C C 13 174.642 0.5 . 1 . . . . 130 . . . 6183 1 423 . 1 1 133 133 SER CB C 13 68.538 0.5 . 1 . . . . 130 . . . 6183 1 424 . 1 1 134 134 HIS H H 1 8.6 0.01 . 1 . . . . 131 . . . 6183 1 425 . 1 1 134 134 HIS N N 15 116.01 0.2 . 1 . . . . 131 . . . 6183 1 426 . 1 1 134 134 HIS CA C 13 56.386 0.5 . 1 . . . . 131 . . . 6183 1 427 . 1 1 134 134 HIS C C 13 176.222 0.5 . 1 . . . . 131 . . . 6183 1 428 . 1 1 134 134 HIS CB C 13 29.239 0.5 . 1 . . . . 131 . . . 6183 1 429 . 1 1 135 135 LEU H H 1 7.599 0.01 . 1 . . . . 132 . . . 6183 1 430 . 1 1 135 135 LEU N N 15 125.09 0.2 . 1 . . . . 132 . . . 6183 1 431 . 1 1 135 135 LEU CA C 13 61.553 0.5 . 1 . . . . 132 . . . 6183 1 432 . 1 1 135 135 LEU CB C 13 39.569 0.5 . 1 . . . . 132 . . . 6183 1 433 . 1 1 152 152 GLN CA C 13 59.03 0.5 . 1 . . . . 149 . . . 6183 1 434 . 1 1 152 152 GLN C C 13 179.24 0.5 . 1 . . . . 149 . . . 6183 1 435 . 1 1 153 153 ILE H H 1 7.411 0.01 . 1 . . . . 150 . . . 6183 1 436 . 1 1 153 153 ILE N N 15 121.429 0.2 . 1 . . . . 150 . . . 6183 1 437 . 1 1 153 153 ILE CA C 13 62.571 0.5 . 1 . . . . 150 . . . 6183 1 438 . 1 1 153 153 ILE C C 13 176.786 0.5 . 1 . . . . 150 . . . 6183 1 439 . 1 1 153 153 ILE CB C 13 34.061 0.5 . 1 . . . . 150 . . . 6183 1 440 . 1 1 154 154 VAL H H 1 8.661 0.01 . 1 . . . . 151 . . . 6183 1 441 . 1 1 154 154 VAL N N 15 120.96 0.2 . 1 . . . . 151 . . . 6183 1 442 . 1 1 154 154 VAL CA C 13 67.462 0.5 . 1 . . . . 151 . . . 6183 1 443 . 1 1 154 154 VAL C C 13 177.838 0.5 . 1 . . . . 151 . . . 6183 1 444 . 1 1 154 154 VAL CB C 13 30.259 0.5 . 1 . . . . 151 . . . 6183 1 445 . 1 1 190 190 PHE C C 13 174.78 0.5 . 1 . . . . 187 . . . 6183 1 446 . 1 1 191 191 ALA H H 1 7.107 0.01 . 1 . . . . 188 . . . 6183 1 447 . 1 1 191 191 ALA N N 15 126.455 0.2 . 1 . . . . 188 . . . 6183 1 448 . 1 1 191 191 ALA CA C 13 52.236 0.5 . 1 . . . . 188 . . . 6183 1 449 . 1 1 191 191 ALA C C 13 176.901 0.5 . 1 . . . . 188 . . . 6183 1 450 . 1 1 191 191 ALA CB C 13 18.984 0.5 . 1 . . . . 188 . . . 6183 1 451 . 1 1 192 192 LYS H H 1 8.169 0.01 . 1 . . . . 189 . . . 6183 1 452 . 1 1 192 192 LYS N N 15 119.553 0.2 . 1 . . . . 189 . . . 6183 1 453 . 1 1 192 192 LYS CA C 13 55.055 0.5 . 1 . . . . 189 . . . 6183 1 454 . 1 1 192 192 LYS C C 13 174.038 0.5 . 1 . . . . 189 . . . 6183 1 455 . 1 1 192 192 LYS CB C 13 36.351 0.5 . 1 . . . . 189 . . . 6183 1 456 . 1 1 193 193 ARG H H 1 8.77 0.01 . 1 . . . . 190 . . . 6183 1 457 . 1 1 193 193 ARG N N 15 127.54 0.2 . 1 . . . . 190 . . . 6183 1 458 . 1 1 193 193 ARG CA C 13 55.055 0.5 . 1 . . . . 190 . . . 6183 1 459 . 1 1 193 193 ARG C C 13 175.035 0.5 . 1 . . . . 190 . . . 6183 1 460 . 1 1 193 193 ARG CB C 13 28.266 0.5 . 1 . . . . 190 . . . 6183 1 461 . 1 1 194 194 VAL H H 1 8.677 0.01 . 1 . . . . 191 . . . 6183 1 462 . 1 1 194 194 VAL N N 15 127.499 0.2 . 1 . . . . 191 . . . 6183 1 463 . 1 1 194 194 VAL CA C 13 60.222 0.5 . 1 . . . . 191 . . . 6183 1 464 . 1 1 194 194 VAL C C 13 173.105 0.5 . 1 . . . . 191 . . . 6183 1 465 . 1 1 194 194 VAL CB C 13 33.656 0.5 . 1 . . . . 191 . . . 6183 1 466 . 1 1 195 195 LYS H H 1 8.356 0.01 . 1 . . . . 192 . . . 6183 1 467 . 1 1 195 195 LYS N N 15 126.487 0.2 . 1 . . . . 192 . . . 6183 1 468 . 1 1 195 195 LYS CA C 13 55.524 0.5 . 1 . . . . 192 . . . 6183 1 469 . 1 1 195 195 LYS C C 13 176.371 0.5 . 1 . . . . 192 . . . 6183 1 470 . 1 1 195 195 LYS CB C 13 31.485 0.5 . 1 . . . . 192 . . . 6183 1 471 . 1 1 196 196 GLY H H 1 7.841 0.01 . 1 . . . . 193 . . . 6183 1 472 . 1 1 196 196 GLY N N 15 110.903 0.2 . 1 . . . . 193 . . . 6183 1 473 . 1 1 196 196 GLY CA C 13 44.954 0.5 . 1 . . . . 193 . . . 6183 1 474 . 1 1 196 196 GLY C C 13 172.214 0.5 . 1 . . . . 193 . . . 6183 1 475 . 1 1 197 197 ARG H H 1 7.823 0.01 . 1 . . . . 194 . . . 6183 1 476 . 1 1 197 197 ARG N N 15 122.818 0.2 . 1 . . . . 194 . . . 6183 1 477 . 1 1 197 197 ARG CA C 13 54.193 0.5 . 1 . . . . 194 . . . 6183 1 478 . 1 1 197 197 ARG C C 13 174.505 0.5 . 1 . . . . 194 . . . 6183 1 479 . 1 1 197 197 ARG CB C 13 32.009 0.5 . 1 . . . . 194 . . . 6183 1 480 . 1 1 198 198 THR H H 1 7.998 0.01 . 1 . . . . 195 . . . 6183 1 481 . 1 1 198 198 THR N N 15 116.071 0.2 . 1 . . . . 195 . . . 6183 1 482 . 1 1 198 198 THR CA C 13 60.849 0.5 . 1 . . . . 195 . . . 6183 1 483 . 1 1 198 198 THR CB C 13 70.11 0.5 . 1 . . . . 195 . . . 6183 1 484 . 1 1 202 202 CYS CA C 13 55.28 0.5 . 1 . . . . 199 . . . 6183 1 485 . 1 1 202 202 CYS C C 13 171.164 0.5 . 1 . . . . 199 . . . 6183 1 486 . 1 1 203 203 GLY H H 1 6.99 0.01 . 1 . . . . 200 . . . 6183 1 487 . 1 1 203 203 GLY N N 15 105.077 0.2 . 1 . . . . 200 . . . 6183 1 488 . 1 1 203 203 GLY CA C 13 43.31 0.5 . 1 . . . . 200 . . . 6183 1 489 . 1 1 203 203 GLY C C 13 173.515 0.5 . 1 . . . . 200 . . . 6183 1 490 . 1 1 204 204 THR H H 1 8.873 0.01 . 1 . . . . 201 . . . 6183 1 491 . 1 1 204 204 THR N N 15 119.473 0.2 . 1 . . . . 201 . . . 6183 1 492 . 1 1 204 204 THR CA C 13 60.614 0.5 . 1 . . . . 201 . . . 6183 1 493 . 1 1 204 204 THR CB C 13 69.661 0.5 . 1 . . . . 201 . . . 6183 1 494 . 1 1 206 206 GLU C C 13 177.609 0.5 . 1 . . . . 203 . . . 6183 1 495 . 1 1 207 207 TYR H H 1 7.98 0.01 . 1 . . . . 204 . . . 6183 1 496 . 1 1 207 207 TYR N N 15 117.108 0.2 . 1 . . . . 204 . . . 6183 1 497 . 1 1 207 207 TYR CA C 13 58.393 0.5 . 1 . . . . 204 . . . 6183 1 498 . 1 1 207 207 TYR C C 13 175.479 0.5 . 1 . . . . 204 . . . 6183 1 499 . 1 1 207 207 TYR CB C 13 39.794 0.5 . 1 . . . . 204 . . . 6183 1 500 . 1 1 208 208 LEU H H 1 7.196 0.01 . 1 . . . . 205 . . . 6183 1 501 . 1 1 208 208 LEU N N 15 119.302 0.2 . 1 . . . . 205 . . . 6183 1 502 . 1 1 208 208 LEU CA C 13 55.052 0.5 . 1 . . . . 205 . . . 6183 1 503 . 1 1 208 208 LEU C C 13 174.797 0.5 . 1 . . . . 205 . . . 6183 1 504 . 1 1 208 208 LEU CB C 13 41.74 0.5 . 1 . . . . 205 . . . 6183 1 505 . 1 1 209 209 ALA H H 1 6.361 0.01 . 1 . . . . 206 . . . 6183 1 506 . 1 1 209 209 ALA N N 15 121.413 0.2 . 1 . . . . 206 . . . 6183 1 507 . 1 1 209 209 ALA CA C 13 47.949 0.5 . 1 . . . . 206 . . . 6183 1 508 . 1 1 209 209 ALA CB C 13 16.739 0.5 . 1 . . . . 206 . . . 6183 1 509 . 1 1 215 215 SER CA C 13 59.12 0.5 . 1 . . . . 212 . . . 6183 1 510 . 1 1 215 215 SER C C 13 177.566 0.5 . 1 . . . . 212 . . . 6183 1 511 . 1 1 215 215 SER CB C 13 61.27 0.5 . 1 . . . . 212 . . . 6183 1 512 . 1 1 216 216 LYS H H 1 7.421 0.01 . 1 . . . . 213 . . . 6183 1 513 . 1 1 216 216 LYS N N 15 116.122 0.2 . 1 . . . . 213 . . . 6183 1 514 . 1 1 216 216 LYS CA C 13 55.104 0.5 . 1 . . . . 213 . . . 6183 1 515 . 1 1 216 216 LYS C C 13 176.955 0.5 . 1 . . . . 213 . . . 6183 1 516 . 1 1 216 216 LYS CB C 13 32.084 0.5 . 1 . . . . 213 . . . 6183 1 517 . 1 1 217 217 GLY H H 1 8.496 0.01 . 1 . . . . 214 . . . 6183 1 518 . 1 1 217 217 GLY N N 15 112.235 0.2 . 1 . . . . 214 . . . 6183 1 519 . 1 1 217 217 GLY CA C 13 42.918 0.5 . 1 . . . . 214 . . . 6183 1 520 . 1 1 217 217 GLY C C 13 172.597 0.5 . 1 . . . . 214 . . . 6183 1 521 . 1 1 218 218 TYR H H 1 8.04 0.01 . 1 . . . . 215 . . . 6183 1 522 . 1 1 218 218 TYR N N 15 117.444 0.2 . 1 . . . . 215 . . . 6183 1 523 . 1 1 218 218 TYR CA C 13 55.588 0.5 . 1 . . . . 215 . . . 6183 1 524 . 1 1 218 218 TYR C C 13 171.796 0.5 . 1 . . . . 215 . . . 6183 1 525 . 1 1 218 218 TYR CB C 13 39.42 0.5 . 1 . . . . 215 . . . 6183 1 526 . 1 1 219 219 ASN H H 1 8.585 0.01 . 1 . . . . 216 . . . 6183 1 527 . 1 1 219 219 ASN N N 15 118.84 0.2 . 1 . . . . 216 . . . 6183 1 528 . 1 1 219 219 ASN CA C 13 50.648 0.5 . 1 . . . . 216 . . . 6183 1 529 . 1 1 219 219 ASN C C 13 175.538 0.5 . 1 . . . . 216 . . . 6183 1 530 . 1 1 219 219 ASN CB C 13 39.794 0.5 . 1 . . . . 216 . . . 6183 1 531 . 1 1 220 220 LYS H H 1 7.664 0.01 . 1 . . . . 217 . . . 6183 1 532 . 1 1 220 220 LYS N N 15 114.796 0.2 . 1 . . . . 217 . . . 6183 1 533 . 1 1 220 220 LYS CA C 13 57.94 0.5 . 1 . . . . 217 . . . 6183 1 534 . 1 1 220 220 LYS C C 13 176.018 0.5 . 1 . . . . 217 . . . 6183 1 535 . 1 1 220 220 LYS CB C 13 29.464 0.5 . 1 . . . . 217 . . . 6183 1 536 . 1 1 221 221 ALA H H 1 8.071 0.01 . 1 . . . . 218 . . . 6183 1 537 . 1 1 221 221 ALA N N 15 120.725 0.2 . 1 . . . . 218 . . . 6183 1 538 . 1 1 221 221 ALA CA C 13 54.302 0.5 . 1 . . . . 218 . . . 6183 1 539 . 1 1 221 221 ALA C C 13 181.176 0.5 . 1 . . . . 218 . . . 6183 1 540 . 1 1 221 221 ALA CB C 13 17.637 0.5 . 1 . . . . 218 . . . 6183 1 541 . 1 1 222 222 VAL H H 1 8.103 0.01 . 1 . . . . 219 . . . 6183 1 542 . 1 1 222 222 VAL N N 15 114.162 0.2 . 1 . . . . 219 . . . 6183 1 543 . 1 1 222 222 VAL CA C 13 64.216 0.5 . 1 . . . . 219 . . . 6183 1 544 . 1 1 222 222 VAL C C 13 177.156 0.5 . 1 . . . . 219 . . . 6183 1 545 . 1 1 222 222 VAL CB C 13 29.689 0.5 . 1 . . . . 219 . . . 6183 1 546 . 1 1 223 223 ASP H H 1 9.638 0.01 . 1 . . . . 220 . . . 6183 1 547 . 1 1 223 223 ASP N N 15 111.818 0.2 . 1 . . . . 220 . . . 6183 1 548 . 1 1 223 223 ASP CA C 13 57.862 0.5 . 1 . . . . 220 . . . 6183 1 549 . 1 1 223 223 ASP CB C 13 42.189 0.5 . 1 . . . . 220 . . . 6183 1 550 . 1 1 225 225 TRP C C 13 176.883 0.5 . 1 . . . . 222 . . . 6183 1 551 . 1 1 226 226 ALA H H 1 9.213 0.01 . 1 . . . . 223 . . . 6183 1 552 . 1 1 226 226 ALA N N 15 120.331 0.2 . 1 . . . . 223 . . . 6183 1 553 . 1 1 226 226 ALA CA C 13 54.943 0.5 . 1 . . . . 223 . . . 6183 1 554 . 1 1 226 226 ALA C C 13 176.241 0.5 . 1 . . . . 223 . . . 6183 1 555 . 1 1 226 226 ALA CB C 13 17.712 0.5 . 1 . . . . 223 . . . 6183 1 556 . 1 1 227 227 LEU H H 1 8.303 0.01 . 1 . . . . 224 . . . 6183 1 557 . 1 1 227 227 LEU N N 15 117.742 0.2 . 1 . . . . 224 . . . 6183 1 558 . 1 1 227 227 LEU CA C 13 57.511 0.5 . 1 . . . . 224 . . . 6183 1 559 . 1 1 227 227 LEU C C 13 177.982 0.5 . 1 . . . . 224 . . . 6183 1 560 . 1 1 227 227 LEU CB C 13 39.794 0.5 . 1 . . . . 224 . . . 6183 1 561 . 1 1 228 228 GLY H H 1 7.885 0.01 . 1 . . . . 225 . . . 6183 1 562 . 1 1 228 228 GLY N N 15 107.431 0.2 . 1 . . . . 225 . . . 6183 1 563 . 1 1 228 228 GLY CA C 13 47.642 0.5 . 1 . . . . 225 . . . 6183 1 564 . 1 1 228 228 GLY C C 13 173.968 0.5 . 1 . . . . 225 . . . 6183 1 565 . 1 1 229 229 VAL H H 1 7.738 0.01 . 1 . . . . 226 . . . 6183 1 566 . 1 1 229 229 VAL N N 15 122.41 0.2 . 1 . . . . 226 . . . 6183 1 567 . 1 1 229 229 VAL CA C 13 66.898 0.5 . 1 . . . . 226 . . . 6183 1 568 . 1 1 229 229 VAL C C 13 177.064 0.5 . 1 . . . . 226 . . . 6183 1 569 . 1 1 229 229 VAL CB C 13 29.988 0.5 . 1 . . . . 226 . . . 6183 1 570 . 1 1 230 230 LEU H H 1 8.608 0.01 . 1 . . . . 227 . . . 6183 1 571 . 1 1 230 230 LEU N N 15 119.284 0.2 . 1 . . . . 227 . . . 6183 1 572 . 1 1 230 230 LEU CA C 13 57.029 0.5 . 1 . . . . 227 . . . 6183 1 573 . 1 1 230 230 LEU CB C 13 41.291 0.5 . 1 . . . . 227 . . . 6183 1 574 . 1 1 240 240 PRO C C 13 178.445 0.5 . 1 . . . . 237 . . . 6183 1 575 . 1 1 241 241 PHE H H 1 7.902 0.01 . 1 . . . . 238 . . . 6183 1 576 . 1 1 241 241 PHE N N 15 119.583 0.2 . 1 . . . . 238 . . . 6183 1 577 . 1 1 241 241 PHE CA C 13 59.987 0.5 . 1 . . . . 238 . . . 6183 1 578 . 1 1 241 241 PHE C C 13 177.131 0.5 . 1 . . . . 238 . . . 6183 1 579 . 1 1 241 241 PHE CB C 13 39.045 0.5 . 1 . . . . 238 . . . 6183 1 580 . 1 1 242 242 PHE H H 1 8.531 0.01 . 1 . . . . 239 . . . 6183 1 581 . 1 1 242 242 PHE N N 15 119.058 0.2 . 1 . . . . 239 . . . 6183 1 582 . 1 1 242 242 PHE CA C 13 57.09 0.5 . 1 . . . . 239 . . . 6183 1 583 . 1 1 242 242 PHE C C 13 172.655 0.5 . 1 . . . . 239 . . . 6183 1 584 . 1 1 242 242 PHE CB C 13 40.168 0.5 . 1 . . . . 239 . . . 6183 1 585 . 1 1 243 243 ALA H H 1 6.882 0.01 . 1 . . . . 240 . . . 6183 1 586 . 1 1 243 243 ALA N N 15 123.17 0.2 . 1 . . . . 240 . . . 6183 1 587 . 1 1 243 243 ALA CA C 13 50.826 0.5 . 1 . . . . 240 . . . 6183 1 588 . 1 1 243 243 ALA C C 13 175.007 0.5 . 1 . . . . 240 . . . 6183 1 589 . 1 1 243 243 ALA CB C 13 21.08 0.5 . 1 . . . . 240 . . . 6183 1 590 . 1 1 244 244 ASP H H 1 8.125 0.01 . 1 . . . . 241 . . . 6183 1 591 . 1 1 244 244 ASP N N 15 116.168 0.2 . 1 . . . . 241 . . . 6183 1 592 . 1 1 244 244 ASP CA C 13 55.888 0.5 . 1 . . . . 241 . . . 6183 1 593 . 1 1 244 244 ASP C C 13 175.791 0.5 . 1 . . . . 241 . . . 6183 1 594 . 1 1 244 244 ASP CB C 13 40.692 0.5 . 1 . . . . 241 . . . 6183 1 595 . 1 1 245 245 GLN H H 1 7.068 0.01 . 1 . . . . 242 . . . 6183 1 596 . 1 1 245 245 GLN N N 15 114.186 0.2 . 1 . . . . 242 . . . 6183 1 597 . 1 1 245 245 GLN CA C 13 51.844 0.5 . 1 . . . . 242 . . . 6183 1 598 . 1 1 245 245 GLN CB C 13 29.838 0.5 . 1 . . . . 242 . . . 6183 1 599 . 1 1 246 246 PRO CA C 13 65.362 0.5 . 1 . . . . 243 . . . 6183 1 600 . 1 1 246 246 PRO C C 13 176.728 0.5 . 1 . . . . 243 . . . 6183 1 601 . 1 1 246 246 PRO CB C 13 30.972 0.5 . 1 . . . . 243 . . . 6183 1 602 . 1 1 247 247 ILE H H 1 7.86 0.01 . 1 . . . . 244 . . . 6183 1 603 . 1 1 247 247 ILE N N 15 112.804 0.2 . 1 . . . . 244 . . . 6183 1 604 . 1 1 247 247 ILE CA C 13 63.119 0.5 . 1 . . . . 244 . . . 6183 1 605 . 1 1 247 247 ILE C C 13 177.478 0.5 . 1 . . . . 244 . . . 6183 1 606 . 1 1 247 247 ILE CB C 13 36.425 0.5 . 1 . . . . 244 . . . 6183 1 607 . 1 1 248 248 GLN H H 1 6.797 0.01 . 1 . . . . 245 . . . 6183 1 608 . 1 1 248 248 GLN N N 15 117.877 0.2 . 1 . . . . 245 . . . 6183 1 609 . 1 1 248 248 GLN CA C 13 57.09 0.5 . 1 . . . . 245 . . . 6183 1 610 . 1 1 248 248 GLN C C 13 179.033 0.5 . 1 . . . . 245 . . . 6183 1 611 . 1 1 248 248 GLN CB C 13 28.566 0.5 . 1 . . . . 245 . . . 6183 1 612 . 1 1 249 249 ILE H H 1 7.201 0.01 . 1 . . . . 246 . . . 6183 1 613 . 1 1 249 249 ILE N N 15 121.57 0.2 . 1 . . . . 246 . . . 6183 1 614 . 1 1 249 249 ILE CA C 13 65.625 0.5 . 1 . . . . 246 . . . 6183 1 615 . 1 1 249 249 ILE CB C 13 36.351 0.5 . 1 . . . . 246 . . . 6183 1 616 . 1 1 250 250 TYR CA C 13 58.07 0.5 . 1 . . . . 247 . . . 6183 1 617 . 1 1 250 250 TYR C C 13 177.722 0.5 . 1 . . . . 247 . . . 6183 1 618 . 1 1 250 250 TYR CB C 13 35.72 0.5 . 1 . . . . 247 . . . 6183 1 619 . 1 1 251 251 GLU H H 1 7.323 0.01 . 1 . . . . 248 . . . 6183 1 620 . 1 1 251 251 GLU N N 15 116.221 0.2 . 1 . . . . 248 . . . 6183 1 621 . 1 1 251 251 GLU CA C 13 58.486 0.5 . 1 . . . . 248 . . . 6183 1 622 . 1 1 251 251 GLU C C 13 179.072 0.5 . 1 . . . . 248 . . . 6183 1 623 . 1 1 251 251 GLU CB C 13 28.715 0.5 . 1 . . . . 248 . . . 6183 1 624 . 1 1 252 252 LYS H H 1 7.26 0.01 . 1 . . . . 249 . . . 6183 1 625 . 1 1 252 252 LYS N N 15 118.647 0.2 . 1 . . . . 249 . . . 6183 1 626 . 1 1 252 252 LYS CA C 13 58.33 0.5 . 1 . . . . 249 . . . 6183 1 627 . 1 1 252 252 LYS C C 13 179.132 0.5 . 1 . . . . 249 . . . 6183 1 628 . 1 1 252 252 LYS CB C 13 32.234 0.5 . 1 . . . . 249 . . . 6183 1 629 . 1 1 253 253 ILE H H 1 7.936 0.01 . 1 . . . . 250 . . . 6183 1 630 . 1 1 253 253 ILE N N 15 122.132 0.2 . 1 . . . . 250 . . . 6183 1 631 . 1 1 253 253 ILE CA C 13 65.087 0.5 . 1 . . . . 250 . . . 6183 1 632 . 1 1 253 253 ILE C C 13 177.431 0.5 . 1 . . . . 250 . . . 6183 1 633 . 1 1 253 253 ILE CB C 13 37.324 0.5 . 1 . . . . 250 . . . 6183 1 634 . 1 1 254 254 VAL H H 1 7.391 0.01 . 1 . . . . 251 . . . 6183 1 635 . 1 1 254 254 VAL N N 15 110.378 0.2 . 1 . . . . 251 . . . 6183 1 636 . 1 1 254 254 VAL CA C 13 63.902 0.5 . 1 . . . . 251 . . . 6183 1 637 . 1 1 254 254 VAL C C 13 177.406 0.5 . 1 . . . . 251 . . . 6183 1 638 . 1 1 254 254 VAL CB C 13 30.287 0.5 . 1 . . . . 251 . . . 6183 1 639 . 1 1 255 255 SER H H 1 7.219 0.01 . 1 . . . . 252 . . . 6183 1 640 . 1 1 255 255 SER N N 15 113.194 0.2 . 1 . . . . 252 . . . 6183 1 641 . 1 1 255 255 SER CA C 13 59.674 0.5 . 1 . . . . 252 . . . 6183 1 642 . 1 1 255 255 SER C C 13 176.277 0.5 . 1 . . . . 252 . . . 6183 1 643 . 1 1 255 255 SER CB C 13 63.373 0.5 . 1 . . . . 252 . . . 6183 1 644 . 1 1 256 256 GLY H H 1 7.597 0.01 . 1 . . . . 253 . . . 6183 1 645 . 1 1 256 256 GLY N N 15 109.185 0.2 . 1 . . . . 253 . . . 6183 1 646 . 1 1 256 256 GLY CA C 13 45.972 0.5 . 1 . . . . 253 . . . 6183 1 647 . 1 1 256 256 GLY C C 13 173.448 0.5 . 1 . . . . 253 . . . 6183 1 648 . 1 1 257 257 LYS H H 1 7.772 0.01 . 1 . . . . 254 . . . 6183 1 649 . 1 1 257 257 LYS N N 15 120.719 0.2 . 1 . . . . 254 . . . 6183 1 650 . 1 1 257 257 LYS CA C 13 55.211 0.5 . 1 . . . . 254 . . . 6183 1 651 . 1 1 257 257 LYS C C 13 175.016 0.5 . 1 . . . . 254 . . . 6183 1 652 . 1 1 257 257 LYS CB C 13 31.41 0.5 . 1 . . . . 254 . . . 6183 1 653 . 1 1 258 258 VAL H H 1 7.88 0.01 . 1 . . . . 255 . . . 6183 1 654 . 1 1 258 258 VAL N N 15 123.158 0.2 . 1 . . . . 255 . . . 6183 1 655 . 1 1 258 258 VAL CA C 13 60.144 0.5 . 1 . . . . 255 . . . 6183 1 656 . 1 1 258 258 VAL C C 13 173.348 0.5 . 1 . . . . 255 . . . 6183 1 657 . 1 1 258 258 VAL CB C 13 33.132 0.5 . 1 . . . . 255 . . . 6183 1 658 . 1 1 259 259 ARG H H 1 7.952 0.01 . 1 . . . . 256 . . . 6183 1 659 . 1 1 259 259 ARG N N 15 125.818 0.2 . 1 . . . . 256 . . . 6183 1 660 . 1 1 259 259 ARG CA C 13 53.332 0.5 . 1 . . . . 256 . . . 6183 1 661 . 1 1 259 259 ARG C C 13 174.991 0.5 . 1 . . . . 256 . . . 6183 1 662 . 1 1 259 259 ARG CB C 13 30.362 0.5 . 1 . . . . 256 . . . 6183 1 663 . 1 1 260 260 PHE H H 1 8.886 0.01 . 1 . . . . 257 . . . 6183 1 664 . 1 1 260 260 PHE N N 15 124.79 0.2 . 1 . . . . 257 . . . 6183 1 665 . 1 1 260 260 PHE CA C 13 54.84 0.5 . 1 . . . . 257 . . . 6183 1 666 . 1 1 260 260 PHE CB C 13 38.372 0.5 . 1 . . . . 257 . . . 6183 1 667 . 1 1 263 263 HIS C C 13 175.638 0.5 . 1 . . . . 260 . . . 6183 1 668 . 1 1 264 264 PHE H H 1 6.828 0.01 . 1 . . . . 261 . . . 6183 1 669 . 1 1 264 264 PHE N N 15 121.306 0.2 . 1 . . . . 261 . . . 6183 1 670 . 1 1 264 264 PHE CA C 13 55.208 0.5 . 1 . . . . 261 . . . 6183 1 671 . 1 1 264 264 PHE C C 13 176.633 0.5 . 1 . . . . 261 . . . 6183 1 672 . 1 1 264 264 PHE CB C 13 36.949 0.5 . 1 . . . . 261 . . . 6183 1 673 . 1 1 265 265 SER H H 1 9.987 0.01 . 1 . . . . 262 . . . 6183 1 674 . 1 1 265 265 SER N N 15 120.955 0.2 . 1 . . . . 262 . . . 6183 1 675 . 1 1 265 265 SER CA C 13 57.912 0.5 . 1 . . . . 262 . . . 6183 1 676 . 1 1 265 265 SER C C 13 175.165 0.5 . 1 . . . . 262 . . . 6183 1 677 . 1 1 265 265 SER CB C 13 63.074 0.5 . 1 . . . . 262 . . . 6183 1 678 . 1 1 266 266 SER H H 1 8.879 0.01 . 1 . . . . 263 . . . 6183 1 679 . 1 1 266 266 SER N N 15 116.916 0.2 . 1 . . . . 263 . . . 6183 1 680 . 1 1 266 266 SER CA C 13 61.53 0.5 . 1 . . . . 263 . . . 6183 1 681 . 1 1 266 266 SER CB C 13 62.999 0.5 . 1 . . . . 263 . . . 6183 1 682 . 1 1 276 276 LEU CA C 13 52.359 0.5 . 1 . . . . 273 . . . 6183 1 683 . 1 1 276 276 LEU C C 13 176.388 0.5 . 1 . . . . 273 . . . 6183 1 684 . 1 1 276 276 LEU CB C 13 37.388 0.5 . 1 . . . . 273 . . . 6183 1 685 . 1 1 277 277 GLN H H 1 6.636 0.01 . 1 . . . . 274 . . . 6183 1 686 . 1 1 277 277 GLN N N 15 118.316 0.2 . 1 . . . . 274 . . . 6183 1 687 . 1 1 277 277 GLN CA C 13 52.784 0.5 . 1 . . . . 274 . . . 6183 1 688 . 1 1 277 277 GLN C C 13 176.956 0.5 . 1 . . . . 274 . . . 6183 1 689 . 1 1 277 277 GLN CB C 13 29.389 0.5 . 1 . . . . 274 . . . 6183 1 690 . 1 1 278 278 VAL H H 1 8.973 0.01 . 1 . . . . 275 . . . 6183 1 691 . 1 1 278 278 VAL N N 15 127.974 0.2 . 1 . . . . 275 . . . 6183 1 692 . 1 1 278 278 VAL CA C 13 65.155 0.5 . 1 . . . . 275 . . . 6183 1 693 . 1 1 278 278 VAL C C 13 175.393 0.5 . 1 . . . . 275 . . . 6183 1 694 . 1 1 278 278 VAL CB C 13 30.886 0.5 . 1 . . . . 275 . . . 6183 1 695 . 1 1 279 279 ASP H H 1 8.432 0.01 . 1 . . . . 276 . . . 6183 1 696 . 1 1 279 279 ASP N N 15 118.626 0.2 . 1 . . . . 276 . . . 6183 1 697 . 1 1 279 279 ASP CA C 13 52.627 0.5 . 1 . . . . 276 . . . 6183 1 698 . 1 1 279 279 ASP C C 13 177.27 0.5 . 1 . . . . 276 . . . 6183 1 699 . 1 1 279 279 ASP CB C 13 39.794 0.5 . 1 . . . . 276 . . . 6183 1 700 . 1 1 280 280 LEU H H 1 8.31 0.01 . 1 . . . . 277 . . . 6183 1 701 . 1 1 280 280 LEU N N 15 128.857 0.2 . 1 . . . . 277 . . . 6183 1 702 . 1 1 280 280 LEU CA C 13 57.873 0.5 . 1 . . . . 277 . . . 6183 1 703 . 1 1 280 280 LEU C C 13 178.566 0.5 . 1 . . . . 277 . . . 6183 1 704 . 1 1 280 280 LEU CB C 13 40.468 0.5 . 1 . . . . 277 . . . 6183 1 705 . 1 1 281 281 THR H H 1 8.432 0.01 . 1 . . . . 278 . . . 6183 1 706 . 1 1 281 281 THR N N 15 109.643 0.2 . 1 . . . . 278 . . . 6183 1 707 . 1 1 281 281 THR CA C 13 62.885 0.5 . 1 . . . . 278 . . . 6183 1 708 . 1 1 281 281 THR C C 13 174.739 0.5 . 1 . . . . 278 . . . 6183 1 709 . 1 1 281 281 THR CB C 13 68.613 0.5 . 1 . . . . 278 . . . 6183 1 710 . 1 1 282 282 LYS H H 1 7.62 0.01 . 1 . . . . 279 . . . 6183 1 711 . 1 1 282 282 LYS N N 15 118.339 0.2 . 1 . . . . 279 . . . 6183 1 712 . 1 1 282 282 LYS CA C 13 55.055 0.5 . 1 . . . . 279 . . . 6183 1 713 . 1 1 282 282 LYS C C 13 175.35 0.5 . 1 . . . . 279 . . . 6183 1 714 . 1 1 282 282 LYS CB C 13 33.806 0.5 . 1 . . . . 279 . . . 6183 1 715 . 1 1 283 283 ARG H H 1 6.929 0.01 . 1 . . . . 280 . . . 6183 1 716 . 1 1 283 283 ARG N N 15 122.371 0.2 . 1 . . . . 280 . . . 6183 1 717 . 1 1 283 283 ARG CA C 13 56.072 0.5 . 1 . . . . 280 . . . 6183 1 718 . 1 1 283 283 ARG C C 13 175.373 0.5 . 1 . . . . 280 . . . 6183 1 719 . 1 1 283 283 ARG CB C 13 30.961 0.5 . 1 . . . . 280 . . . 6183 1 720 . 1 1 284 284 PHE H H 1 8.225 0.01 . 1 . . . . 281 . . . 6183 1 721 . 1 1 284 284 PHE N N 15 127.764 0.2 . 1 . . . . 281 . . . 6183 1 722 . 1 1 284 284 PHE CA C 13 57.795 0.5 . 1 . . . . 281 . . . 6183 1 723 . 1 1 284 284 PHE CB C 13 37.099 0.5 . 1 . . . . 281 . . . 6183 1 724 . 1 1 285 285 GLY CA C 13 44.755 0.5 . 1 . . . . 282 . . . 6183 1 725 . 1 1 285 285 GLY C C 13 175.146 0.5 . 1 . . . . 282 . . . 6183 1 726 . 1 1 286 286 ASN H H 1 8.274 0.01 . 1 . . . . 283 . . . 6183 1 727 . 1 1 286 286 ASN N N 15 118.25 0.2 . 1 . . . . 283 . . . 6183 1 728 . 1 1 286 286 ASN CA C 13 51.493 0.5 . 1 . . . . 283 . . . 6183 1 729 . 1 1 286 286 ASN C C 13 175.162 0.5 . 1 . . . . 283 . . . 6183 1 730 . 1 1 286 286 ASN CB C 13 42.564 0.5 . 1 . . . . 283 . . . 6183 1 731 . 1 1 287 287 LEU H H 1 7.778 0.01 . 1 . . . . 284 . . . 6183 1 732 . 1 1 287 287 LEU N N 15 118.125 0.2 . 1 . . . . 284 . . . 6183 1 733 . 1 1 287 287 LEU CA C 13 52.701 0.5 . 1 . . . . 284 . . . 6183 1 734 . 1 1 287 287 LEU C C 13 178.895 0.5 . 1 . . . . 284 . . . 6183 1 735 . 1 1 287 287 LEU CB C 13 39.869 0.5 . 1 . . . . 284 . . . 6183 1 736 . 1 1 288 288 LYS H H 1 8.086 0.01 . 1 . . . . 285 . . . 6183 1 737 . 1 1 288 288 LYS N N 15 122.414 0.2 . 1 . . . . 285 . . . 6183 1 738 . 1 1 288 288 LYS CA C 13 59.299 0.5 . 1 . . . . 285 . . . 6183 1 739 . 1 1 288 288 LYS C C 13 177.979 0.5 . 1 . . . . 285 . . . 6183 1 740 . 1 1 288 288 LYS CB C 13 31.111 0.5 . 1 . . . . 285 . . . 6183 1 741 . 1 1 289 289 ASN H H 1 8.318 0.01 . 1 . . . . 286 . . . 6183 1 742 . 1 1 289 289 ASN N N 15 113.181 0.2 . 1 . . . . 286 . . . 6183 1 743 . 1 1 289 289 ASN CA C 13 52.623 0.5 . 1 . . . . 286 . . . 6183 1 744 . 1 1 289 289 ASN C C 13 176.031 0.5 . 1 . . . . 286 . . . 6183 1 745 . 1 1 289 289 ASN CB C 13 37.399 0.5 . 1 . . . . 286 . . . 6183 1 746 . 1 1 290 290 GLY H H 1 7.775 0.01 . 1 . . . . 287 . . . 6183 1 747 . 1 1 290 290 GLY N N 15 108.014 0.2 . 1 . . . . 287 . . . 6183 1 748 . 1 1 290 290 GLY CA C 13 45.632 0.5 . 1 . . . . 287 . . . 6183 1 749 . 1 1 293 293 ASP CA C 13 57.32 0.5 . 1 . . . . 290 . . . 6183 1 750 . 1 1 293 293 ASP C C 13 176.403 0.5 . 1 . . . . 290 . . . 6183 1 751 . 1 1 294 294 ILE H H 1 6.377 0.01 . 1 . . . . 291 . . . 6183 1 752 . 1 1 294 294 ILE N N 15 114.776 0.2 . 1 . . . . 291 . . . 6183 1 753 . 1 1 294 294 ILE CA C 13 64.09 0.5 . 1 . . . . 291 . . . 6183 1 754 . 1 1 294 294 ILE C C 13 176.683 0.5 . 1 . . . . 291 . . . 6183 1 755 . 1 1 294 294 ILE CB C 13 37.473 0.5 . 1 . . . . 291 . . . 6183 1 756 . 1 1 295 295 LYS H H 1 7.266 0.01 . 1 . . . . 292 . . . 6183 1 757 . 1 1 295 295 LYS N N 15 113.828 0.2 . 1 . . . . 292 . . . 6183 1 758 . 1 1 295 295 LYS CA C 13 58.828 0.5 . 1 . . . . 292 . . . 6183 1 759 . 1 1 295 295 LYS C C 13 177.591 0.5 . 1 . . . . 292 . . . 6183 1 760 . 1 1 295 295 LYS CB C 13 31.335 0.5 . 1 . . . . 292 . . . 6183 1 761 . 1 1 296 296 ASN H H 1 7.493 0.01 . 1 . . . . 293 . . . 6183 1 762 . 1 1 296 296 ASN N N 15 110.706 0.2 . 1 . . . . 293 . . . 6183 1 763 . 1 1 296 296 ASN CA C 13 52.78 0.5 . 1 . . . . 293 . . . 6183 1 764 . 1 1 296 296 ASN C C 13 174.681 0.5 . 1 . . . . 293 . . . 6183 1 765 . 1 1 296 296 ASN CB C 13 37.848 0.5 . 1 . . . . 293 . . . 6183 1 766 . 1 1 297 297 HIS H H 1 7.662 0.01 . 1 . . . . 294 . . . 6183 1 767 . 1 1 297 297 HIS N N 15 122.921 0.2 . 1 . . . . 294 . . . 6183 1 768 . 1 1 297 297 HIS CA C 13 59.22 0.5 . 1 . . . . 294 . . . 6183 1 769 . 1 1 297 297 HIS C C 13 177.963 0.5 . 1 . . . . 294 . . . 6183 1 770 . 1 1 297 297 HIS CB C 13 31.335 0.5 . 1 . . . . 294 . . . 6183 1 771 . 1 1 298 298 LYS H H 1 8.076 0.01 . 1 . . . . 295 . . . 6183 1 772 . 1 1 298 298 LYS N N 15 130.255 0.2 . 1 . . . . 295 . . . 6183 1 773 . 1 1 298 298 LYS CA C 13 59.299 0.5 . 1 . . . . 295 . . . 6183 1 774 . 1 1 298 298 LYS CB C 13 31.56 0.5 . 1 . . . . 295 . . . 6183 1 775 . 1 1 299 299 TRP CA C 13 62.961 0.5 . 1 . . . . 296 . . . 6183 1 776 . 1 1 299 299 TRP C C 13 178.089 0.5 . 1 . . . . 296 . . . 6183 1 777 . 1 1 300 300 PHE H H 1 8.188 0.01 . 1 . . . . 297 . . . 6183 1 778 . 1 1 300 300 PHE N N 15 112.466 0.2 . 1 . . . . 297 . . . 6183 1 779 . 1 1 300 300 PHE CA C 13 57.751 0.5 . 1 . . . . 297 . . . 6183 1 780 . 1 1 300 300 PHE C C 13 176.716 0.5 . 1 . . . . 297 . . . 6183 1 781 . 1 1 300 300 PHE CB C 13 39.794 0.5 . 1 . . . . 297 . . . 6183 1 782 . 1 1 301 301 ALA H H 1 7.692 0.01 . 1 . . . . 298 . . . 6183 1 783 . 1 1 301 301 ALA N N 15 124.587 0.2 . 1 . . . . 298 . . . 6183 1 784 . 1 1 301 301 ALA CA C 13 55.607 0.5 . 1 . . . . 298 . . . 6183 1 785 . 1 1 301 301 ALA C C 13 179.293 0.5 . 1 . . . . 298 . . . 6183 1 786 . 1 1 301 301 ALA CB C 13 18.236 0.5 . 1 . . . . 298 . . . 6183 1 787 . 1 1 302 302 THR H H 1 8.102 0.01 . 1 . . . . 299 . . . 6183 1 788 . 1 1 302 302 THR N N 15 104.415 0.2 . 1 . . . . 299 . . . 6183 1 789 . 1 1 302 302 THR CA C 13 61.027 0.5 . 1 . . . . 299 . . . 6183 1 790 . 1 1 302 302 THR C C 13 174.886 0.5 . 1 . . . . 299 . . . 6183 1 791 . 1 1 302 302 THR CB C 13 68.463 0.5 . 1 . . . . 299 . . . 6183 1 792 . 1 1 303 303 THR H H 1 7.839 0.01 . 1 . . . . 300 . . . 6183 1 793 . 1 1 303 303 THR N N 15 123.218 0.2 . 1 . . . . 300 . . . 6183 1 794 . 1 1 303 303 THR CA C 13 63.776 0.5 . 1 . . . . 300 . . . 6183 1 795 . 1 1 303 303 THR C C 13 172.623 0.5 . 1 . . . . 300 . . . 6183 1 796 . 1 1 303 303 THR CB C 13 68.089 0.5 . 1 . . . . 300 . . . 6183 1 797 . 1 1 304 304 ASP H H 1 8.4 0.01 . 1 . . . . 301 . . . 6183 1 798 . 1 1 304 304 ASP N N 15 128.643 0.2 . 1 . . . . 301 . . . 6183 1 799 . 1 1 304 304 ASP CA C 13 51.253 0.5 . 1 . . . . 301 . . . 6183 1 800 . 1 1 304 304 ASP C C 13 174.983 0.5 . 1 . . . . 301 . . . 6183 1 801 . 1 1 304 304 ASP CB C 13 39.569 0.5 . 1 . . . . 301 . . . 6183 1 802 . 1 1 305 305 TRP H H 1 7.291 0.01 . 1 . . . . 302 . . . 6183 1 803 . 1 1 305 305 TRP N N 15 124.552 0.2 . 1 . . . . 302 . . . 6183 1 804 . 1 1 305 305 TRP CA C 13 59.63 0.5 . 1 . . . . 302 . . . 6183 1 805 . 1 1 305 305 TRP C C 13 178.329 0.5 . 1 . . . . 302 . . . 6183 1 806 . 1 1 305 305 TRP CB C 13 29.763 0.5 . 1 . . . . 302 . . . 6183 1 807 . 1 1 306 306 ILE H H 1 7.851 0.01 . 1 . . . . 303 . . . 6183 1 808 . 1 1 306 306 ILE N N 15 118.01 0.2 . 1 . . . . 303 . . . 6183 1 809 . 1 1 306 306 ILE CA C 13 63.047 0.5 . 1 . . . . 303 . . . 6183 1 810 . 1 1 306 306 ILE C C 13 177.107 0.5 . 1 . . . . 303 . . . 6183 1 811 . 1 1 306 306 ILE CB C 13 35.677 0.5 . 1 . . . . 303 . . . 6183 1 812 . 1 1 307 307 ALA H H 1 7.419 0.01 . 1 . . . . 304 . . . 6183 1 813 . 1 1 307 307 ALA N N 15 122.739 0.2 . 1 . . . . 304 . . . 6183 1 814 . 1 1 307 307 ALA CA C 13 54.115 0.5 . 1 . . . . 304 . . . 6183 1 815 . 1 1 307 307 ALA C C 13 180.199 0.5 . 1 . . . . 304 . . . 6183 1 816 . 1 1 307 307 ALA CB C 13 17.637 0.5 . 1 . . . . 304 . . . 6183 1 817 . 1 1 308 308 ILE H H 1 7.908 0.01 . 1 . . . . 305 . . . 6183 1 818 . 1 1 308 308 ILE N N 15 117.298 0.2 . 1 . . . . 305 . . . 6183 1 819 . 1 1 308 308 ILE CA C 13 63.207 0.5 . 1 . . . . 305 . . . 6183 1 820 . 1 1 308 308 ILE C C 13 178.418 0.5 . 1 . . . . 305 . . . 6183 1 821 . 1 1 308 308 ILE CB C 13 35.153 0.5 . 1 . . . . 305 . . . 6183 1 822 . 1 1 309 309 TYR H H 1 7.652 0.01 . 1 . . . . 306 . . . 6183 1 823 . 1 1 309 309 TYR N N 15 120.374 0.2 . 1 . . . . 306 . . . 6183 1 824 . 1 1 309 309 TYR CA C 13 61.602 0.5 . 1 . . . . 306 . . . 6183 1 825 . 1 1 309 309 TYR CB C 13 37.698 0.5 . 1 . . . . 306 . . . 6183 1 826 . 1 1 310 310 GLN C C 13 174.441 0.5 . 1 . . . . 307 . . . 6183 1 827 . 1 1 311 311 ARG H H 1 8.066 0.01 . 1 . . . . 308 . . . 6183 1 828 . 1 1 311 311 ARG N N 15 117.444 0.2 . 1 . . . . 308 . . . 6183 1 829 . 1 1 311 311 ARG CA C 13 55.988 0.5 . 1 . . . . 308 . . . 6183 1 830 . 1 1 311 311 ARG C C 13 176.679 0.5 . 1 . . . . 308 . . . 6183 1 831 . 1 1 311 311 ARG CB C 13 25.572 0.5 . 1 . . . . 308 . . . 6183 1 832 . 1 1 312 312 LYS H H 1 8.419 0.01 . 1 . . . . 309 . . . 6183 1 833 . 1 1 312 312 LYS N N 15 113.991 0.2 . 1 . . . . 309 . . . 6183 1 834 . 1 1 312 312 LYS CA C 13 55.442 0.5 . 1 . . . . 309 . . . 6183 1 835 . 1 1 312 312 LYS C C 13 177.164 0.5 . 1 . . . . 309 . . . 6183 1 836 . 1 1 312 312 LYS CB C 13 32.758 0.5 . 1 . . . . 309 . . . 6183 1 837 . 1 1 313 313 VAL H H 1 6.768 0.01 . 1 . . . . 310 . . . 6183 1 838 . 1 1 313 313 VAL N N 15 119.191 0.2 . 1 . . . . 310 . . . 6183 1 839 . 1 1 313 313 VAL CA C 13 61.218 0.5 . 1 . . . . 310 . . . 6183 1 840 . 1 1 313 313 VAL C C 13 176.933 0.5 . 1 . . . . 310 . . . 6183 1 841 . 1 1 313 313 VAL CB C 13 32.383 0.5 . 1 . . . . 310 . . . 6183 1 842 . 1 1 314 314 GLU H H 1 8.696 0.01 . 1 . . . . 311 . . . 6183 1 843 . 1 1 314 314 GLU N N 15 129.878 0.2 . 1 . . . . 311 . . . 6183 1 844 . 1 1 314 314 GLU CA C 13 56.223 0.5 . 1 . . . . 311 . . . 6183 1 845 . 1 1 314 314 GLU C C 13 174.487 0.5 . 1 . . . . 311 . . . 6183 1 846 . 1 1 314 314 GLU CB C 13 28.416 0.5 . 1 . . . . 311 . . . 6183 1 847 . 1 1 315 315 ALA H H 1 8.454 0.01 . 1 . . . . 312 . . . 6183 1 848 . 1 1 315 315 ALA N N 15 129.901 0.2 . 1 . . . . 312 . . . 6183 1 849 . 1 1 315 315 ALA CA C 13 49.354 0.5 . 1 . . . . 312 . . . 6183 1 850 . 1 1 315 315 ALA CB C 13 18.909 0.5 . 1 . . . . 312 . . . 6183 1 851 . 1 1 324 324 PRO CA C 13 63.29 0.5 . 1 . . . . 321 . . . 6183 1 852 . 1 1 324 324 PRO C C 13 177.27 0.5 . 1 . . . . 321 . . . 6183 1 853 . 1 1 324 324 PRO CB C 13 31.209 0.5 . 1 . . . . 321 . . . 6183 1 854 . 1 1 325 325 GLY H H 1 8.385 0.01 . 1 . . . . 322 . . . 6183 1 855 . 1 1 325 325 GLY N N 15 107.924 0.2 . 1 . . . . 322 . . . 6183 1 856 . 1 1 325 325 GLY CA C 13 44.358 0.5 . 1 . . . . 322 . . . 6183 1 857 . 1 1 325 325 GLY C C 13 173.449 0.5 . 1 . . . . 322 . . . 6183 1 858 . 1 1 326 326 ASP H H 1 7.556 0.01 . 1 . . . . 323 . . . 6183 1 859 . 1 1 326 326 ASP N N 15 119.413 0.2 . 1 . . . . 323 . . . 6183 1 860 . 1 1 326 326 ASP CA C 13 54.427 0.5 . 1 . . . . 323 . . . 6183 1 861 . 1 1 326 326 ASP C C 13 176.679 0.5 . 1 . . . . 323 . . . 6183 1 862 . 1 1 326 326 ASP CB C 13 41.216 0.5 . 1 . . . . 323 . . . 6183 1 863 . 1 1 327 327 THR H H 1 7.259 0.01 . 1 . . . . 324 . . . 6183 1 864 . 1 1 327 327 THR N N 15 109.529 0.2 . 1 . . . . 324 . . . 6183 1 865 . 1 1 327 327 THR CA C 13 59.033 0.5 . 1 . . . . 324 . . . 6183 1 866 . 1 1 327 327 THR C C 13 174.372 0.5 . 1 . . . . 324 . . . 6183 1 867 . 1 1 327 327 THR CB C 13 60.978 0.5 . 1 . . . . 324 . . . 6183 1 868 . 1 1 328 328 SER H H 1 7.422 0.01 . 1 . . . . 325 . . . 6183 1 869 . 1 1 328 328 SER N N 15 116.549 0.2 . 1 . . . . 325 . . . 6183 1 870 . 1 1 328 328 SER CA C 13 55.052 0.5 . 1 . . . . 325 . . . 6183 1 871 . 1 1 328 328 SER CB C 13 60.978 0.5 . 1 . . . . 325 . . . 6183 1 872 . 1 1 330 330 PHE C C 13 173.088 0.5 . 1 . . . . 327 . . . 6183 1 873 . 1 1 331 331 ASP H H 1 9.146 0.01 . 1 . . . . 328 . . . 6183 1 874 . 1 1 331 331 ASP N N 15 121.663 0.2 . 1 . . . . 328 . . . 6183 1 875 . 1 1 331 331 ASP CA C 13 52.086 0.5 . 1 . . . . 328 . . . 6183 1 876 . 1 1 331 331 ASP C C 13 172.481 0.5 . 1 . . . . 328 . . . 6183 1 877 . 1 1 331 331 ASP CB C 13 41.89 0.5 . 1 . . . . 328 . . . 6183 1 878 . 1 1 332 332 ASP H H 1 8.401 0.01 . 1 . . . . 329 . . . 6183 1 879 . 1 1 332 332 ASP N N 15 116.232 0.2 . 1 . . . . 329 . . . 6183 1 880 . 1 1 332 332 ASP CA C 13 51.93 0.5 . 1 . . . . 329 . . . 6183 1 881 . 1 1 332 332 ASP C C 13 174.86 0.5 . 1 . . . . 329 . . . 6183 1 882 . 1 1 332 332 ASP CB C 13 41.441 0.5 . 1 . . . . 329 . . . 6183 1 883 . 1 1 333 333 TYR H H 1 8.459 0.01 . 1 . . . . 330 . . . 6183 1 884 . 1 1 333 333 TYR N N 15 116.18 0.2 . 1 . . . . 330 . . . 6183 1 885 . 1 1 333 333 TYR CA C 13 55.524 0.5 . 1 . . . . 330 . . . 6183 1 886 . 1 1 333 333 TYR C C 13 175.973 0.5 . 1 . . . . 330 . . . 6183 1 887 . 1 1 333 333 TYR CB C 13 38.521 0.5 . 1 . . . . 330 . . . 6183 1 888 . 1 1 334 334 GLU H H 1 8.423 0.01 . 1 . . . . 331 . . . 6183 1 889 . 1 1 334 334 GLU N N 15 119.457 0.2 . 1 . . . . 331 . . . 6183 1 890 . 1 1 334 334 GLU CA C 13 54.427 0.5 . 1 . . . . 331 . . . 6183 1 891 . 1 1 334 334 GLU C C 13 173.634 0.5 . 1 . . . . 331 . . . 6183 1 892 . 1 1 334 334 GLU CB C 13 35.677 0.5 . 1 . . . . 331 . . . 6183 1 893 . 1 1 335 335 GLU H H 1 8.785 0.01 . 1 . . . . 332 . . . 6183 1 894 . 1 1 335 335 GLU N N 15 124.103 0.2 . 1 . . . . 332 . . . 6183 1 895 . 1 1 335 335 GLU CA C 13 54.622 0.5 . 1 . . . . 332 . . . 6183 1 896 . 1 1 335 335 GLU CB C 13 35.602 0.5 . 1 . . . . 332 . . . 6183 1 897 . 1 1 336 336 GLU C C 13 176.264 0.5 . 1 . . . . 333 . . . 6183 1 898 . 1 1 337 337 GLU H H 1 8.455 0.01 . 1 . . . . 334 . . . 6183 1 899 . 1 1 337 337 GLU N N 15 123.304 0.2 . 1 . . . . 334 . . . 6183 1 900 . 1 1 337 337 GLU CA C 13 55.746 0.5 . 1 . . . . 334 . . . 6183 1 901 . 1 1 337 337 GLU C C 13 176.371 0.5 . 1 . . . . 334 . . . 6183 1 902 . 1 1 337 337 GLU CB C 13 29.614 0.5 . 1 . . . . 334 . . . 6183 1 903 . 1 1 338 338 ILE H H 1 8.251 0.01 . 1 . . . . 335 . . . 6183 1 904 . 1 1 338 338 ILE N N 15 124.288 0.2 . 1 . . . . 335 . . . 6183 1 905 . 1 1 338 338 ILE CA C 13 60.516 0.5 . 1 . . . . 335 . . . 6183 1 906 . 1 1 338 338 ILE C C 13 174.651 0.5 . 1 . . . . 335 . . . 6183 1 907 . 1 1 338 338 ILE CB C 13 37.099 0.5 . 1 . . . . 335 . . . 6183 1 908 . 1 1 339 339 ARG H H 1 8.464 0.01 . 1 . . . . 336 . . . 6183 1 909 . 1 1 339 339 ARG N N 15 129.055 0.2 . 1 . . . . 336 . . . 6183 1 910 . 1 1 339 339 ARG CA C 13 55.286 0.5 . 1 . . . . 336 . . . 6183 1 911 . 1 1 339 339 ARG C C 13 175.153 0.5 . 1 . . . . 336 . . . 6183 1 912 . 1 1 339 339 ARG CB C 13 29.614 0.5 . 1 . . . . 336 . . . 6183 1 913 . 1 1 340 340 VAL H H 1 8.41 0.01 . 1 . . . . 337 . . . 6183 1 914 . 1 1 340 340 VAL N N 15 128.073 0.2 . 1 . . . . 337 . . . 6183 1 915 . 1 1 340 340 VAL CA C 13 61.218 0.5 . 1 . . . . 337 . . . 6183 1 916 . 1 1 340 340 VAL C C 13 175.535 0.5 . 1 . . . . 337 . . . 6183 1 917 . 1 1 340 340 VAL CB C 13 32.308 0.5 . 1 . . . . 337 . . . 6183 1 918 . 1 1 341 341 SER H H 1 8.384 0.01 . 1 . . . . 338 . . . 6183 1 919 . 1 1 341 341 SER N N 15 120.095 0.2 . 1 . . . . 338 . . . 6183 1 920 . 1 1 341 341 SER CA C 13 55.264 0.5 . 1 . . . . 338 . . . 6183 1 921 . 1 1 341 341 SER C C 13 175.322 0.5 . 1 . . . . 338 . . . 6183 1 922 . 1 1 341 341 SER CB C 13 64.646 0.5 . 1 . . . . 338 . . . 6183 1 923 . 1 1 342 342 ILE H H 1 9.276 0.01 . 1 . . . . 339 . . . 6183 1 924 . 1 1 342 342 ILE N N 15 123.327 0.2 . 1 . . . . 339 . . . 6183 1 925 . 1 1 342 342 ILE CA C 13 61.921 0.5 . 1 . . . . 339 . . . 6183 1 926 . 1 1 342 342 ILE C C 13 175.209 0.5 . 1 . . . . 339 . . . 6183 1 927 . 1 1 342 342 ILE CB C 13 36.949 0.5 . 1 . . . . 339 . . . 6183 1 928 . 1 1 343 343 ASN H H 1 7.955 0.01 . 1 . . . . 340 . . . 6183 1 929 . 1 1 343 343 ASN N N 15 119.531 0.2 . 1 . . . . 340 . . . 6183 1 930 . 1 1 343 343 ASN CA C 13 51.539 0.5 . 1 . . . . 340 . . . 6183 1 931 . 1 1 343 343 ASN C C 13 173.378 0.5 . 1 . . . . 340 . . . 6183 1 932 . 1 1 343 343 ASN CB C 13 41.441 0.5 . 1 . . . . 340 . . . 6183 1 933 . 1 1 344 344 GLU H H 1 8.469 0.01 . 1 . . . . 341 . . . 6183 1 934 . 1 1 344 344 GLU N N 15 121.429 0.2 . 1 . . . . 341 . . . 6183 1 935 . 1 1 344 344 GLU CA C 13 57.549 0.5 . 1 . . . . 341 . . . 6183 1 936 . 1 1 344 344 GLU C C 13 176.078 0.5 . 1 . . . . 341 . . . 6183 1 937 . 1 1 344 344 GLU CB C 13 29.389 0.5 . 1 . . . . 341 . . . 6183 1 938 . 1 1 345 345 LYS H H 1 8.938 0.01 . 1 . . . . 342 . . . 6183 1 939 . 1 1 345 345 LYS N N 15 127.301 0.2 . 1 . . . . 342 . . . 6183 1 940 . 1 1 345 345 LYS CA C 13 52.164 0.5 . 1 . . . . 342 . . . 6183 1 941 . 1 1 345 345 LYS C C 13 176.899 0.5 . 1 . . . . 342 . . . 6183 1 942 . 1 1 345 345 LYS CB C 13 31.335 0.5 . 1 . . . . 342 . . . 6183 1 943 . 1 1 346 346 CYS H H 1 9.392 0.01 . 1 . . . . 343 . . . 6183 1 944 . 1 1 346 346 CYS N N 15 118.548 0.2 . 1 . . . . 343 . . . 6183 1 945 . 1 1 346 346 CYS CA C 13 58.018 0.5 . 1 . . . . 343 . . . 6183 1 946 . 1 1 346 346 CYS C C 13 175.702 0.5 . 1 . . . . 343 . . . 6183 1 947 . 1 1 346 346 CYS CB C 13 26.32 0.5 . 1 . . . . 343 . . . 6183 1 948 . 1 1 347 347 GLY H H 1 8.504 0.01 . 1 . . . . 344 . . . 6183 1 949 . 1 1 347 347 GLY N N 15 105.846 0.2 . 1 . . . . 344 . . . 6183 1 950 . 1 1 347 347 GLY CA C 13 46.622 0.5 . 1 . . . . 344 . . . 6183 1 951 . 1 1 347 347 GLY C C 13 177.486 0.5 . 1 . . . . 344 . . . 6183 1 952 . 1 1 348 348 LYS H H 1 8.274 0.01 . 1 . . . . 345 . . . 6183 1 953 . 1 1 348 348 LYS N N 15 120.757 0.2 . 1 . . . . 345 . . . 6183 1 954 . 1 1 348 348 LYS CA C 13 58.018 0.5 . 1 . . . . 345 . . . 6183 1 955 . 1 1 348 348 LYS C C 13 179.693 0.5 . 1 . . . . 345 . . . 6183 1 956 . 1 1 348 348 LYS CB C 13 30.886 0.5 . 1 . . . . 345 . . . 6183 1 957 . 1 1 349 349 GLU H H 1 9.564 0.01 . 1 . . . . 346 . . . 6183 1 958 . 1 1 349 349 GLU N N 15 120.372 0.2 . 1 . . . . 346 . . . 6183 1 959 . 1 1 349 349 GLU CA C 13 60.047 0.5 . 1 . . . . 346 . . . 6183 1 960 . 1 1 349 349 GLU CB C 13 27.892 0.5 . 1 . . . . 346 . . . 6183 1 961 . 1 1 353 353 PHE C C 13 179.422 0.5 . 1 . . . . 350 . . . 6183 1 stop_ save_