data_19076 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19076 _Entry.Title ; 1H, 13C, and 15N backbone chemical shift assignments of the resting-state yeast cytochrome c peroxidase with the N-terminal His-tag ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-03-06 _Entry.Accession_date 2013-03-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Alexander Volkov . N. . 19076 2 Nico 'van Nuland' . AJ. . 19076 3 Sophie Vanwetswinkel . . . 19076 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19076 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 515 19076 '1H chemical shifts' 195 19076 '15N chemical shifts' 195 19076 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 2 . . 2014-07-29 2013-03-06 update author 'update chemical shifts' 19076 1 . . 2013-09-10 2013-03-06 original author 'original release' 19076 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19075 '1H, 13C, and 15N backbone chemical shift assignments of the resting-state yeast cytochrome c peroxidase with the N-terminal His-tag' 19076 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 19076 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23832496 _Citation.Full_citation . _Citation.Title 'Paramagnetic properties of the low- and high-spin states of yeast cytochrome c peroxidase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 57 _Citation.Journal_issue 1 _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 21 _Citation.Page_last 26 _Citation.Year 2013 _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 Sophie Vanwetswinkel . . . 19076 1 2 Nico 'van Nuland' . A.J. . 19076 1 3 Alexander Volkov . N. . 19076 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19076 _Assembly.ID 1 _Assembly.Name CcP _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 CcP 1 $cytochrome_c_peroxidase A . yes native no no . . . 19076 1 2 cofactor 2 $entity_HEB B . no native no no . . . 19076 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cytochrome_c_peroxidase _Entity.Sf_category entity _Entity.Sf_framecode cytochrome_c_peroxidase _Entity.Entry_ID 19076 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cytochrome_c_peroxidase _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 ; MHHHHHHKTLVHVASVEKGR SYEDFQKVYNAIALKLREDD EYDNYIGYGPVLVRLAWHTS GTWDKHDNTGGSYGGTYRFK KEFNDPSNAGLQNGFKFLEP IHKEFPWISSGDLFSLGGVT AVQEMQGPKIPWRCGRVDTP EDTTPDNGRLPDADKDADYV RTFFQRLNMNDREVVALMGA HALGKTHLKNSGYEGPWGAA NNVFTNEFYLNLLNEDWKLE KNDANNEQWDSKSGYMMLPT DYSLIQDPKYLSIVKEYAND QDKFFKDFSKAFEKLLENGI TFPKDAPSPFIFKTLEEQGL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal His tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 300 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1839 . "glucose oxidase" . . . . . 97.00 294 99.31 100.00 0.00e+00 . . . . 19076 1 2 no BMRB 19004 . cytochrome_c_peroxidase . . . . . 97.67 300 100.00 100.00 0.00e+00 . . . . 19076 1 3 no BMRB 19005 . cytochrome_c_peroxidase . . . . . 100.00 300 100.00 100.00 0.00e+00 . . . . 19076 1 4 no BMRB 19075 . cytochrome_c_peroxidase . . . . . 97.67 300 100.00 100.00 0.00e+00 . . . . 19076 1 5 no BMRB 19884 . High_pH . . . . . 97.67 295 99.66 99.66 0.00e+00 . . . . 19076 1 6 no BMRB 25551 . CcP . . . . . 97.00 294 99.31 99.31 0.00e+00 . . . . 19076 1 7 no PDB 1A2F . "Probing The Strength And Character Of An Asp-His-X Hydrogen Bond By Introducing Buried Charges" . . . . . 96.67 291 98.97 98.97 0.00e+00 . . . . 19076 1 8 no PDB 1A2G . "Probing The Strength And Character Of An Asp-His-X Hydrogen Bond By Introducing Buried Charges" . . . . . 96.67 291 98.97 98.97 0.00e+00 . . . . 19076 1 9 no PDB 1AA4 . "Specificity Of Ligand Binding In A Buried Polar Cavity Of Cytochrome C Peroxidase" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 10 no PDB 1AC4 . "Variation In The Strength Of A Ch To O Hydrogen Bond In An Artificial Protein Cavity (2,3,4-Trimethyl-1,3-Thiazole)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 11 no PDB 1AC8 . "Variation In The Strength Of A Ch To O Hydrogen Bond In An Artificial Protein Cavity (3,4,5-Trimethylthiazole)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 12 no PDB 1AEB . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (3- Methylthiazole)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 13 no PDB 1AED . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (3,4- Dimethylthiazole)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 14 no PDB 1AEE . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (Aniline)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 15 no PDB 1AEF . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (3- Aminopyridine)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 16 no PDB 1AEG . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (4- Aminopyridine)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 17 no PDB 1AEH . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (2-Amino-4- Methylthiazole" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 18 no PDB 1AEJ . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (1- Vinylimidazole)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 19 no PDB 1AEK . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (Indoline)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 20 no PDB 1AEM . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (Imidazo[1,2- A]pyridine)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 21 no PDB 1AEN . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (2-Amino-5- Methylthiazole" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 22 no PDB 1AEO . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (2- Aminopyridine)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 23 no PDB 1AEQ . "Variation In The Strength Of A Ch To O Hydrogen Bond In An Artificial Protein Cavity (2-Ethylimidazole)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 24 no PDB 1AES . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (Imidazole)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 25 no PDB 1AET . "Variation In The Strength Of A Ch To O Hydrogen Bond In An Artificial Protein Cavity (1-Methylimidazole)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 26 no PDB 1AEU . "Specificity Of Ligand Binding In A Polar Cavity Of Cytochrome C Peroxidase (2-Methylimidazole)" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 27 no PDB 1AEV . "Introduction Of Novel Substrate Oxidation Into Cytochrome C Peroxidase By Cavity Complementation: Oxidation Of 2- Aminothiazole" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 28 no PDB 1BEJ . "Interaction Between Proximal And Distals Regions Of Cytochrome C Peroxidase" . . . . . 97.00 291 98.63 98.97 0.00e+00 . . . . 19076 1 29 no PDB 1BEK . "Effect Of Unnatural Heme Substitution On Kinetics Of Electron Transfer In Cytochrome C Peroxidase" . . . . . 97.00 291 98.63 98.97 0.00e+00 . . . . 19076 1 30 no PDB 1BEM . "Interaction Between Proximal And Distals Regions Of Cytochrome C Peroxidase" . . . . . 97.00 291 98.63 98.97 0.00e+00 . . . . 19076 1 31 no PDB 1BEP . "Effect Of Unnatural Heme Substitution On Kinetics Of Electron Transfer In Cytochrome C Peroxidase" . . . . . 97.00 291 98.97 99.31 0.00e+00 . . . . 19076 1 32 no PDB 1BEQ . "Interaction Between Proximal And Distals Regions Of Cytochrome C Peroxidase" . . . . . 97.00 291 98.63 99.31 0.00e+00 . . . . 19076 1 33 no PDB 1BES . "Interaction Between Proximal And Distals Regions Of Cytochrome C Peroxidase" . . . . . 97.00 291 98.63 99.31 0.00e+00 . . . . 19076 1 34 no PDB 1BJ9 . "Effect Of Unnatural Heme Substitution On Kinetics Of Electron Transfer In Cytochrome C Peroxidase" . . . . . 97.00 291 98.97 99.31 0.00e+00 . . . . 19076 1 35 no PDB 1BVA . "Manganese Binding Mutant In Cytochrome C Peroxidase" . . . . . 97.67 294 98.29 98.63 0.00e+00 . . . . 19076 1 36 no PDB 1CCA . "The Asp-His-Fe Triad Of Cytochrome C Peroxidase Controls The Reduction Potential, Electronic Structure, And Coupling Of The Try" . . . . . 97.00 297 99.31 99.31 0.00e+00 . . . . 19076 1 37 no PDB 1CCB . "The Asp-His-Fe Triad Of Cytochrome C Peroxidase Controls The Reduction Potential, Electronic Structure, And Coupling Of The Try" . . . . . 97.00 297 98.97 99.31 0.00e+00 . . . . 19076 1 38 no PDB 1CCC . "The Asp-His-Fe Triad Of Cytochrome C Peroxidase Controls The Reduction Potential, Electronic Structure, And Coupling Of The Try" . . . . . 97.00 297 98.97 98.97 0.00e+00 . . . . 19076 1 39 no PDB 1CCE . "Construction Of A Bis-Aquo Heme Enzyme And Replacement With Exogenous Ligand" . . . . . 96.67 291 98.97 98.97 0.00e+00 . . . . 19076 1 40 no PDB 1CCG . "Construction Of A Bis-Aquo Heme Enzyme And Replacement With Exogenous Ligand" . . . . . 96.67 291 98.97 98.97 0.00e+00 . . . . 19076 1 41 no PDB 1CCI . "How Flexible Are Proteins? Trapping Of A Flexible Loop" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 42 no PDB 1CCJ . "Conformer Selection By Ligand Binding Observed With Protein Crystallography" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 43 no PDB 1CCK . "Altering Substrate Specificity Of Cytochrome C Peroxidase Towards A Small Molecular Substrate Peroxidase By Substituting Tyrosi" . . . . . 96.67 291 98.97 99.31 0.00e+00 . . . . 19076 1 44 no PDB 1CCL . "Probing The Strength And Character Of An Asp-His-X Hydrogen Bond By Introducing Buried Charges" . . . . . 96.67 291 98.97 98.97 0.00e+00 . . . . 19076 1 45 no PDB 1CCP . "X-Ray Structures Of Recombinant Yeast Cytochrome C Peroxidase And Three Heme-Cleft Mutants Prepared By Site-Directed Mutagenesi" . . . . . 97.00 296 99.31 99.31 0.00e+00 . . . . 19076 1 46 no PDB 1CMP . "Small Molecule Binding To An Artificially Created Cavity At The Active Site Of Cytochrome C Peroxidase" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 47 no PDB 1CMQ . "Small Molecule Binding To An Artificially Created Cavity At The Active Site Of Cytochrome C Peroxidase" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 48 no PDB 1CMT . "The Role Of Aspartate-235 In The Binding Of Cations To An Artificial Cavity At The Radical Site Of Cytochrome C Peroxidase" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 49 no PDB 1CMU . "The Role Of Aspartate-235 In The Binding Of Cations To An Artificial Cavity At The Radical Site Of Cytochrome C Peroxidase" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 50 no PDB 1CPD . "A Cation Binding Motif Stabilizes The Compound I Radical Of Cytochrome C Peroxidase" . . . . . 97.00 296 98.97 98.97 0.00e+00 . . . . 19076 1 51 no PDB 1CPE . "A Cation Binding Motif Stabilizes The Compound I Radical Of Cytochrome C Peroxidase" . . . . . 97.00 296 98.97 98.97 0.00e+00 . . . . 19076 1 52 no PDB 1CPF . "A Cation Binding Motif Stabilizes The Compound I Radical Of Cytochrome C Peroxidase" . . . . . 97.00 296 98.97 98.97 0.00e+00 . . . . 19076 1 53 no PDB 1CPG . "A Cation Binding Motif Stabilizes The Compound I Radical Of Cytochrome C Peroxidase" . . . . . 97.00 296 98.97 98.97 0.00e+00 . . . . 19076 1 54 no PDB 1CYF . "Identifying The Physiological Electron Transfer Site Of Cytochrome C Peroxidase By Structure-Based Engineering" . . . . . 97.00 296 98.63 98.63 0.00e+00 . . . . 19076 1 55 no PDB 1DCC . "2.2 Angstrom Structure Of Oxyperoxidase: A Model For The Enzyme:peroxide Complex" . . . . . 97.00 296 98.97 99.31 0.00e+00 . . . . 19076 1 56 no PDB 1DJ1 . "Crystal Structure Of R48a Mutant Of Cytochrome C Peroxidase" . . . . . 97.00 291 98.97 98.97 0.00e+00 . . . . 19076 1 57 no PDB 1DJ5 . "Crystal Structure Of R48a Mutant Of Cytochrome C Peroxidase With N-Hydroxyguanidine Bound" . . . . . 97.00 291 98.97 98.97 0.00e+00 . . . . 19076 1 58 no PDB 1DS4 . "Cytochrome C Peroxidase H175g Mutant, Imidazole Complex, Ph 6, 100k" . . . . . 97.33 292 98.97 98.97 0.00e+00 . . . . 19076 1 59 no PDB 1DSE . "Cytochrome C Peroxidase H175g Mutant, Imidazole Complex, With Phosphate Bound, Ph 6, 100k" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19076 1 60 no PDB 1DSG . "Cytochrome C Peroxidase H175g Mutant, Imidazole Complex At Ph 5, Room Temperature." . . . . . 97.33 292 98.97 98.97 0.00e+00 . . . . 19076 1 61 no PDB 1DSO . "Cytochrome C Peroxidase H175g Mutant, Imidazole Complex At Ph 6, Room Temperature." . . . . . 97.33 292 98.97 98.97 0.00e+00 . . . . 19076 1 62 no PDB 1DSP . "Cytochrome C Peroxidase H175g Mutant, Imidazole Complex At Ph 7, Room Temperature" . . . . . 97.33 292 98.97 98.97 0.00e+00 . . . . 19076 1 63 no PDB 1EBE . "Laue Diffraction Study On The Structure Of Cytochrome C Peroxidase Compound I" . . . . . 97.00 294 99.66 100.00 0.00e+00 . . . . 19076 1 64 no PDB 1JCI . "Stabilization Of The Engineered Cation-Binding Loop In Cytochrome C Peroxidase (Ccp)" . . . . . 97.00 294 97.94 97.94 0.00e+00 . . . . 19076 1 65 no PDB 1JDR . "Crystal Structure Of A Proximal Domain Potassium Binding Variant Of Cytochrome C Peroxidase" . . . . . 97.00 294 98.28 98.28 0.00e+00 . . . . 19076 1 66 no PDB 1KOK . "Crystal Structure Of Mesopone Cytochrome C Peroxidase (Mpccp)" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19076 1 67 no PDB 1KRJ . "Engineering Calcium-Binding Site Into Cytochrome C Peroxidase (Ccp)" . . . . . 97.00 294 98.28 98.28 0.00e+00 . . . . 19076 1 68 no PDB 1KXM . "Crystal Structure Of Cytochrome C Peroxidase With A Proposed Electron Transfer Pathway Excised To Form A Ligand Binding Channel" . . . . . 97.33 290 98.29 98.29 0.00e+00 . . . . 19076 1 69 no PDB 1KXN . "Crystal Structure Of Cytochrome C Peroxidase With A Proposed Electron Transfer Pathway Excised To Form A Ligand Binding Channel" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 70 no PDB 1MK8 . "Crystal Structure Of A Mutant Cytochrome C Peroxidase Showing A Novel Trp-Tyr Covalent Cross-Link" . . . . . 97.00 294 99.66 100.00 0.00e+00 . . . . 19076 1 71 no PDB 1MKQ . "Crystal Structure Of The Mutant Variant Of Cytochrome C Peroxidase In The 'open' Uncross-Linked Form" . . . . . 97.00 294 99.66 100.00 0.00e+00 . . . . 19076 1 72 no PDB 1MKR . "Crystal Structure Of A Mutant Variant Of Cytochrome C Peroxidase (Plate Like Crystals)" . . . . . 97.00 294 99.66 100.00 0.00e+00 . . . . 19076 1 73 no PDB 1ML2 . "Crystal Structure Of A Mutant Variant Of Cytochrome C Peroxidase With Zn(Ii)-(20-Oxo-Protoporphyrin Ix)" . . . . . 97.00 294 99.66 100.00 0.00e+00 . . . . 19076 1 74 no PDB 1RYC . "Cytochrome C Peroxidase W191g From Saccharomyces Cerevisiae" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 75 no PDB 1S6V . "Structure Of A Cytochrome C Peroxidase-Cytochrome C Site Specific Cross-Link" . . . . . 97.00 294 99.31 99.31 0.00e+00 . . . . 19076 1 76 no PDB 1S73 . "Crystal Structure Of Mesopone Cytochrome C Peroxidase (R- Isomer) [mpccp-R]" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19076 1 77 no PDB 1SBM . "Crystal Structure Of Reduced Mesopone Cytochrome C Peroxidase (R-Isomer)" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19076 1 78 no PDB 1SDQ . "Structure Of Reduced-No Adduct Of Mesopone Cytochrome C Peroxidase" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19076 1 79 no PDB 1SOG . "Cyrstal Structure Of Cytochrome C Peroxidase Mutant: Ccpk2m2" . . . . . 97.00 294 97.59 97.94 0.00e+00 . . . . 19076 1 80 no PDB 1STQ . "Cyrstal Structure Of Cytochrome C Peroxidase Mutant: Ccpk2m3" . . . . . 97.00 294 97.25 97.59 0.00e+00 . . . . 19076 1 81 no PDB 1U74 . "Electron Transfer Complex Between Cytochrome C And Cytochrome C Peroxidase" . . . . . 97.00 296 99.31 99.31 0.00e+00 . . . . 19076 1 82 no PDB 1U75 . "Electron Transfer Complex Between Horse Heart Cytochrome C And Zinc- Porphyrin Substituted Cytochrome C Peroxidase" . . . . . 97.00 296 99.31 99.31 0.00e+00 . . . . 19076 1 83 no PDB 1Z53 . "The 1.13 Angstrom Structure Of Iron-Free Cytochrome C Peroxidase" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19076 1 84 no PDB 1ZBY . "High-resolution Crystal Structure Of Native (resting) Cytochrome C Peroxidase (ccp)" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19076 1 85 no PDB 1ZBZ . "High-Resolution Crystal Structure Of Compound I Intermediate Of Cytochrome C Peroxidase (Ccp)" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19076 1 86 no PDB 2ANZ . "Cytochrome C Peroxidase In Complex With 2,6-Diaminopyridine" . . . . . 97.67 294 98.63 98.98 0.00e+00 . . . . 19076 1 87 no PDB 2AQD . "Cytochrome C Peroxidase (Ccp) In Complex With 2,5- Diaminopyridine" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 88 no PDB 2AS1 . "Cytochrome C Peroxidase In Complex With Thiopheneamidine" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 89 no PDB 2AS2 . "Cytochrome C Peroxidase In Complex With 2-Iminopiperidine" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 90 no PDB 2AS3 . "Cytochrome C Peroxidase In Complex With Phenol" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 91 no PDB 2AS4 . "Cytochrome C Peroxidase In Complex With 3-Fluorocatechol" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 92 no PDB 2AS6 . "Cytochrome C Peroxidase In Complex With Cyclopentylamine" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 93 no PDB 2B0Z . "Crystal Structure Of The Protein-Protein Complex Between F82i Cytochrome C And Cytochrome C Peroxidase" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19076 1 94 no PDB 2B10 . "Crystal Structure Of The Protein-Protein Complex Between F82s Cytochrome C And Cytochrome C Peroxidase" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19076 1 95 no PDB 2B11 . "Crystal Structure Of The Protein-Protein Complex Between F82w Cytochrome C And Cytochrome C Peroxidase" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19076 1 96 no PDB 2B12 . "Crystal Structure Of The Protein-Protein Complex Between F82y Cytochrome C And Cytochrome C Peroxidase" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19076 1 97 no PDB 2BCN . "Solvent Isotope Effects On Interfacial Protein Electron Transfer Between Cytochrome C And Cytochrome C Peroxidase" . . . . . 97.00 296 99.31 99.31 0.00e+00 . . . . 19076 1 98 no PDB 2CCP . "X-Ray Structures Of Recombinant Yeast Cytochrome C Peroxidase And Three Heme-Cleft Mutants Prepared By Site-Directed Mutagenesi" . . . . . 97.00 296 98.97 99.31 0.00e+00 . . . . 19076 1 99 no PDB 2CEP . "Role Of Met-230 In Intramolecular Electron Transfer Between The Oxyferryl Heme And Trp 191 In Cytochrome C Peroxidase Compound " . . . . . 97.00 296 98.97 99.31 0.00e+00 . . . . 19076 1 100 no PDB 2CYP . "Crystal Structure Of Yeast Cytochrome C Peroxidase Refined At 1.7-Angstroms Resolution" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19076 1 101 no PDB 2EUN . "Cytochrome C Peroxidase (ccp) In Complex With 2,4- Diaminopyrimidine" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 102 no PDB 2EUO . "Cytochrome C Peroxidase (ccp) In Complex With 1-methyl-1- Lambda-5-pyridin-3-yl-amine" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 103 no PDB 2EUP . "Cytochrome C Peroxidase (Ccp) In Complex With 2-Amino-5- Picoline" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 104 no PDB 2EUQ . "Cytochrome C Peroxydase (Ccp) In Complex With 3- Thienylmethylamine" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 105 no PDB 2EUR . "Cytochrome C Peroxidase (Ccp) In Complex With 4- Pyridylcarbinol" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 106 no PDB 2EUS . "Cytochrome C Peroxidase (Ccp) In Complex With Benzylamine" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 107 no PDB 2EUT . "Cytochrome C Peroxidase (Ccp) In Complex With 2-Amino-4- Picoline" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 108 no PDB 2EUU . "Cytochrome C Peroxidase (Ccp) In Complex With 1h-Imidazol-2- Ylmethanol" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 109 no PDB 2GB8 . "Solution Structure Of The Complex Between Yeast Iso-1- Cytochrome C And Yeast Cytochrome C Peroxidase" . . . . . 97.00 294 99.31 99.31 0.00e+00 . . . . 19076 1 110 no PDB 2IA8 . "Kinetic And Crystallographic Studies Of A Redesigned Manganese-Binding Site In Cytochrome C Peroxidase" . . . . . 97.00 291 98.28 98.63 0.00e+00 . . . . 19076 1 111 no PDB 2ICV . "Kinetic And Crystallographic Studies Of A Redesigned Manganese-Binding Site In Cytochrome C Peroxidase" . . . . . 97.00 291 98.28 98.63 0.00e+00 . . . . 19076 1 112 no PDB 2JTI . "Solution Structure Of The Yeast Iso-1-Cytochrome C (T12a) : Yeast Cytochrome C Peroxidase Complex" . . . . . 97.00 294 99.31 99.31 0.00e+00 . . . . 19076 1 113 no PDB 2N18 . "Dominant Form Of The Low-affinity Complex Of Yeast Cytochrome C And Cytochrome C Peroxidase" . . . . . 97.00 294 99.31 99.31 0.00e+00 . . . . 19076 1 114 no PDB 2PCB . "Crystal Structure Of A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase And Cytochrome C" . . . . . 97.00 296 99.31 99.31 0.00e+00 . . . . 19076 1 115 no PDB 2PCC . "Crystal Structure Of A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase And Cytochrome C" . . . . . 97.00 296 99.31 99.31 0.00e+00 . . . . 19076 1 116 no PDB 2RBT . "N-Methylbenzylamine In Complex With Cytochrome C Peroxidase W191g" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19076 1 117 no PDB 2RBU . "Cytochrome C Peroxidase In Complex With Cyclopentane-Carboximidamide" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19076 1 118 no PDB 2RBV . "Cytochrome C Peroxidase In Complex With (1-Methyl-1h-Pyrrol-2-Yl)- Methylamine" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19076 1 119 no PDB 2RBW . "Cytochrome C Peroxidase W191g In Complex With 1,2-dimethyl-1h-pyridin- 5-amine" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19076 1 120 no PDB 2RBX . "Cytochrome C Peroxidase W191g In Complex With Pyrimidine-2,4,6- Triamine." . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19076 1 121 no PDB 2RBY . "1-methyl-5-imidazolecarboxaldehyde In Complex With Cytochrome C Peroxidase W191g" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19076 1 122 no PDB 2RBZ . "Cytochrome C Peroxidase W191g In Complex 3-Methoxypyridine" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19076 1 123 no PDB 2RC0 . "Cytochrome C Peroxidase W191g In Complex With 2-Imino-4- Methylpiperdine" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19076 1 124 no PDB 2RC1 . "Cytochrome C Peroxidase W191g In Complex With 2,4,5-Trimethyl-3- Oxazoline" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19076 1 125 no PDB 2RC2 . "Cytochrome C Peroxidase W191g In Complex With 1-Methyl-2-Vinyl- Pyridinium" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19076 1 126 no PDB 2V23 . "Structure Of Cytochrome C Peroxidase Mutant N184r Y36a" . . . . . 97.00 296 98.97 99.31 0.00e+00 . . . . 19076 1 127 no PDB 2V2E . "Structure Of Isoniazid (Inh) Bound To Cytochrome C Peroxidase Mutant N184r Y36a" . . . . . 97.67 294 98.98 99.32 0.00e+00 . . . . 19076 1 128 no PDB 2X07 . "Cytochrome C Peroxidase: Engineered Ascorbate Binding Site" . . . . . 97.00 293 98.63 99.31 0.00e+00 . . . . 19076 1 129 no PDB 2X08 . "Cytochrome C Peroxidase: Ascorbate Bound To The Engineered Ascorbate Binding Site" . . . . . 97.00 293 98.63 99.31 0.00e+00 . . . . 19076 1 130 no PDB 2XIL . "The Structure Of Cytochrome C Peroxidase Compound I" . . . . . 97.67 294 99.66 100.00 0.00e+00 . . . . 19076 1 131 no PDB 2XJ5 . "The Structure Of Cytochrome C Peroxidase Compound Ii" . . . . . 97.67 294 100.00 100.00 0.00e+00 . . . . 19076 1 132 no PDB 2XJ8 . "The Structure Of Ferrous Cytochrome C Peroxidase" . . . . . 97.67 294 100.00 100.00 0.00e+00 . . . . 19076 1 133 no PDB 2Y5A . "Cytochrome C Peroxidase (Ccp) W191g Bound To 3-Aminopyridine" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 134 no PDB 2YCG . "Structure Of Unreduced Ferric Cytochrome C Peroxidase Obtained By Multicrystal Method" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19076 1 135 no PDB 3CCP . "X-Ray Structures Of Recombinant Yeast Cytochrome C Peroxidase And Three Heme-Cleft Mutants Prepared By Site-Directed Mutagenesi" . . . . . 97.00 296 98.97 99.31 0.00e+00 . . . . 19076 1 136 no PDB 3CCX . "Altering Substrate Specificity At The Heme Edge Of Cytochrome C Peroxidase" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 137 no PDB 3E2O . "Crystal Structure Of Cytochrome C Peroxidase, N184r Mutant" . . . . . 97.00 294 99.31 99.31 0.00e+00 . . . . 19076 1 138 no PDB 3EXB . "Crystal Structure Of Cytochrome C Peroxidase With A Proposed Electron Pathway Excised In A Complex With A Peptide Wire" . . . . . 97.00 295 98.28 98.28 0.00e+00 . . . . 19076 1 139 no PDB 3M23 . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 140 no PDB 3M25 . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 141 no PDB 3M26 . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 142 no PDB 3M27 . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 143 no PDB 3M28 . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 144 no PDB 3M29 . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 145 no PDB 3M2A . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 146 no PDB 3M2B . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 147 no PDB 3M2C . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 148 no PDB 3M2D . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 149 no PDB 3M2E . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 150 no PDB 3M2F . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 151 no PDB 3M2G . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 152 no PDB 3M2H . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 153 no PDB 3M2I . "Crystallographic And Single Crystal Spectral Analysis Of The Peroxidase Ferryl Intermediate" . . . . . 97.00 291 99.66 99.66 0.00e+00 . . . . 19076 1 154 no PDB 3R98 . "Joint Neutron And X-Ray Structure Of Cytochrome C Peroxidase" . . . . . 97.00 293 100.00 100.00 0.00e+00 . . . . 19076 1 155 no PDB 3R99 . "Joint Neutron And X-Ray Structure Of Cytochrome C Peroxidase" . . . . . 97.00 293 100.00 100.00 0.00e+00 . . . . 19076 1 156 no PDB 4A6Z . "Cytochrome C Peroxidase With Bound Guaiacol" . . . . . 97.00 296 98.97 99.31 0.00e+00 . . . . 19076 1 157 no PDB 4A71 . "Cytochrome C Peroxidase In Complex With Phenol" . . . . . 97.00 296 99.31 99.31 0.00e+00 . . . . 19076 1 158 no PDB 4A78 . "Cytochrome C Peroxidase M119w In Complex With Guiacol" . . . . . 97.00 296 99.31 99.31 0.00e+00 . . . . 19076 1 159 no PDB 4A7M . "Cytochrome C Peroxidase S81w Mutant" . . . . . 97.00 296 99.66 99.66 0.00e+00 . . . . 19076 1 160 no PDB 4CCP . "X-Ray Structures Of Recombinant Yeast Cytochrome C Peroxidase And Three Heme-Cleft Mutants Prepared By Site-Directed Mutagenesi" . . . . . 97.00 296 98.97 99.31 0.00e+00 . . . . 19076 1 161 no PDB 4CCX . "Altering Substrate Specificity At The Heme Edge Of Cytochrome C Peroxidase" . . . . . 97.67 294 98.98 98.98 0.00e+00 . . . . 19076 1 162 no PDB 4CVI . "Neutron Structure Of Ferric Cytochrome C Peroxidase - Deuterium Exchanged At Room Temperature" . . . . . 97.67 294 99.66 99.66 0.00e+00 . . . . 19076 1 163 no PDB 4CVJ . "Neutron Structure Of Compound I Intermediate Of Cytochrome C Peroxidase - Deuterium Exchanged 100 K" . . . . . 97.67 294 100.00 100.00 0.00e+00 . . . . 19076 1 164 no PDB 4JB4 . "Expression, Purification, Characterization, And Solution Nmr Study Of Highly Deuterated Yeast Cytochrome C Peroxidase With Enha" . . . . . 97.67 300 100.00 100.00 0.00e+00 . . . . 19076 1 165 no PDB 4JM5 . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With 2-amino-5-methylthiazole" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 166 no PDB 4JM6 . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With 2,4-diaminopyrimidine" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 167 no PDB 4JM8 . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With 2,6-diaminopyridine" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 168 no PDB 4JM9 . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With 3-amino-1-methylpyridinium" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 169 no PDB 4JMA . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With 3-fluorocatechol" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 170 no PDB 4JMB . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 171 no PDB 4JMS . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With Imidazo[1,2-a]pyridin-5-amine" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 172 no PDB 4JMT . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With 1h-pyrrolo[3,2-b]pyridin-6-ylmethanol" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 173 no PDB 4JMV . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With Imidazo[1,2-a]pyridin-6-amine" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 174 no PDB 4JMW . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With Phenol" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 175 no PDB 4JMZ . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With N-methyl-1h-benzimidazol-2-amine" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 176 no PDB 4JN0 . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With 1h-pyrrolo[3,2-b]pyridine-6-carbaldehyde" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 177 no PDB 4JPL . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With 4-azaindole" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 178 no PDB 4JPT . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With Quinazoline-2,4-diamine" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 179 no PDB 4JPU . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With Benzamidine" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 180 no PDB 4JQJ . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With 4-aminoquinoline" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 181 no PDB 4JQK . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With 2-(2-aminopyridin-1-ium-1-yl)ethanol" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 182 no PDB 4JQM . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With 4-aminoquinazoline" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 183 no PDB 4JQN . "Crystal Structure Of Cytochrome C Peroxidase W191g-gateless In Complex With 4-hydroxybenzaldehyde" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 184 no PDB 4NFG . "K13r Mutant Of Horse Cytochrome C And Yeast Cytochrome C Peroxidase Complex" . . . . . 97.67 294 99.66 99.66 0.00e+00 . . . . 19076 1 185 no PDB 4NVA . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 186 no PDB 4NVB . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 187 no PDB 4NVC . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 188 no PDB 4NVD . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 189 no PDB 4NVE . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 190 no PDB 4NVF . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 191 no PDB 4NVG . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 192 no PDB 4NVH . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 193 no PDB 4NVI . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 194 no PDB 4NVJ . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 195 no PDB 4NVK . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 196 no PDB 4NVL . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 197 no PDB 4NVM . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 198 no PDB 4NVN . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 199 no PDB 4NVO . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 200 no PDB 4OQ7 . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 201 no PDB 4P4Q . "Complex Of Yeast Cytochrome C Peroxidase (w191f) With Iso-1 Cytochrome C" . . . . . 97.00 294 98.97 99.31 0.00e+00 . . . . 19076 1 202 no PDB 4XV4 . "Ccp Gateless Cavity" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 203 no PDB 4XV5 . "Ccp Gateless Cavity" . . . . . 97.67 292 98.29 98.29 0.00e+00 . . . . 19076 1 204 no PDB 4XV6 . "Ccp Gateless Cavity" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19076 1 205 no PDB 4XV7 . "Ccp Gateless Cavity" . . . . . 97.67 292 98.29 98.29 0.00e+00 . . . . 19076 1 206 no PDB 4XV8 . "Ccp Gateless Cavity" . . . . . 97.67 292 98.29 98.29 0.00e+00 . . . . 19076 1 207 no PDB 4XVA . "Crystal Structure Of Wild Type Cytochrome C Peroxidase" . . . . . 97.00 293 100.00 100.00 0.00e+00 . . . . 19076 1 208 no PDB 5CCP . "Histidine 52 Is A Critical Residue For Rapid Formation Of Cytochrome C Peroxidase Compound I" . . . . . 97.00 296 98.97 98.97 0.00e+00 . . . . 19076 1 209 no PDB 6CCP . "Effect Of Arginine-48 Replacement On The Reaction Between Cytochrome C Peroxidase And Hydrogen Peroxide" . . . . . 97.00 296 98.97 99.31 0.00e+00 . . . . 19076 1 210 no PDB 7CCP . "Effect Of Arginine-48 Replacement On The Reaction Between Cytochrome C Peroxidase And Hydrogen Peroxide" . . . . . 97.00 296 98.97 98.97 0.00e+00 . . . . 19076 1 211 no DBJ GAA24787 . "K7_Ccp1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.00 363 100.00 100.00 0.00e+00 . . . . 19076 1 212 no EMBL CAA44288 . "Cytochrome c peroxidase [Saccharomyces cerevisiae]" . . . . . 97.00 361 100.00 100.00 0.00e+00 . . . . 19076 1 213 no EMBL CAA82145 . "CCP1 [Saccharomyces cerevisiae]" . . . . . 97.00 361 100.00 100.00 0.00e+00 . . . . 19076 1 214 no EMBL CAY81144 . "Ccp1p [Saccharomyces cerevisiae EC1118]" . . . . . 97.00 362 99.66 99.66 0.00e+00 . . . . 19076 1 215 no GB AAA88709 . "cytochrome c peroxidase [Saccharomyces cerevisiae]" . . . . . 97.00 362 99.31 99.31 0.00e+00 . . . . 19076 1 216 no GB AAS56247 . "YKR066C [Saccharomyces cerevisiae]" . . . . . 97.00 361 99.66 100.00 0.00e+00 . . . . 19076 1 217 no GB AHY76301 . "Ccp1p [Saccharomyces cerevisiae YJM993]" . . . . . 97.00 363 99.31 99.31 0.00e+00 . . . . 19076 1 218 no GB AJP40095 . "Ccp1p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.00 362 99.66 99.66 0.00e+00 . . . . 19076 1 219 no GB AJS30293 . "Ccp1p [Saccharomyces cerevisiae YJM189]" . . . . . 97.00 362 99.31 99.31 0.00e+00 . . . . 19076 1 220 no REF NP_012992 . "Ccp1p [Saccharomyces cerevisiae S288c]" . . . . . 97.00 361 100.00 100.00 0.00e+00 . . . . 19076 1 221 no SP P00431 . "RecName: Full=Cytochrome c peroxidase, mitochondrial; Short=CCP; Flags: Precursor" . . . . . 97.00 361 100.00 100.00 0.00e+00 . . . . 19076 1 222 no TPG DAA09217 . "TPA: Ccp1p [Saccharomyces cerevisiae S288c]" . . . . . 97.00 361 100.00 100.00 0.00e+00 . . . . 19076 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 -5 MET . 19076 1 2 -4 HIS . 19076 1 3 -3 HIS . 19076 1 4 -2 HIS . 19076 1 5 -1 HIS . 19076 1 6 0 HIS . 19076 1 7 1 HIS . 19076 1 8 2 LYS . 19076 1 9 3 THR . 19076 1 10 4 LEU . 19076 1 11 5 VAL . 19076 1 12 6 HIS . 19076 1 13 7 VAL . 19076 1 14 8 ALA . 19076 1 15 9 SER . 19076 1 16 10 VAL . 19076 1 17 11 GLU . 19076 1 18 12 LYS . 19076 1 19 13 GLY . 19076 1 20 14 ARG . 19076 1 21 15 SER . 19076 1 22 16 TYR . 19076 1 23 17 GLU . 19076 1 24 18 ASP . 19076 1 25 19 PHE . 19076 1 26 20 GLN . 19076 1 27 21 LYS . 19076 1 28 22 VAL . 19076 1 29 23 TYR . 19076 1 30 24 ASN . 19076 1 31 25 ALA . 19076 1 32 26 ILE . 19076 1 33 27 ALA . 19076 1 34 28 LEU . 19076 1 35 29 LYS . 19076 1 36 30 LEU . 19076 1 37 31 ARG . 19076 1 38 32 GLU . 19076 1 39 33 ASP . 19076 1 40 34 ASP . 19076 1 41 35 GLU . 19076 1 42 36 TYR . 19076 1 43 37 ASP . 19076 1 44 38 ASN . 19076 1 45 39 TYR . 19076 1 46 40 ILE . 19076 1 47 41 GLY . 19076 1 48 42 TYR . 19076 1 49 43 GLY . 19076 1 50 44 PRO . 19076 1 51 45 VAL . 19076 1 52 46 LEU . 19076 1 53 47 VAL . 19076 1 54 48 ARG . 19076 1 55 49 LEU . 19076 1 56 50 ALA . 19076 1 57 51 TRP . 19076 1 58 52 HIS . 19076 1 59 53 THR . 19076 1 60 54 SER . 19076 1 61 55 GLY . 19076 1 62 56 THR . 19076 1 63 57 TRP . 19076 1 64 58 ASP . 19076 1 65 59 LYS . 19076 1 66 60 HIS . 19076 1 67 61 ASP . 19076 1 68 62 ASN . 19076 1 69 63 THR . 19076 1 70 64 GLY . 19076 1 71 65 GLY . 19076 1 72 66 SER . 19076 1 73 67 TYR . 19076 1 74 68 GLY . 19076 1 75 69 GLY . 19076 1 76 70 THR . 19076 1 77 71 TYR . 19076 1 78 72 ARG . 19076 1 79 73 PHE . 19076 1 80 74 LYS . 19076 1 81 75 LYS . 19076 1 82 76 GLU . 19076 1 83 77 PHE . 19076 1 84 78 ASN . 19076 1 85 79 ASP . 19076 1 86 80 PRO . 19076 1 87 81 SER . 19076 1 88 82 ASN . 19076 1 89 83 ALA . 19076 1 90 84 GLY . 19076 1 91 85 LEU . 19076 1 92 86 GLN . 19076 1 93 87 ASN . 19076 1 94 88 GLY . 19076 1 95 89 PHE . 19076 1 96 90 LYS . 19076 1 97 91 PHE . 19076 1 98 92 LEU . 19076 1 99 93 GLU . 19076 1 100 94 PRO . 19076 1 101 95 ILE . 19076 1 102 96 HIS . 19076 1 103 97 LYS . 19076 1 104 98 GLU . 19076 1 105 99 PHE . 19076 1 106 100 PRO . 19076 1 107 101 TRP . 19076 1 108 102 ILE . 19076 1 109 103 SER . 19076 1 110 104 SER . 19076 1 111 105 GLY . 19076 1 112 106 ASP . 19076 1 113 107 LEU . 19076 1 114 108 PHE . 19076 1 115 109 SER . 19076 1 116 110 LEU . 19076 1 117 111 GLY . 19076 1 118 112 GLY . 19076 1 119 113 VAL . 19076 1 120 114 THR . 19076 1 121 115 ALA . 19076 1 122 116 VAL . 19076 1 123 117 GLN . 19076 1 124 118 GLU . 19076 1 125 119 MET . 19076 1 126 120 GLN . 19076 1 127 121 GLY . 19076 1 128 122 PRO . 19076 1 129 123 LYS . 19076 1 130 124 ILE . 19076 1 131 125 PRO . 19076 1 132 126 TRP . 19076 1 133 127 ARG . 19076 1 134 128 CYS . 19076 1 135 129 GLY . 19076 1 136 130 ARG . 19076 1 137 131 VAL . 19076 1 138 132 ASP . 19076 1 139 133 THR . 19076 1 140 134 PRO . 19076 1 141 135 GLU . 19076 1 142 136 ASP . 19076 1 143 137 THR . 19076 1 144 138 THR . 19076 1 145 139 PRO . 19076 1 146 140 ASP . 19076 1 147 141 ASN . 19076 1 148 142 GLY . 19076 1 149 143 ARG . 19076 1 150 144 LEU . 19076 1 151 145 PRO . 19076 1 152 146 ASP . 19076 1 153 147 ALA . 19076 1 154 148 ASP . 19076 1 155 149 LYS . 19076 1 156 150 ASP . 19076 1 157 151 ALA . 19076 1 158 152 ASP . 19076 1 159 153 TYR . 19076 1 160 154 VAL . 19076 1 161 155 ARG . 19076 1 162 156 THR . 19076 1 163 157 PHE . 19076 1 164 158 PHE . 19076 1 165 159 GLN . 19076 1 166 160 ARG . 19076 1 167 161 LEU . 19076 1 168 162 ASN . 19076 1 169 163 MET . 19076 1 170 164 ASN . 19076 1 171 165 ASP . 19076 1 172 166 ARG . 19076 1 173 167 GLU . 19076 1 174 168 VAL . 19076 1 175 169 VAL . 19076 1 176 170 ALA . 19076 1 177 171 LEU . 19076 1 178 172 MET . 19076 1 179 173 GLY . 19076 1 180 174 ALA . 19076 1 181 175 HIS . 19076 1 182 176 ALA . 19076 1 183 177 LEU . 19076 1 184 178 GLY . 19076 1 185 179 LYS . 19076 1 186 180 THR . 19076 1 187 181 HIS . 19076 1 188 182 LEU . 19076 1 189 183 LYS . 19076 1 190 184 ASN . 19076 1 191 185 SER . 19076 1 192 186 GLY . 19076 1 193 187 TYR . 19076 1 194 188 GLU . 19076 1 195 189 GLY . 19076 1 196 190 PRO . 19076 1 197 191 TRP . 19076 1 198 192 GLY . 19076 1 199 193 ALA . 19076 1 200 194 ALA . 19076 1 201 195 ASN . 19076 1 202 196 ASN . 19076 1 203 197 VAL . 19076 1 204 198 PHE . 19076 1 205 199 THR . 19076 1 206 200 ASN . 19076 1 207 201 GLU . 19076 1 208 202 PHE . 19076 1 209 203 TYR . 19076 1 210 204 LEU . 19076 1 211 205 ASN . 19076 1 212 206 LEU . 19076 1 213 207 LEU . 19076 1 214 208 ASN . 19076 1 215 209 GLU . 19076 1 216 210 ASP . 19076 1 217 211 TRP . 19076 1 218 212 LYS . 19076 1 219 213 LEU . 19076 1 220 214 GLU . 19076 1 221 215 LYS . 19076 1 222 216 ASN . 19076 1 223 217 ASP . 19076 1 224 218 ALA . 19076 1 225 219 ASN . 19076 1 226 220 ASN . 19076 1 227 221 GLU . 19076 1 228 222 GLN . 19076 1 229 223 TRP . 19076 1 230 224 ASP . 19076 1 231 225 SER . 19076 1 232 226 LYS . 19076 1 233 227 SER . 19076 1 234 228 GLY . 19076 1 235 229 TYR . 19076 1 236 230 MET . 19076 1 237 231 MET . 19076 1 238 232 LEU . 19076 1 239 233 PRO . 19076 1 240 234 THR . 19076 1 241 235 ASP . 19076 1 242 236 TYR . 19076 1 243 237 SER . 19076 1 244 238 LEU . 19076 1 245 239 ILE . 19076 1 246 240 GLN . 19076 1 247 241 ASP . 19076 1 248 242 PRO . 19076 1 249 243 LYS . 19076 1 250 244 TYR . 19076 1 251 245 LEU . 19076 1 252 246 SER . 19076 1 253 247 ILE . 19076 1 254 248 VAL . 19076 1 255 249 LYS . 19076 1 256 250 GLU . 19076 1 257 251 TYR . 19076 1 258 252 ALA . 19076 1 259 253 ASN . 19076 1 260 254 ASP . 19076 1 261 255 GLN . 19076 1 262 256 ASP . 19076 1 263 257 LYS . 19076 1 264 258 PHE . 19076 1 265 259 PHE . 19076 1 266 260 LYS . 19076 1 267 261 ASP . 19076 1 268 262 PHE . 19076 1 269 263 SER . 19076 1 270 264 LYS . 19076 1 271 265 ALA . 19076 1 272 266 PHE . 19076 1 273 267 GLU . 19076 1 274 268 LYS . 19076 1 275 269 LEU . 19076 1 276 270 LEU . 19076 1 277 271 GLU . 19076 1 278 272 ASN . 19076 1 279 273 GLY . 19076 1 280 274 ILE . 19076 1 281 275 THR . 19076 1 282 276 PHE . 19076 1 283 277 PRO . 19076 1 284 278 LYS . 19076 1 285 279 ASP . 19076 1 286 280 ALA . 19076 1 287 281 PRO . 19076 1 288 282 SER . 19076 1 289 283 PRO . 19076 1 290 284 PHE . 19076 1 291 285 ILE . 19076 1 292 286 PHE . 19076 1 293 287 LYS . 19076 1 294 288 THR . 19076 1 295 289 LEU . 19076 1 296 290 GLU . 19076 1 297 291 GLU . 19076 1 298 292 GLN . 19076 1 299 293 GLY . 19076 1 300 294 LEU . 19076 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 . MET 1 1 19076 1 . HIS 2 2 19076 1 . HIS 3 3 19076 1 . HIS 4 4 19076 1 . HIS 5 5 19076 1 . HIS 6 6 19076 1 . HIS 7 7 19076 1 . LYS 8 8 19076 1 . THR 9 9 19076 1 . LEU 10 10 19076 1 . VAL 11 11 19076 1 . HIS 12 12 19076 1 . VAL 13 13 19076 1 . ALA 14 14 19076 1 . SER 15 15 19076 1 . VAL 16 16 19076 1 . GLU 17 17 19076 1 . LYS 18 18 19076 1 . GLY 19 19 19076 1 . ARG 20 20 19076 1 . SER 21 21 19076 1 . TYR 22 22 19076 1 . GLU 23 23 19076 1 . ASP 24 24 19076 1 . PHE 25 25 19076 1 . GLN 26 26 19076 1 . LYS 27 27 19076 1 . VAL 28 28 19076 1 . TYR 29 29 19076 1 . ASN 30 30 19076 1 . ALA 31 31 19076 1 . ILE 32 32 19076 1 . ALA 33 33 19076 1 . LEU 34 34 19076 1 . LYS 35 35 19076 1 . LEU 36 36 19076 1 . ARG 37 37 19076 1 . GLU 38 38 19076 1 . ASP 39 39 19076 1 . ASP 40 40 19076 1 . GLU 41 41 19076 1 . TYR 42 42 19076 1 . ASP 43 43 19076 1 . ASN 44 44 19076 1 . TYR 45 45 19076 1 . ILE 46 46 19076 1 . GLY 47 47 19076 1 . TYR 48 48 19076 1 . GLY 49 49 19076 1 . PRO 50 50 19076 1 . VAL 51 51 19076 1 . LEU 52 52 19076 1 . VAL 53 53 19076 1 . ARG 54 54 19076 1 . LEU 55 55 19076 1 . ALA 56 56 19076 1 . TRP 57 57 19076 1 . HIS 58 58 19076 1 . THR 59 59 19076 1 . SER 60 60 19076 1 . GLY 61 61 19076 1 . THR 62 62 19076 1 . TRP 63 63 19076 1 . ASP 64 64 19076 1 . LYS 65 65 19076 1 . HIS 66 66 19076 1 . ASP 67 67 19076 1 . ASN 68 68 19076 1 . THR 69 69 19076 1 . GLY 70 70 19076 1 . GLY 71 71 19076 1 . SER 72 72 19076 1 . TYR 73 73 19076 1 . GLY 74 74 19076 1 . GLY 75 75 19076 1 . THR 76 76 19076 1 . TYR 77 77 19076 1 . ARG 78 78 19076 1 . PHE 79 79 19076 1 . LYS 80 80 19076 1 . LYS 81 81 19076 1 . GLU 82 82 19076 1 . PHE 83 83 19076 1 . ASN 84 84 19076 1 . ASP 85 85 19076 1 . PRO 86 86 19076 1 . SER 87 87 19076 1 . ASN 88 88 19076 1 . ALA 89 89 19076 1 . GLY 90 90 19076 1 . LEU 91 91 19076 1 . GLN 92 92 19076 1 . ASN 93 93 19076 1 . GLY 94 94 19076 1 . PHE 95 95 19076 1 . LYS 96 96 19076 1 . PHE 97 97 19076 1 . LEU 98 98 19076 1 . GLU 99 99 19076 1 . PRO 100 100 19076 1 . ILE 101 101 19076 1 . HIS 102 102 19076 1 . LYS 103 103 19076 1 . GLU 104 104 19076 1 . PHE 105 105 19076 1 . PRO 106 106 19076 1 . TRP 107 107 19076 1 . ILE 108 108 19076 1 . SER 109 109 19076 1 . SER 110 110 19076 1 . GLY 111 111 19076 1 . ASP 112 112 19076 1 . LEU 113 113 19076 1 . PHE 114 114 19076 1 . SER 115 115 19076 1 . LEU 116 116 19076 1 . GLY 117 117 19076 1 . GLY 118 118 19076 1 . VAL 119 119 19076 1 . THR 120 120 19076 1 . ALA 121 121 19076 1 . VAL 122 122 19076 1 . GLN 123 123 19076 1 . GLU 124 124 19076 1 . MET 125 125 19076 1 . GLN 126 126 19076 1 . GLY 127 127 19076 1 . PRO 128 128 19076 1 . LYS 129 129 19076 1 . ILE 130 130 19076 1 . PRO 131 131 19076 1 . TRP 132 132 19076 1 . ARG 133 133 19076 1 . CYS 134 134 19076 1 . GLY 135 135 19076 1 . ARG 136 136 19076 1 . VAL 137 137 19076 1 . ASP 138 138 19076 1 . THR 139 139 19076 1 . PRO 140 140 19076 1 . GLU 141 141 19076 1 . ASP 142 142 19076 1 . THR 143 143 19076 1 . THR 144 144 19076 1 . PRO 145 145 19076 1 . ASP 146 146 19076 1 . ASN 147 147 19076 1 . GLY 148 148 19076 1 . ARG 149 149 19076 1 . LEU 150 150 19076 1 . PRO 151 151 19076 1 . ASP 152 152 19076 1 . ALA 153 153 19076 1 . ASP 154 154 19076 1 . LYS 155 155 19076 1 . ASP 156 156 19076 1 . ALA 157 157 19076 1 . ASP 158 158 19076 1 . TYR 159 159 19076 1 . VAL 160 160 19076 1 . ARG 161 161 19076 1 . THR 162 162 19076 1 . PHE 163 163 19076 1 . PHE 164 164 19076 1 . GLN 165 165 19076 1 . ARG 166 166 19076 1 . LEU 167 167 19076 1 . ASN 168 168 19076 1 . MET 169 169 19076 1 . ASN 170 170 19076 1 . ASP 171 171 19076 1 . ARG 172 172 19076 1 . GLU 173 173 19076 1 . VAL 174 174 19076 1 . VAL 175 175 19076 1 . ALA 176 176 19076 1 . LEU 177 177 19076 1 . MET 178 178 19076 1 . GLY 179 179 19076 1 . ALA 180 180 19076 1 . HIS 181 181 19076 1 . ALA 182 182 19076 1 . LEU 183 183 19076 1 . GLY 184 184 19076 1 . LYS 185 185 19076 1 . THR 186 186 19076 1 . HIS 187 187 19076 1 . LEU 188 188 19076 1 . LYS 189 189 19076 1 . ASN 190 190 19076 1 . SER 191 191 19076 1 . GLY 192 192 19076 1 . TYR 193 193 19076 1 . GLU 194 194 19076 1 . GLY 195 195 19076 1 . PRO 196 196 19076 1 . TRP 197 197 19076 1 . GLY 198 198 19076 1 . ALA 199 199 19076 1 . ALA 200 200 19076 1 . ASN 201 201 19076 1 . ASN 202 202 19076 1 . VAL 203 203 19076 1 . PHE 204 204 19076 1 . THR 205 205 19076 1 . ASN 206 206 19076 1 . GLU 207 207 19076 1 . PHE 208 208 19076 1 . TYR 209 209 19076 1 . LEU 210 210 19076 1 . ASN 211 211 19076 1 . LEU 212 212 19076 1 . LEU 213 213 19076 1 . ASN 214 214 19076 1 . GLU 215 215 19076 1 . ASP 216 216 19076 1 . TRP 217 217 19076 1 . LYS 218 218 19076 1 . LEU 219 219 19076 1 . GLU 220 220 19076 1 . LYS 221 221 19076 1 . ASN 222 222 19076 1 . ASP 223 223 19076 1 . ALA 224 224 19076 1 . ASN 225 225 19076 1 . ASN 226 226 19076 1 . GLU 227 227 19076 1 . GLN 228 228 19076 1 . TRP 229 229 19076 1 . ASP 230 230 19076 1 . SER 231 231 19076 1 . LYS 232 232 19076 1 . SER 233 233 19076 1 . GLY 234 234 19076 1 . TYR 235 235 19076 1 . MET 236 236 19076 1 . MET 237 237 19076 1 . LEU 238 238 19076 1 . PRO 239 239 19076 1 . THR 240 240 19076 1 . ASP 241 241 19076 1 . TYR 242 242 19076 1 . SER 243 243 19076 1 . LEU 244 244 19076 1 . ILE 245 245 19076 1 . GLN 246 246 19076 1 . ASP 247 247 19076 1 . PRO 248 248 19076 1 . LYS 249 249 19076 1 . TYR 250 250 19076 1 . LEU 251 251 19076 1 . SER 252 252 19076 1 . ILE 253 253 19076 1 . VAL 254 254 19076 1 . LYS 255 255 19076 1 . GLU 256 256 19076 1 . TYR 257 257 19076 1 . ALA 258 258 19076 1 . ASN 259 259 19076 1 . ASP 260 260 19076 1 . GLN 261 261 19076 1 . ASP 262 262 19076 1 . LYS 263 263 19076 1 . PHE 264 264 19076 1 . PHE 265 265 19076 1 . LYS 266 266 19076 1 . ASP 267 267 19076 1 . PHE 268 268 19076 1 . SER 269 269 19076 1 . LYS 270 270 19076 1 . ALA 271 271 19076 1 . PHE 272 272 19076 1 . GLU 273 273 19076 1 . LYS 274 274 19076 1 . LEU 275 275 19076 1 . LEU 276 276 19076 1 . GLU 277 277 19076 1 . ASN 278 278 19076 1 . GLY 279 279 19076 1 . ILE 280 280 19076 1 . THR 281 281 19076 1 . PHE 282 282 19076 1 . PRO 283 283 19076 1 . LYS 284 284 19076 1 . ASP 285 285 19076 1 . ALA 286 286 19076 1 . PRO 287 287 19076 1 . SER 288 288 19076 1 . PRO 289 289 19076 1 . PHE 290 290 19076 1 . ILE 291 291 19076 1 . PHE 292 292 19076 1 . LYS 293 293 19076 1 . THR 294 294 19076 1 . LEU 295 295 19076 1 . GLU 296 296 19076 1 . GLU 297 297 19076 1 . GLN 298 298 19076 1 . GLY 299 299 19076 1 . LEU 300 300 19076 1 stop_ save_ save_entity_HEB _Entity.Sf_category entity _Entity.Sf_framecode entity_HEB _Entity.Entry_ID 19076 _Entity.ID 2 _Entity.BMRB_code HEB _Entity.Name 'HEME B/C' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 618.503 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HEME B/C' BMRB 19076 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'HEME B/C' BMRB 19076 2 HEB 'Three letter code' 19076 2 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 1 HEB $chem_comp_HEB 19076 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 HEB C1A 19076 2 2 1 HEB C1B 19076 2 3 1 HEB C1C 19076 2 4 1 HEB C1D 19076 2 5 1 HEB C2A 19076 2 6 1 HEB C2B 19076 2 7 1 HEB C2C 19076 2 8 1 HEB C2D 19076 2 9 1 HEB C3A 19076 2 10 1 HEB C3B 19076 2 11 1 HEB C3C 19076 2 12 1 HEB C3D 19076 2 13 1 HEB C4A 19076 2 14 1 HEB C4B 19076 2 15 1 HEB C4C 19076 2 16 1 HEB C4D 19076 2 17 1 HEB CAA 19076 2 18 1 HEB CAB 19076 2 19 1 HEB CAC 19076 2 20 1 HEB CAD 19076 2 21 1 HEB CBA 19076 2 22 1 HEB CBB 19076 2 23 1 HEB CBC 19076 2 24 1 HEB CBD 19076 2 25 1 HEB CGA 19076 2 26 1 HEB CGD 19076 2 27 1 HEB CHA 19076 2 28 1 HEB CHB 19076 2 29 1 HEB CHC 19076 2 30 1 HEB CHD 19076 2 31 1 HEB CMA 19076 2 32 1 HEB CMB 19076 2 33 1 HEB CMC 19076 2 34 1 HEB CMD 19076 2 35 1 HEB FE 19076 2 36 1 HEB H2A 19076 2 37 1 HEB H2D 19076 2 38 1 HEB HAA1 19076 2 39 1 HEB HAA2 19076 2 40 1 HEB HAB 19076 2 41 1 HEB HAB2 19076 2 42 1 HEB HAC 19076 2 43 1 HEB HAD1 19076 2 44 1 HEB HAD2 19076 2 45 1 HEB HBA1 19076 2 46 1 HEB HBA2 19076 2 47 1 HEB HBB1 19076 2 48 1 HEB HBB2 19076 2 49 1 HEB HBB3 19076 2 50 1 HEB HBC1 19076 2 51 1 HEB HBC2 19076 2 52 1 HEB HBD1 19076 2 53 1 HEB HBD2 19076 2 54 1 HEB HHA 19076 2 55 1 HEB HHB 19076 2 56 1 HEB HHC 19076 2 57 1 HEB HHD 19076 2 58 1 HEB HMA1 19076 2 59 1 HEB HMA2 19076 2 60 1 HEB HMA3 19076 2 61 1 HEB HMB1 19076 2 62 1 HEB HMB2 19076 2 63 1 HEB HMB3 19076 2 64 1 HEB HMC1 19076 2 65 1 HEB HMC2 19076 2 66 1 HEB HMC3 19076 2 67 1 HEB HMD1 19076 2 68 1 HEB HMD2 19076 2 69 1 HEB HMD3 19076 2 70 1 HEB NA 19076 2 71 1 HEB NB 19076 2 72 1 HEB NC 19076 2 73 1 HEB ND 19076 2 74 1 HEB O1A 19076 2 75 1 HEB O1D 19076 2 76 1 HEB O2A 19076 2 77 1 HEB O2D 19076 2 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 19076 _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 $cytochrome_c_peroxidase . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 19076 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 19076 _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 $cytochrome_c_peroxidase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET24a(+) . . . . . . 19076 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HEB _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HEB _Chem_comp.Entry_ID 19076 _Chem_comp.ID HEB _Chem_comp.Provenance PDB _Chem_comp.Name 'HEME B/C' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HEB _Chem_comp.PDB_code HEB _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HEB _Chem_comp.Number_atoms_all 77 _Chem_comp.Number_atoms_nh 43 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h8,13-16H,2,7,9-12H2,1,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/fC34H34N4O4.Fe/h39,41H;/q-2;m/rC34H34FeN4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(40)41)31-16-32-24(10-12-34(42)43)20(6)28-15-30-22(8-2)18(4)27-14-29(21)36(25)35(37(27)30,38(26)31)39(28)32/h8,13-16H,2,7,9-12H2,1,3-6H3,(H,40,41)(H,42,43)/f/h40,42H _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE)' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H34 Fe N4 O4' _Chem_comp.Formula_weight 618.503 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'not provided' _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1QQ3 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C SMILES 'OpenEye OEToolkits' 1.5.0 19076 HEB CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19076 HEB CCC1=C(C)C2=N3|[Fe]45|N6=C(C=c7n4c(=C2)c(C)c7CCC(O)=O)C(=C(C)C6=Cc8n5c(C=C13)c(C)c8C=C)CCC(O)=O SMILES CACTVS 3.341 19076 HEB CCC1=C(C)C2=N3|[Fe]45|N6=C(C=c7n4c(=C2)c(C)c7CCC(O)=O)C(=C(C)C6=Cc8n5c(C=C13)c(C)c8C=C)CCC(O)=O SMILES_CANONICAL CACTVS 3.341 19076 HEB InChI=1/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h8,13-16H,2,7,9-12H2,1,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/fC34H34N4O4.Fe/h39,41H;/q-2;m/rC34H34FeN4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(40)41)31-16-32-24(10-12-34(42)43)20(6)28-15-30-22(8-2)18(4)27-14-29(21)36(25)35(37(27)30,38(26)31)39(28)32/h8,13-16H,2,7,9-12H2,1,3-6H3,(H,40,41)(H,42,43)/f/h40,42H InChI InChI 1.02b 19076 HEB NEGHHAJBRZGUAY-ICENSXKYDL InChIKey InChI 1.02b 19076 HEB stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID FE FE FE FE . FE . . N 0 . . . 0 no no . . . . -6.471 . 7.011 . 2.161 . . . . 1 . 19076 HEB CHA CHA CHA CHA . C . . N 0 . . . 1 yes no . . . . -9.567 . 7.713 . 3.487 . . . . 2 . 19076 HEB CHB CHB CHB CHB . C . . N 0 . . . 1 yes no . . . . -5.834 . 4.834 . 4.767 . . . . 3 . 19076 HEB CHC CHC CHC CHC . C . . N 0 . . . 1 yes no . . . . -3.429 . 6.418 . 0.822 . . . . 4 . 19076 HEB CHD CHD CHD CHD . C . . N 0 . . . 1 yes no . . . . -7.214 . 9.142 . -0.576 . . . . 5 . 19076 HEB NA NA NA 'N A' . N . . N 0 . . . 1 yes no . . . . -7.504 . 6.410 . 3.848 . . . . 6 . 19076 HEB C1A C1A C1A C1A . C . . N 0 . . . 1 yes no . . . . -8.732 . 6.861 . 4.191 . . . . 7 . 19076 HEB C2A C2A C2A C2A . C . . N 0 . . . 1 yes no . . . . -9.087 . 6.256 . 5.449 . . . . 8 . 19076 HEB C3A C3A C3A C3A . C . . N 0 . . . 1 yes no . . . . -8.074 . 5.380 . 5.782 . . . . 9 . 19076 HEB C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . -7.053 . 5.510 . 4.768 . . . . 10 . 19076 HEB CMA CMA CMA CMA . C . . N 0 . . . 1 no no . . . . -8.051 . 4.405 . 6.934 . . . . 11 . 19076 HEB CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . -10.322 . 6.609 . 6.244 . . . . 12 . 19076 HEB CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . -11.667 . 6.389 . 5.527 . . . . 13 . 19076 HEB CGA CGA CGA CGA . C . . N 0 . . . 1 no no . . . . -12.506 . 7.661 . 5.532 . . . . 14 . 19076 HEB O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . -12.517 . 8.341 . 6.581 . . . . 15 . 19076 HEB O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . -13.081 . 7.951 . 4.466 . . . . 16 . 19076 HEB NB NB NB 'N B' . N . . N 0 . . . 1 yes no . . . . -4.893 . 5.907 . 2.731 . . . . 17 . 19076 HEB C1B C1B C1B C1B . C . . N 0 . . . 1 yes no . . . . -4.846 . 5.067 . 3.807 . . . . 18 . 19076 HEB C2B C2B C2B C2B . C . . N 0 . . . 1 no no . . . . -3.564 . 4.408 . 3.778 . . . . 19 . 19076 HEB C3B C3B C3B C3B . C . . N 0 . . . 1 no no . . . . -2.878 . 4.903 . 2.689 . . . . 20 . 19076 HEB C4B C4B C4B C4B . C . . N 0 . . . 1 yes no . . . . -3.759 . 5.804 . 2.010 . . . . 21 . 19076 HEB CMB CMB CMB CMB . C . . N 0 . . . 1 no no . . . . -3.115 . 3.339 . 4.739 . . . . 22 . 19076 HEB CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . -1.460 . 4.635 . 2.259 . . . . 23 . 19076 HEB CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . -1.261 . 3.283 . 1.606 . . . . 24 . 19076 HEB NC NC NC 'N C' . N . . N 0 . . . 1 yes no . . . . -5.508 . 7.652 . 0.444 . . . . 25 . 19076 HEB C1C C1C C1C C1C . C . . N 0 . . . 1 yes no . . . . -4.244 . 7.279 . 0.147 . . . . 26 . 19076 HEB C2C C2C C2C C2C . C . . N 0 . . . 1 yes no . . . . -3.816 . 7.940 . -1.047 . . . . 27 . 19076 HEB C3C C3C C3C C3C . C . . N 0 . . . 1 yes no . . . . -4.875 . 8.720 . -1.440 . . . . 28 . 19076 HEB C4C C4C C4C C4C . C . . N 0 . . . 1 yes no . . . . -5.963 . 8.532 . -0.507 . . . . 29 . 19076 HEB CMC CMC CMC CMC . C . . N 0 . . . 1 no no . . . . -2.465 . 7.744 . -1.682 . . . . 30 . 19076 HEB CAC CAC CAC CAC . C . . N 0 . . . 1 no no . . . . -4.868 . 9.678 . -2.609 . . . . 31 . 19076 HEB CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . -4.904 . 9.203 . -3.871 . . . . 32 . 19076 HEB ND ND ND 'N D' . N . . N 0 . . . 1 yes no . . . . -8.114 . 8.165 . 1.538 . . . . 33 . 19076 HEB C1D C1D C1D C1D . C . . N 0 . . . 1 yes no . . . . -8.201 . 8.921 . 0.393 . . . . 34 . 19076 HEB C2D C2D C2D C2D . C . . N 0 . . . 1 no no . . . . -9.534 . 9.483 . 0.362 . . . . 35 . 19076 HEB C3D C3D C3D C3D . C . . N 0 . . . 1 no no . . . . -10.179 . 9.090 . 1.512 . . . . 36 . 19076 HEB C4D C4D C4D C4D . C . . N 0 . . . 1 yes no . . . . -9.267 . 8.259 . 2.249 . . . . 37 . 19076 HEB CMD CMD CMD CMD . C . . N 0 . . . 1 no no . . . . -10.121 . 10.366 . -0.705 . . . . 38 . 19076 HEB CAD CAD CAD CAD . C . . N 0 . . . 1 no no . . . . -11.573 . 9.487 . 1.948 . . . . 39 . 19076 HEB CBD CBD CBD CBD . C . . N 0 . . . 1 no no . . . . -12.657 . 8.578 . 1.374 . . . . 40 . 19076 HEB CGD CGD CGD CGD . C . . N 0 . . . 1 no no . . . . -14.054 . 9.166 . 1.513 . . . . 41 . 19076 HEB O1D O1D O1D O1D . O . . N 0 . . . 1 no no . . . . -14.143 . 10.365 . 1.858 . . . . 42 . 19076 HEB O2D O2D O2D O2D . O . . N 0 . . . 1 no no . . . . -15.007 . 8.429 . 1.185 . . . . 43 . 19076 HEB HHA HHA HHA HHA . H . . N 0 . . . 1 no no . . . . -10.527 . 7.936 . 3.906 . . . . 44 . 19076 HEB HHB HHB HHB HHB . H . . N 0 . . . 1 no no . . . . -5.630 . 4.139 . 5.562 . . . . 45 . 19076 HEB HHC HHC HHC HHC . H . . N 0 . . . 1 no no . . . . -2.486 . 6.213 . 0.361 . . . . 46 . 19076 HEB HHD HHD HHD HHD . H . . N 0 . . . 1 no no . . . . -7.419 . 9.802 . -1.404 . . . . 47 . 19076 HEB HMA1 HMA1 HMA1 1HMA . H . . N 0 . . . 0 no no . . . . -9.047 . 4.276 . 7.355 . . . . 48 . 19076 HEB HMA2 HMA2 HMA2 2HMA . H . . N 0 . . . 0 no no . . . . -7.711 . 3.433 . 6.574 . . . . 49 . 19076 HEB HMA3 HMA3 HMA3 3HMA . H . . N 0 . . . 0 no no . . . . -7.370 . 4.763 . 7.705 . . . . 50 . 19076 HEB HAA1 HAA1 HAA1 1HAA . H . . N 0 . . . 0 no no . . . . -10.346 . 6.100 . 7.206 . . . . 51 . 19076 HEB HAA2 HAA2 HAA2 2HAA . H . . N 0 . . . 0 no no . . . . -10.223 . 7.676 . 6.436 . . . . 52 . 19076 HEB HBA1 HBA1 HBA1 1HBA . H . . N 0 . . . 0 no no . . . . -12.244 . 5.635 . 6.038 . . . . 53 . 19076 HEB HBA2 HBA2 HBA2 2HBA . H . . N 0 . . . 0 no no . . . . -11.528 . 6.031 . 4.504 . . . . 54 . 19076 HEB H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . -13.604 . 8.744 . 4.469 . . . . 55 . 19076 HEB HMB1 HMB1 HMB1 1HMB . H . . N 0 . . . 0 no no . . . . -2.230 . 2.838 . 4.362 . . . . 56 . 19076 HEB HMB2 HMB2 HMB2 2HMB . H . . N 0 . . . 0 no no . . . . -2.893 . 3.786 . 5.708 . . . . 57 . 19076 HEB HMB3 HMB3 HMB3 3HMB . H . . N 0 . . . 0 no no . . . . -3.908 . 2.604 . 4.853 . . . . 58 . 19076 HEB HAB HAB HAB HAB . H . . N 0 . . . 1 no no . . . . -1.112 . 5.353 . 1.531 . . . . 59 . 19076 HEB HAB2 HAB2 HAB2 2HAB . H . . N 0 . . . 0 no no . . . . -0.759 . 4.762 . 3.117 . . . . 60 . 19076 HEB HBB1 HBB1 HBB1 1HBB . H . . N 0 . . . 0 no no . . . . -0.205 . 3.148 . 1.373 . . . . 61 . 19076 HEB HBB2 HBB2 HBB2 2HBB . H . . N 0 . . . 0 no no . . . . -1.616 . 2.477 . 2.242 . . . . 62 . 19076 HEB HBB3 HBB3 HBB3 3HBB . H . . N 0 . . . 0 no no . . . . -1.839 . 3.322 . 0.683 . . . . 63 . 19076 HEB HMC1 HMC1 HMC1 1HMC . H . . N 0 . . . 0 no no . . . . -2.250 . 6.671 . -1.771 . . . . 64 . 19076 HEB HMC2 HMC2 HMC2 2HMC . H . . N 0 . . . 0 no no . . . . -2.435 . 8.217 . -2.654 . . . . 65 . 19076 HEB HMC3 HMC3 HMC3 3HMC . H . . N 0 . . . 0 no no . . . . -1.705 . 8.188 . -1.040 . . . . 66 . 19076 HEB HAC HAC HAC HAC . H . . N 0 . . . 1 no no . . . . -5.156 . 10.703 . -2.436 . . . . 67 . 19076 HEB HBC1 HBC1 HBC1 1HBC . H . . N 0 . . . 0 no no . . . . -4.489 . 8.237 . -4.112 . . . . 68 . 19076 HEB HBC2 HBC2 HBC2 2HBC . H . . N 0 . . . 0 no no . . . . -5.291 . 9.820 . -4.664 . . . . 69 . 19076 HEB HMD1 HMD1 HMD1 1HMD . H . . N 0 . . . 0 no no . . . . -9.963 . 11.405 . -0.428 . . . . 70 . 19076 HEB HMD2 HMD2 HMD2 2HMD . H . . N 0 . . . 0 no no . . . . -9.668 . 10.168 . -1.675 . . . . 71 . 19076 HEB HMD3 HMD3 HMD3 3HMD . H . . N 0 . . . 0 no no . . . . -11.191 . 10.183 . -0.766 . . . . 72 . 19076 HEB HAD1 HAD1 HAD1 1HAD . H . . N 0 . . . 0 no no . . . . -11.685 . 9.456 . 3.037 . . . . 73 . 19076 HEB HAD2 HAD2 HAD2 2HAD . H . . N 0 . . . 0 no no . . . . -11.744 . 10.512 . 1.619 . . . . 74 . 19076 HEB HBD1 HBD1 HBD1 1HBD . H . . N 0 . . . 0 no no . . . . -12.487 . 8.446 . 0.316 . . . . 75 . 19076 HEB HBD2 HBD2 HBD2 2HBD . H . . N 0 . . . 0 no no . . . . -12.610 . 7.614 . 1.886 . . . . 76 . 19076 HEB H2D H2D H2D H2D . H . . N 0 . . . 1 no no . . . . -15.878 . 8.796 . 1.271 . . . . 77 . 19076 HEB stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING FE NA no N 1 . 19076 HEB 2 . SING FE NB no N 2 . 19076 HEB 3 . SING FE NC no N 3 . 19076 HEB 4 . SING FE ND no N 4 . 19076 HEB 5 . DOUB CHA C1A yes N 5 . 19076 HEB 6 . SING CHA C4D yes N 6 . 19076 HEB 7 . SING CHA HHA no N 7 . 19076 HEB 8 . DOUB CHB C4A yes N 8 . 19076 HEB 9 . SING CHB C1B yes N 9 . 19076 HEB 10 . SING CHB HHB no N 10 . 19076 HEB 11 . DOUB CHC C4B yes N 11 . 19076 HEB 12 . SING CHC C1C yes N 12 . 19076 HEB 13 . SING CHC HHC no N 13 . 19076 HEB 14 . SING CHD C4C yes N 14 . 19076 HEB 15 . DOUB CHD C1D yes N 15 . 19076 HEB 16 . SING CHD HHD no N 16 . 19076 HEB 17 . SING NA C1A yes N 17 . 19076 HEB 18 . SING NA C4A yes N 18 . 19076 HEB 19 . SING C1A C2A yes N 19 . 19076 HEB 20 . DOUB C2A C3A yes N 20 . 19076 HEB 21 . SING C2A CAA no N 21 . 19076 HEB 22 . SING C3A C4A yes N 22 . 19076 HEB 23 . SING C3A CMA no N 23 . 19076 HEB 24 . SING CMA HMA1 no N 24 . 19076 HEB 25 . SING CMA HMA2 no N 25 . 19076 HEB 26 . SING CMA HMA3 no N 26 . 19076 HEB 27 . SING CAA CBA no N 27 . 19076 HEB 28 . SING CAA HAA1 no N 28 . 19076 HEB 29 . SING CAA HAA2 no N 29 . 19076 HEB 30 . SING CBA CGA no N 30 . 19076 HEB 31 . SING CBA HBA1 no N 31 . 19076 HEB 32 . SING CBA HBA2 no N 32 . 19076 HEB 33 . DOUB CGA O1A no N 33 . 19076 HEB 34 . SING CGA O2A no N 34 . 19076 HEB 35 . SING O2A H2A no N 35 . 19076 HEB 36 . DOUB NB C1B yes N 36 . 19076 HEB 37 . SING NB C4B yes N 37 . 19076 HEB 38 . SING C1B C2B no N 38 . 19076 HEB 39 . DOUB C2B C3B no N 39 . 19076 HEB 40 . SING C2B CMB no N 40 . 19076 HEB 41 . SING C3B C4B no N 41 . 19076 HEB 42 . SING C3B CAB no N 42 . 19076 HEB 43 . SING CMB HMB1 no N 43 . 19076 HEB 44 . SING CMB HMB2 no N 44 . 19076 HEB 45 . SING CMB HMB3 no N 45 . 19076 HEB 46 . SING CAB CBB no N 46 . 19076 HEB 47 . SING CAB HAB no N 47 . 19076 HEB 48 . SING CAB HAB2 no N 48 . 19076 HEB 49 . SING CBB HBB1 no N 49 . 19076 HEB 50 . SING CBB HBB2 no N 50 . 19076 HEB 51 . SING CBB HBB3 no N 51 . 19076 HEB 52 . SING NC C1C yes N 52 . 19076 HEB 53 . SING NC C4C yes N 53 . 19076 HEB 54 . DOUB C1C C2C yes N 54 . 19076 HEB 55 . SING C2C C3C yes N 55 . 19076 HEB 56 . SING C2C CMC no N 56 . 19076 HEB 57 . DOUB C3C C4C yes N 57 . 19076 HEB 58 . SING C3C CAC no N 58 . 19076 HEB 59 . SING CMC HMC1 no N 59 . 19076 HEB 60 . SING CMC HMC2 no N 60 . 19076 HEB 61 . SING CMC HMC3 no N 61 . 19076 HEB 62 . DOUB CAC CBC no N 62 . 19076 HEB 63 . SING CAC HAC no N 63 . 19076 HEB 64 . SING CBC HBC1 no N 64 . 19076 HEB 65 . SING CBC HBC2 no N 65 . 19076 HEB 66 . SING ND C1D yes N 66 . 19076 HEB 67 . DOUB ND C4D yes N 67 . 19076 HEB 68 . SING C1D C2D no N 68 . 19076 HEB 69 . DOUB C2D C3D no N 69 . 19076 HEB 70 . SING C2D CMD no N 70 . 19076 HEB 71 . SING C3D C4D no N 71 . 19076 HEB 72 . SING C3D CAD no N 72 . 19076 HEB 73 . SING CMD HMD1 no N 73 . 19076 HEB 74 . SING CMD HMD2 no N 74 . 19076 HEB 75 . SING CMD HMD3 no N 75 . 19076 HEB 76 . SING CAD CBD no N 76 . 19076 HEB 77 . SING CAD HAD1 no N 77 . 19076 HEB 78 . SING CAD HAD2 no N 78 . 19076 HEB 79 . SING CBD CGD no N 79 . 19076 HEB 80 . SING CBD HBD1 no N 80 . 19076 HEB 81 . SING CBD HBD2 no N 81 . 19076 HEB 82 . DOUB CGD O1D no N 82 . 19076 HEB 83 . SING CGD O2D no N 83 . 19076 HEB 84 . SING O2D H2D no N 84 . 19076 HEB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19076 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 'cytochrome c peroxidase' '[U-13C; U-15N; U-2H]' . . 1 $cytochrome_c_peroxidase . . 1.25 . . mM . . . . 19076 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19076 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19076 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19076 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19076 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19076 _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 'ionic strength' 115 . mM 19076 1 pH 6 . pH 19076 1 pressure 1 . atm 19076 1 temperature 298 . K 19076 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19076 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19076 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Uniform NMR System' . 800 . . . 19076 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 19076 _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 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19076 1 2 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19076 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19076 1 4 '3D HN(CA)CB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19076 1 5 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19076 1 6 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19076 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19076 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19076 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19076 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19076 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19076 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19076 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 19076 1 2 '3D HNCA' . . . 19076 1 3 '3D HNCO' . . . 19076 1 4 '3D HN(CA)CB' . . . 19076 1 5 '3D HN(CO)CA' . . . 19076 1 6 '3D HN(CA)CO' . . . 19076 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 7 7 HIS C C 13 174.27 0.2 . 1 . . . . 1 HIS C . 19076 1 2 . 1 1 7 7 HIS CA C 13 55.15 0.2 . 1 . . . . 1 HIS CA . 19076 1 3 . 1 1 7 7 HIS CB C 13 29.29 0.2 . 1 . . . . 1 HIS CB . 19076 1 4 . 1 1 8 8 LYS H H 1 8.37 0.04 . 1 . . . . 2 LYS H . 19076 1 5 . 1 1 8 8 LYS C C 13 176.20 0.2 . 1 . . . . 2 LYS C . 19076 1 6 . 1 1 8 8 LYS CA C 13 55.88 0.2 . 1 . . . . 2 LYS CA . 19076 1 7 . 1 1 8 8 LYS CB C 13 32.21 0.2 . 1 . . . . 2 LYS CB . 19076 1 8 . 1 1 8 8 LYS N N 15 123.98 0.2 . 1 . . . . 2 LYS N . 19076 1 9 . 1 1 9 9 THR H H 1 8.19 0.04 . 1 . . . . 3 THR H . 19076 1 10 . 1 1 9 9 THR C C 13 173.91 0.2 . 1 . . . . 3 THR C . 19076 1 11 . 1 1 9 9 THR CA C 13 61.65 0.2 . 1 . . . . 3 THR CA . 19076 1 12 . 1 1 9 9 THR CB C 13 69.27 0.2 . 1 . . . . 3 THR CB . 19076 1 13 . 1 1 9 9 THR N N 15 118.53 0.2 . 1 . . . . 3 THR N . 19076 1 14 . 1 1 10 10 LEU H H 1 8.13 0.04 . 1 . . . . 4 LEU H . 19076 1 15 . 1 1 10 10 LEU C C 13 175.95 0.2 . 1 . . . . 4 LEU C . 19076 1 16 . 1 1 10 10 LEU CA C 13 54.52 0.2 . 1 . . . . 4 LEU CA . 19076 1 17 . 1 1 10 10 LEU CB C 13 41.40 0.2 . 1 . . . . 4 LEU CB . 19076 1 18 . 1 1 10 10 LEU N N 15 126.82 0.2 . 1 . . . . 4 LEU N . 19076 1 19 . 1 1 11 11 VAL H H 1 8.11 0.04 . 1 . . . . 5 VAL H . 19076 1 20 . 1 1 11 11 VAL C C 13 174.53 0.2 . 1 . . . . 5 VAL C . 19076 1 21 . 1 1 11 11 VAL CA C 13 60.74 0.2 . 1 . . . . 5 VAL CA . 19076 1 22 . 1 1 11 11 VAL CB C 13 32.98 0.2 . 1 . . . . 5 VAL CB . 19076 1 23 . 1 1 11 11 VAL N N 15 123.95 0.2 . 1 . . . . 5 VAL N . 19076 1 24 . 1 1 12 12 HIS H H 1 8.67 0.04 . 1 . . . . 6 HIS H . 19076 1 25 . 1 1 12 12 HIS C C 13 172.26 0.2 . 1 . . . . 6 HIS C . 19076 1 26 . 1 1 12 12 HIS CA C 13 51.68 0.2 . 1 . . . . 6 HIS CA . 19076 1 27 . 1 1 12 12 HIS CB C 13 26.91 0.2 . 1 . . . . 6 HIS CB . 19076 1 28 . 1 1 12 12 HIS N N 15 124.93 0.2 . 1 . . . . 6 HIS N . 19076 1 29 . 1 1 13 13 VAL H H 1 8.81 0.04 . 1 . . . . 7 VAL H . 19076 1 30 . 1 1 13 13 VAL C C 13 177.94 0.2 . 1 . . . . 7 VAL C . 19076 1 31 . 1 1 13 13 VAL CA C 13 61.40 0.2 . 1 . . . . 7 VAL CA . 19076 1 32 . 1 1 13 13 VAL CB C 13 31.21 0.2 . 1 . . . . 7 VAL CB . 19076 1 33 . 1 1 13 13 VAL N N 15 124.87 0.2 . 1 . . . . 7 VAL N . 19076 1 34 . 1 1 14 14 ALA H H 1 8.50 0.04 . 1 . . . . 8 ALA H . 19076 1 35 . 1 1 14 14 ALA C C 13 177.06 0.2 . 1 . . . . 8 ALA C . 19076 1 36 . 1 1 14 14 ALA CA C 13 52.27 0.2 . 1 . . . . 8 ALA CA . 19076 1 37 . 1 1 14 14 ALA CB C 13 19.57 0.2 . 1 . . . . 8 ALA CB . 19076 1 38 . 1 1 14 14 ALA N N 15 135.48 0.2 . 1 . . . . 8 ALA N . 19076 1 39 . 1 1 15 15 SER H H 1 9.48 0.04 . 1 . . . . 9 SER H . 19076 1 40 . 1 1 15 15 SER C C 13 172.78 0.2 . 1 . . . . 9 SER C . 19076 1 41 . 1 1 15 15 SER CA C 13 56.11 0.2 . 1 . . . . 9 SER CA . 19076 1 42 . 1 1 15 15 SER CB C 13 63.44 0.2 . 1 . . . . 9 SER CB . 19076 1 43 . 1 1 15 15 SER N N 15 120.73 0.2 . 1 . . . . 9 SER N . 19076 1 44 . 1 1 17 17 GLU C C 13 176.76 0.2 . 1 . . . . 11 GLU C . 19076 1 45 . 1 1 18 18 LYS H H 1 8.15 0.04 . 1 . . . . 12 LYS H . 19076 1 46 . 1 1 18 18 LYS C C 13 178.88 0.2 . 1 . . . . 12 LYS C . 19076 1 47 . 1 1 18 18 LYS CA C 13 58.14 0.2 . 1 . . . . 12 LYS CA . 19076 1 48 . 1 1 18 18 LYS CB C 13 31.45 0.2 . 1 . . . . 12 LYS CB . 19076 1 49 . 1 1 18 18 LYS N N 15 123.50 0.2 . 1 . . . . 12 LYS N . 19076 1 50 . 1 1 19 19 GLY H H 1 8.86 0.04 . 1 . . . . 13 GLY H . 19076 1 51 . 1 1 19 19 GLY CA C 13 45.14 0.2 . 1 . . . . 13 GLY CA . 19076 1 52 . 1 1 19 19 GLY N N 15 113.19 0.2 . 1 . . . . 13 GLY N . 19076 1 53 . 1 1 20 20 ARG H H 1 7.68 0.04 . 1 . . . . 14 ARG H . 19076 1 54 . 1 1 20 20 ARG C C 13 175.55 0.2 . 1 . . . . 14 ARG C . 19076 1 55 . 1 1 20 20 ARG CA C 13 52.67 0.2 . 1 . . . . 14 ARG CA . 19076 1 56 . 1 1 20 20 ARG CB C 13 29.07 0.2 . 1 . . . . 14 ARG CB . 19076 1 57 . 1 1 20 20 ARG N N 15 118.91 0.2 . 1 . . . . 14 ARG N . 19076 1 58 . 1 1 21 21 SER H H 1 9.39 0.04 . 1 . . . . 15 SER H . 19076 1 59 . 1 1 21 21 SER C C 13 174.29 0.2 . 1 . . . . 15 SER C . 19076 1 60 . 1 1 21 21 SER CA C 13 56.50 0.2 . 1 . . . . 15 SER CA . 19076 1 61 . 1 1 21 21 SER CB C 13 65.88 0.2 . 1 . . . . 15 SER CB . 19076 1 62 . 1 1 21 21 SER N N 15 118.60 0.2 . 1 . . . . 15 SER N . 19076 1 63 . 1 1 22 22 TYR H H 1 8.95 0.04 . 1 . . . . 16 TYR H . 19076 1 64 . 1 1 22 22 TYR C C 13 176.19 0.2 . 1 . . . . 16 TYR C . 19076 1 65 . 1 1 22 22 TYR CA C 13 61.42 0.2 . 1 . . . . 16 TYR CA . 19076 1 66 . 1 1 22 22 TYR CB C 13 37.80 0.2 . 1 . . . . 16 TYR CB . 19076 1 67 . 1 1 22 22 TYR N N 15 122.09 0.2 . 1 . . . . 16 TYR N . 19076 1 68 . 1 1 23 23 GLU H H 1 8.84 0.04 . 1 . . . . 17 GLU H . 19076 1 69 . 1 1 23 23 GLU C C 13 179.17 0.2 . 1 . . . . 17 GLU C . 19076 1 70 . 1 1 23 23 GLU CA C 13 59.50 0.2 . 1 . . . . 17 GLU CA . 19076 1 71 . 1 1 23 23 GLU CB C 13 28.20 0.2 . 1 . . . . 17 GLU CB . 19076 1 72 . 1 1 23 23 GLU N N 15 117.09 0.2 . 1 . . . . 17 GLU N . 19076 1 73 . 1 1 24 24 ASP H H 1 7.55 0.04 . 1 . . . . 18 ASP H . 19076 1 74 . 1 1 24 24 ASP C C 13 178.01 0.2 . 1 . . . . 18 ASP C . 19076 1 75 . 1 1 24 24 ASP CA C 13 57.41 0.2 . 1 . . . . 18 ASP CA . 19076 1 76 . 1 1 24 24 ASP CB C 13 41.40 0.2 . 1 . . . . 18 ASP CB . 19076 1 77 . 1 1 24 24 ASP N N 15 117.67 0.2 . 1 . . . . 18 ASP N . 19076 1 78 . 1 1 25 25 PHE H H 1 7.44 0.04 . 1 . . . . 19 PHE H . 19076 1 79 . 1 1 25 25 PHE CA C 13 62.27 0.2 . 1 . . . . 19 PHE CA . 19076 1 80 . 1 1 25 25 PHE CB C 13 38.73 0.2 . 1 . . . . 19 PHE CB . 19076 1 81 . 1 1 25 25 PHE N N 15 115.95 0.2 . 1 . . . . 19 PHE N . 19076 1 82 . 1 1 26 26 GLN H H 1 8.82 0.04 . 1 . . . . 20 GLN H . 19076 1 83 . 1 1 26 26 GLN C C 13 177.80 0.2 . 1 . . . . 20 GLN C . 19076 1 84 . 1 1 26 26 GLN CA C 13 57.38 0.2 . 1 . . . . 20 GLN CA . 19076 1 85 . 1 1 26 26 GLN CB C 13 27.10 0.2 . 1 . . . . 20 GLN CB . 19076 1 86 . 1 1 26 26 GLN N N 15 121.69 0.2 . 1 . . . . 20 GLN N . 19076 1 87 . 1 1 27 27 LYS H H 1 7.38 0.04 . 1 . . . . 21 LYS H . 19076 1 88 . 1 1 27 27 LYS C C 13 179.12 0.2 . 1 . . . . 21 LYS C . 19076 1 89 . 1 1 27 27 LYS CA C 13 59.77 0.2 . 1 . . . . 21 LYS CA . 19076 1 90 . 1 1 27 27 LYS CB C 13 31.22 0.2 . 1 . . . . 21 LYS CB . 19076 1 91 . 1 1 27 27 LYS N N 15 119.46 0.2 . 1 . . . . 21 LYS N . 19076 1 92 . 1 1 28 28 VAL H H 1 6.85 0.04 . 1 . . . . 22 VAL H . 19076 1 93 . 1 1 28 28 VAL CA C 13 65.39 0.2 . 1 . . . . 22 VAL CA . 19076 1 94 . 1 1 28 28 VAL N N 15 121.96 0.2 . 1 . . . . 22 VAL N . 19076 1 95 . 1 1 30 30 ASN H H 1 8.74 0.04 . 1 . . . . 24 ASN H . 19076 1 96 . 1 1 30 30 ASN C C 13 176.86 0.2 . 1 . . . . 24 ASN C . 19076 1 97 . 1 1 30 30 ASN CA C 13 54.89 0.2 . 1 . . . . 24 ASN CA . 19076 1 98 . 1 1 30 30 ASN CB C 13 36.31 0.2 . 1 . . . . 24 ASN CB . 19076 1 99 . 1 1 30 30 ASN N N 15 117.70 0.2 . 1 . . . . 24 ASN N . 19076 1 100 . 1 1 31 31 ALA H H 1 7.84 0.04 . 1 . . . . 25 ALA H . 19076 1 101 . 1 1 31 31 ALA CA C 13 54.93 0.2 . 1 . . . . 25 ALA CA . 19076 1 102 . 1 1 31 31 ALA CB C 13 18.37 0.2 . 1 . . . . 25 ALA CB . 19076 1 103 . 1 1 31 31 ALA N N 15 123.08 0.2 . 1 . . . . 25 ALA N . 19076 1 104 . 1 1 33 33 ALA H H 1 9.13 0.04 . 1 . . . . 27 ALA H . 19076 1 105 . 1 1 33 33 ALA CA C 13 54.87 0.2 . 1 . . . . 27 ALA CA . 19076 1 106 . 1 1 33 33 ALA CB C 13 18.53 0.2 . 1 . . . . 27 ALA CB . 19076 1 107 . 1 1 33 33 ALA N N 15 122.19 0.2 . 1 . . . . 27 ALA N . 19076 1 108 . 1 1 34 34 LEU H H 1 9.31 0.04 . 1 . . . . 28 LEU H . 19076 1 109 . 1 1 34 34 LEU CA C 13 57.35 0.2 . 1 . . . . 28 LEU CA . 19076 1 110 . 1 1 34 34 LEU CB C 13 40.69 0.2 . 1 . . . . 28 LEU CB . 19076 1 111 . 1 1 34 34 LEU N N 15 121.67 0.2 . 1 . . . . 28 LEU N . 19076 1 112 . 1 1 35 35 LYS H H 1 7.57 0.04 . 1 . . . . 29 LYS H . 19076 1 113 . 1 1 35 35 LYS CA C 13 59.39 0.2 . 1 . . . . 29 LYS CA . 19076 1 114 . 1 1 35 35 LYS CB C 13 30.91 0.2 . 1 . . . . 29 LYS CB . 19076 1 115 . 1 1 35 35 LYS N N 15 123.25 0.2 . 1 . . . . 29 LYS N . 19076 1 116 . 1 1 36 36 LEU H H 1 8.73 0.04 . 1 . . . . 30 LEU H . 19076 1 117 . 1 1 36 36 LEU CA C 13 56.93 0.2 . 1 . . . . 30 LEU CA . 19076 1 118 . 1 1 36 36 LEU CB C 13 41.55 0.2 . 1 . . . . 30 LEU CB . 19076 1 119 . 1 1 36 36 LEU N N 15 120.42 0.2 . 1 . . . . 30 LEU N . 19076 1 120 . 1 1 37 37 ARG H H 1 7.48 0.04 . 1 . . . . 31 ARG H . 19076 1 121 . 1 1 37 37 ARG C C 13 177.72 0.2 . 1 . . . . 31 ARG C . 19076 1 122 . 1 1 37 37 ARG CA C 13 58.22 0.2 . 1 . . . . 31 ARG CA . 19076 1 123 . 1 1 37 37 ARG CB C 13 30.78 0.2 . 1 . . . . 31 ARG CB . 19076 1 124 . 1 1 37 37 ARG N N 15 117.52 0.2 . 1 . . . . 31 ARG N . 19076 1 125 . 1 1 42 42 TYR H H 1 6.91 0.04 . 1 . . . . 36 TYR H . 19076 1 126 . 1 1 42 42 TYR C C 13 174.20 0.2 . 1 . . . . 36 TYR C . 19076 1 127 . 1 1 42 42 TYR CA C 13 58.63 0.2 . 1 . . . . 36 TYR CA . 19076 1 128 . 1 1 42 42 TYR CB C 13 40.25 0.2 . 1 . . . . 36 TYR CB . 19076 1 129 . 1 1 42 42 TYR N N 15 121.35 0.2 . 1 . . . . 36 TYR N . 19076 1 130 . 1 1 43 43 ASP H H 1 8.16 0.04 . 1 . . . . 37 ASP H . 19076 1 131 . 1 1 43 43 ASP C C 13 175.66 0.2 . 1 . . . . 37 ASP C . 19076 1 132 . 1 1 43 43 ASP CA C 13 53.28 0.2 . 1 . . . . 37 ASP CA . 19076 1 133 . 1 1 43 43 ASP CB C 13 38.69 0.2 . 1 . . . . 37 ASP CB . 19076 1 134 . 1 1 43 43 ASP N N 15 128.16 0.2 . 1 . . . . 37 ASP N . 19076 1 135 . 1 1 44 44 ASN H H 1 8.52 0.04 . 1 . . . . 38 ASN H . 19076 1 136 . 1 1 44 44 ASN C C 13 175.03 0.2 . 1 . . . . 38 ASN C . 19076 1 137 . 1 1 44 44 ASN CA C 13 54.55 0.2 . 1 . . . . 38 ASN CA . 19076 1 138 . 1 1 44 44 ASN CB C 13 36.74 0.2 . 1 . . . . 38 ASN CB . 19076 1 139 . 1 1 44 44 ASN N N 15 115.09 0.2 . 1 . . . . 38 ASN N . 19076 1 140 . 1 1 45 45 TYR H H 1 7.48 0.04 . 1 . . . . 39 TYR H . 19076 1 141 . 1 1 45 45 TYR CA C 13 60.08 0.2 . 1 . . . . 39 TYR CA . 19076 1 142 . 1 1 45 45 TYR CB C 13 33.15 0.2 . 1 . . . . 39 TYR CB . 19076 1 143 . 1 1 45 45 TYR N N 15 108.88 0.2 . 1 . . . . 39 TYR N . 19076 1 144 . 1 1 47 47 GLY H H 1 8.77 0.04 . 1 . . . . 41 GLY H . 19076 1 145 . 1 1 47 47 GLY CA C 13 44.47 0.2 . 1 . . . . 41 GLY CA . 19076 1 146 . 1 1 47 47 GLY N N 15 107.53 0.2 . 1 . . . . 41 GLY N . 19076 1 147 . 1 1 48 48 TYR H H 1 9.66 0.04 . 1 . . . . 42 TYR H . 19076 1 148 . 1 1 48 48 TYR C C 13 175.57 0.2 . 1 . . . . 42 TYR C . 19076 1 149 . 1 1 48 48 TYR CA C 13 60.21 0.2 . 1 . . . . 42 TYR CA . 19076 1 150 . 1 1 48 48 TYR CB C 13 38.93 0.2 . 1 . . . . 42 TYR CB . 19076 1 151 . 1 1 48 48 TYR N N 15 116.08 0.2 . 1 . . . . 42 TYR N . 19076 1 152 . 1 1 49 49 GLY H H 1 9.77 0.04 . 1 . . . . 43 GLY H . 19076 1 153 . 1 1 49 49 GLY CA C 13 48.91 0.2 . 1 . . . . 43 GLY CA . 19076 1 154 . 1 1 49 49 GLY N N 15 109.51 0.2 . 1 . . . . 43 GLY N . 19076 1 155 . 1 1 63 63 TRP H H 1 6.72 0.04 . 1 . . . . 57 TRP H . 19076 1 156 . 1 1 63 63 TRP C C 13 173.49 0.2 . 1 . . . . 57 TRP C . 19076 1 157 . 1 1 63 63 TRP CA C 13 58.67 0.2 . 1 . . . . 57 TRP CA . 19076 1 158 . 1 1 63 63 TRP CB C 13 27.54 0.2 . 1 . . . . 57 TRP CB . 19076 1 159 . 1 1 63 63 TRP N N 15 121.67 0.2 . 1 . . . . 57 TRP N . 19076 1 160 . 1 1 64 64 ASP H H 1 7.35 0.04 . 1 . . . . 58 ASP H . 19076 1 161 . 1 1 64 64 ASP C C 13 174.96 0.2 . 1 . . . . 58 ASP C . 19076 1 162 . 1 1 64 64 ASP CA C 13 52.07 0.2 . 1 . . . . 58 ASP CA . 19076 1 163 . 1 1 64 64 ASP CB C 13 42.11 0.2 . 1 . . . . 58 ASP CB . 19076 1 164 . 1 1 64 64 ASP N N 15 125.78 0.2 . 1 . . . . 58 ASP N . 19076 1 165 . 1 1 65 65 LYS H H 1 6.80 0.04 . 1 . . . . 59 LYS H . 19076 1 166 . 1 1 65 65 LYS C C 13 177.33 0.2 . 1 . . . . 59 LYS C . 19076 1 167 . 1 1 65 65 LYS CA C 13 56.53 0.2 . 1 . . . . 59 LYS CA . 19076 1 168 . 1 1 65 65 LYS CB C 13 31.40 0.2 . 1 . . . . 59 LYS CB . 19076 1 169 . 1 1 65 65 LYS N N 15 122.74 0.2 . 1 . . . . 59 LYS N . 19076 1 170 . 1 1 66 66 HIS H H 1 8.81 0.04 . 1 . . . . 60 HIS H . 19076 1 171 . 1 1 66 66 HIS C C 13 175.65 0.2 . 1 . . . . 60 HIS C . 19076 1 172 . 1 1 66 66 HIS CA C 13 58.50 0.2 . 1 . . . . 60 HIS CA . 19076 1 173 . 1 1 66 66 HIS CB C 13 27.19 0.2 . 1 . . . . 60 HIS CB . 19076 1 174 . 1 1 66 66 HIS N N 15 119.02 0.2 . 1 . . . . 60 HIS N . 19076 1 175 . 1 1 69 69 THR H H 1 7.56 0.04 . 1 . . . . 63 THR H . 19076 1 176 . 1 1 69 69 THR C C 13 175.64 0.2 . 1 . . . . 63 THR C . 19076 1 177 . 1 1 69 69 THR CA C 13 60.43 0.2 . 1 . . . . 63 THR CA . 19076 1 178 . 1 1 69 69 THR CB C 13 71.54 0.2 . 1 . . . . 63 THR CB . 19076 1 179 . 1 1 69 69 THR N N 15 108.27 0.2 . 1 . . . . 63 THR N . 19076 1 180 . 1 1 70 70 GLY H H 1 8.35 0.04 . 1 . . . . 64 GLY H . 19076 1 181 . 1 1 70 70 GLY CA C 13 44.28 0.2 . 1 . . . . 64 GLY CA . 19076 1 182 . 1 1 70 70 GLY N N 15 105.34 0.2 . 1 . . . . 64 GLY N . 19076 1 183 . 1 1 71 71 GLY H H 1 7.81 0.04 . 1 . . . . 65 GLY H . 19076 1 184 . 1 1 71 71 GLY CA C 13 43.63 0.2 . 1 . . . . 65 GLY CA . 19076 1 185 . 1 1 71 71 GLY N N 15 107.54 0.2 . 1 . . . . 65 GLY N . 19076 1 186 . 1 1 72 72 SER H H 1 8.49 0.04 . 1 . . . . 66 SER H . 19076 1 187 . 1 1 72 72 SER CA C 13 59.52 0.2 . 1 . . . . 66 SER CA . 19076 1 188 . 1 1 72 72 SER N N 15 111.73 0.2 . 1 . . . . 66 SER N . 19076 1 189 . 1 1 73 73 TYR H H 1 8.30 0.04 . 1 . . . . 67 TYR H . 19076 1 190 . 1 1 73 73 TYR CA C 13 62.47 0.2 . 1 . . . . 67 TYR CA . 19076 1 191 . 1 1 73 73 TYR CB C 13 37.26 0.2 . 1 . . . . 67 TYR CB . 19076 1 192 . 1 1 73 73 TYR N N 15 122.31 0.2 . 1 . . . . 67 TYR N . 19076 1 193 . 1 1 74 74 GLY H H 1 8.30 0.04 . 1 . . . . 68 GLY H . 19076 1 194 . 1 1 74 74 GLY CA C 13 45.96 0.2 . 1 . . . . 68 GLY CA . 19076 1 195 . 1 1 74 74 GLY N N 15 98.87 0.2 . 1 . . . . 68 GLY N . 19076 1 196 . 1 1 75 75 GLY H H 1 7.60 0.04 . 1 . . . . 69 GLY H . 19076 1 197 . 1 1 75 75 GLY CA C 13 46.81 0.2 . 1 . . . . 69 GLY CA . 19076 1 198 . 1 1 75 75 GLY N N 15 109.65 0.2 . 1 . . . . 69 GLY N . 19076 1 199 . 1 1 76 76 THR H H 1 7.42 0.04 . 1 . . . . 70 THR H . 19076 1 200 . 1 1 76 76 THR C C 13 173.97 0.2 . 1 . . . . 70 THR C . 19076 1 201 . 1 1 76 76 THR CA C 13 63.94 0.2 . 1 . . . . 70 THR CA . 19076 1 202 . 1 1 76 76 THR CB C 13 66.88 0.2 . 1 . . . . 70 THR CB . 19076 1 203 . 1 1 76 76 THR N N 15 111.98 0.2 . 1 . . . . 70 THR N . 19076 1 204 . 1 1 78 78 ARG H H 1 6.51 0.04 . 1 . . . . 72 ARG H . 19076 1 205 . 1 1 78 78 ARG C C 13 176.00 0.2 . 1 . . . . 72 ARG C . 19076 1 206 . 1 1 78 78 ARG CA C 13 55.48 0.2 . 1 . . . . 72 ARG CA . 19076 1 207 . 1 1 78 78 ARG CB C 13 28.36 0.2 . 1 . . . . 72 ARG CB . 19076 1 208 . 1 1 78 78 ARG N N 15 107.91 0.2 . 1 . . . . 72 ARG N . 19076 1 209 . 1 1 79 79 PHE H H 1 7.95 0.04 . 1 . . . . 73 PHE H . 19076 1 210 . 1 1 79 79 PHE C C 13 176.30 0.2 . 1 . . . . 73 PHE C . 19076 1 211 . 1 1 79 79 PHE CA C 13 57.08 0.2 . 1 . . . . 73 PHE CA . 19076 1 212 . 1 1 79 79 PHE CB C 13 37.68 0.2 . 1 . . . . 73 PHE CB . 19076 1 213 . 1 1 79 79 PHE N N 15 123.26 0.2 . 1 . . . . 73 PHE N . 19076 1 214 . 1 1 80 80 LYS H H 1 8.58 0.04 . 1 . . . . 74 LYS H . 19076 1 215 . 1 1 80 80 LYS C C 13 176.87 0.2 . 1 . . . . 74 LYS C . 19076 1 216 . 1 1 80 80 LYS CA C 13 58.62 0.2 . 1 . . . . 74 LYS CA . 19076 1 217 . 1 1 80 80 LYS CB C 13 31.48 0.2 . 1 . . . . 74 LYS CB . 19076 1 218 . 1 1 80 80 LYS N N 15 121.95 0.2 . 1 . . . . 74 LYS N . 19076 1 219 . 1 1 81 81 LYS H H 1 8.34 0.04 . 1 . . . . 75 LYS H . 19076 1 220 . 1 1 81 81 LYS C C 13 177.25 0.2 . 1 . . . . 75 LYS C . 19076 1 221 . 1 1 81 81 LYS CA C 13 59.36 0.2 . 1 . . . . 75 LYS CA . 19076 1 222 . 1 1 81 81 LYS CB C 13 31.48 0.2 . 1 . . . . 75 LYS CB . 19076 1 223 . 1 1 81 81 LYS N N 15 117.31 0.2 . 1 . . . . 75 LYS N . 19076 1 224 . 1 1 82 82 GLU H H 1 6.28 0.04 . 1 . . . . 76 GLU H . 19076 1 225 . 1 1 82 82 GLU C C 13 178.81 0.2 . 1 . . . . 76 GLU C . 19076 1 226 . 1 1 82 82 GLU CA C 13 57.08 0.2 . 1 . . . . 76 GLU CA . 19076 1 227 . 1 1 82 82 GLU CB C 13 29.42 0.2 . 1 . . . . 76 GLU CB . 19076 1 228 . 1 1 82 82 GLU N N 15 118.52 0.2 . 1 . . . . 76 GLU N . 19076 1 229 . 1 1 84 84 ASN H H 1 7.44 0.04 . 1 . . . . 78 ASN H . 19076 1 230 . 1 1 84 84 ASN C C 13 173.97 0.2 . 1 . . . . 78 ASN C . 19076 1 231 . 1 1 84 84 ASN CA C 13 52.02 0.2 . 1 . . . . 78 ASN CA . 19076 1 232 . 1 1 84 84 ASN CB C 13 37.51 0.2 . 1 . . . . 78 ASN CB . 19076 1 233 . 1 1 84 84 ASN N N 15 111.99 0.2 . 1 . . . . 78 ASN N . 19076 1 234 . 1 1 85 85 ASP H H 1 6.70 0.04 . 1 . . . . 79 ASP H . 19076 1 235 . 1 1 85 85 ASP C C 13 177.41 0.2 . 1 . . . . 79 ASP C . 19076 1 236 . 1 1 85 85 ASP CA C 13 52.00 0.2 . 1 . . . . 79 ASP CA . 19076 1 237 . 1 1 85 85 ASP CB C 13 41.00 0.2 . 1 . . . . 79 ASP CB . 19076 1 238 . 1 1 85 85 ASP N N 15 123.95 0.2 . 1 . . . . 79 ASP N . 19076 1 239 . 1 1 95 95 PHE H H 1 7.81 0.04 . 1 . . . . 89 PHE H . 19076 1 240 . 1 1 95 95 PHE C C 13 177.51 0.2 . 1 . . . . 89 PHE C . 19076 1 241 . 1 1 95 95 PHE CA C 13 61.65 0.2 . 1 . . . . 89 PHE CA . 19076 1 242 . 1 1 95 95 PHE CB C 13 38.99 0.2 . 1 . . . . 89 PHE CB . 19076 1 243 . 1 1 95 95 PHE N N 15 122.90 0.2 . 1 . . . . 89 PHE N . 19076 1 244 . 1 1 96 96 LYS H H 1 8.45 0.04 . 1 . . . . 90 LYS H . 19076 1 245 . 1 1 96 96 LYS C C 13 179.00 0.2 . 1 . . . . 90 LYS C . 19076 1 246 . 1 1 96 96 LYS CA C 13 58.31 0.2 . 1 . . . . 90 LYS CA . 19076 1 247 . 1 1 96 96 LYS CB C 13 31.07 0.2 . 1 . . . . 90 LYS CB . 19076 1 248 . 1 1 96 96 LYS N N 15 117.71 0.2 . 1 . . . . 90 LYS N . 19076 1 249 . 1 1 97 97 PHE H H 1 7.11 0.04 . 1 . . . . 91 PHE H . 19076 1 250 . 1 1 97 97 PHE C C 13 175.83 0.2 . 1 . . . . 91 PHE C . 19076 1 251 . 1 1 97 97 PHE CA C 13 60.51 0.2 . 1 . . . . 91 PHE CA . 19076 1 252 . 1 1 97 97 PHE CB C 13 37.85 0.2 . 1 . . . . 91 PHE CB . 19076 1 253 . 1 1 97 97 PHE N N 15 121.06 0.2 . 1 . . . . 91 PHE N . 19076 1 254 . 1 1 98 98 LEU H H 1 7.15 0.04 . 1 . . . . 92 LEU H . 19076 1 255 . 1 1 98 98 LEU C C 13 178.49 0.2 . 1 . . . . 92 LEU C . 19076 1 256 . 1 1 98 98 LEU CA C 13 55.08 0.2 . 1 . . . . 92 LEU CA . 19076 1 257 . 1 1 98 98 LEU CB C 13 41.88 0.2 . 1 . . . . 92 LEU CB . 19076 1 258 . 1 1 98 98 LEU N N 15 114.12 0.2 . 1 . . . . 92 LEU N . 19076 1 259 . 1 1 99 99 GLU H H 1 7.64 0.04 . 1 . . . . 93 GLU H . 19076 1 260 . 1 1 99 99 GLU C C 13 175.86 0.2 . 1 . . . . 93 GLU C . 19076 1 261 . 1 1 99 99 GLU CA C 13 61.29 0.2 . 1 . . . . 93 GLU CA . 19076 1 262 . 1 1 99 99 GLU CB C 13 26.54 0.2 . 1 . . . . 93 GLU CB . 19076 1 263 . 1 1 99 99 GLU N N 15 122.90 0.2 . 1 . . . . 93 GLU N . 19076 1 264 . 1 1 101 101 ILE H H 1 6.62 0.04 . 1 . . . . 95 ILE H . 19076 1 265 . 1 1 101 101 ILE CA C 13 62.96 0.2 . 1 . . . . 95 ILE CA . 19076 1 266 . 1 1 101 101 ILE CB C 13 35.33 0.2 . 1 . . . . 95 ILE CB . 19076 1 267 . 1 1 101 101 ILE N N 15 119.11 0.2 . 1 . . . . 95 ILE N . 19076 1 268 . 1 1 102 102 HIS C C 13 177.52 0.2 . 1 . . . . 96 HIS C . 19076 1 269 . 1 1 103 103 LYS H H 1 7.58 0.04 . 1 . . . . 97 LYS H . 19076 1 270 . 1 1 103 103 LYS C C 13 177.86 0.2 . 1 . . . . 97 LYS C . 19076 1 271 . 1 1 103 103 LYS CA C 13 57.94 0.2 . 1 . . . . 97 LYS CA . 19076 1 272 . 1 1 103 103 LYS CB C 13 31.07 0.2 . 1 . . . . 97 LYS CB . 19076 1 273 . 1 1 103 103 LYS N N 15 115.22 0.2 . 1 . . . . 97 LYS N . 19076 1 274 . 1 1 104 104 GLU H H 1 7.05 0.04 . 1 . . . . 98 GLU H . 19076 1 275 . 1 1 104 104 GLU C C 13 175.76 0.2 . 1 . . . . 98 GLU C . 19076 1 276 . 1 1 104 104 GLU CA C 13 57.20 0.2 . 1 . . . . 98 GLU CA . 19076 1 277 . 1 1 104 104 GLU CB C 13 28.57 0.2 . 1 . . . . 98 GLU CB . 19076 1 278 . 1 1 104 104 GLU N N 15 119.29 0.2 . 1 . . . . 98 GLU N . 19076 1 279 . 1 1 105 105 PHE H H 1 7.35 0.04 . 1 . . . . 99 PHE H . 19076 1 280 . 1 1 105 105 PHE C C 13 172.38 0.2 . 1 . . . . 99 PHE C . 19076 1 281 . 1 1 105 105 PHE CA C 13 53.61 0.2 . 1 . . . . 99 PHE CA . 19076 1 282 . 1 1 105 105 PHE CB C 13 37.05 0.2 . 1 . . . . 99 PHE CB . 19076 1 283 . 1 1 105 105 PHE N N 15 116.77 0.2 . 1 . . . . 99 PHE N . 19076 1 284 . 1 1 110 110 SER H H 1 10.17 0.04 . 1 . . . . 104 SER H . 19076 1 285 . 1 1 110 110 SER CA C 13 63.24 0.2 . 1 . . . . 104 SER CA . 19076 1 286 . 1 1 110 110 SER CB C 13 61.49 0.2 . 1 . . . . 104 SER CB . 19076 1 287 . 1 1 110 110 SER N N 15 120.64 0.2 . 1 . . . . 104 SER N . 19076 1 288 . 1 1 111 111 GLY H H 1 9.40 0.04 . 1 . . . . 105 GLY H . 19076 1 289 . 1 1 111 111 GLY CA C 13 45.70 0.2 . 1 . . . . 105 GLY CA . 19076 1 290 . 1 1 111 111 GLY N N 15 108.85 0.2 . 1 . . . . 105 GLY N . 19076 1 291 . 1 1 112 112 ASP H H 1 7.49 0.04 . 1 . . . . 106 ASP H . 19076 1 292 . 1 1 112 112 ASP C C 13 176.11 0.2 . 1 . . . . 106 ASP C . 19076 1 293 . 1 1 112 112 ASP CA C 13 57.78 0.2 . 1 . . . . 106 ASP CA . 19076 1 294 . 1 1 112 112 ASP CB C 13 38.12 0.2 . 1 . . . . 106 ASP CB . 19076 1 295 . 1 1 112 112 ASP N N 15 124.51 0.2 . 1 . . . . 106 ASP N . 19076 1 296 . 1 1 113 113 LEU H H 1 7.81 0.04 . 1 . . . . 107 LEU H . 19076 1 297 . 1 1 113 113 LEU C C 13 178.28 0.2 . 1 . . . . 107 LEU C . 19076 1 298 . 1 1 113 113 LEU CA C 13 57.88 0.2 . 1 . . . . 107 LEU CA . 19076 1 299 . 1 1 113 113 LEU CB C 13 39.96 0.2 . 1 . . . . 107 LEU CB . 19076 1 300 . 1 1 113 113 LEU N N 15 122.01 0.2 . 1 . . . . 107 LEU N . 19076 1 301 . 1 1 114 114 PHE H H 1 8.57 0.04 . 1 . . . . 108 PHE H . 19076 1 302 . 1 1 114 114 PHE C C 13 179.33 0.2 . 1 . . . . 108 PHE C . 19076 1 303 . 1 1 114 114 PHE CA C 13 56.98 0.2 . 1 . . . . 108 PHE CA . 19076 1 304 . 1 1 114 114 PHE CB C 13 36.76 0.2 . 1 . . . . 108 PHE CB . 19076 1 305 . 1 1 114 114 PHE N N 15 116.07 0.2 . 1 . . . . 108 PHE N . 19076 1 306 . 1 1 115 115 SER H H 1 7.80 0.04 . 1 . . . . 109 SER H . 19076 1 307 . 1 1 115 115 SER C C 13 175.96 0.2 . 1 . . . . 109 SER C . 19076 1 308 . 1 1 115 115 SER CA C 13 61.17 0.2 . 1 . . . . 109 SER CA . 19076 1 309 . 1 1 115 115 SER CB C 13 62.96 0.2 . 1 . . . . 109 SER CB . 19076 1 310 . 1 1 115 115 SER N N 15 112.49 0.2 . 1 . . . . 109 SER N . 19076 1 311 . 1 1 116 116 LEU H H 1 8.66 0.04 . 1 . . . . 110 LEU H . 19076 1 312 . 1 1 116 116 LEU CA C 13 57.08 0.2 . 1 . . . . 110 LEU CA . 19076 1 313 . 1 1 116 116 LEU N N 15 127.50 0.2 . 1 . . . . 110 LEU N . 19076 1 314 . 1 1 117 117 GLY H H 1 8.78 0.04 . 1 . . . . 111 GLY H . 19076 1 315 . 1 1 117 117 GLY CA C 13 47.64 0.2 . 1 . . . . 111 GLY CA . 19076 1 316 . 1 1 117 117 GLY N N 15 109.06 0.2 . 1 . . . . 111 GLY N . 19076 1 317 . 1 1 118 118 GLY H H 1 7.24 0.04 . 1 . . . . 112 GLY H . 19076 1 318 . 1 1 118 118 GLY CA C 13 47.36 0.2 . 1 . . . . 112 GLY CA . 19076 1 319 . 1 1 118 118 GLY N N 15 105.31 0.2 . 1 . . . . 112 GLY N . 19076 1 320 . 1 1 119 119 VAL H H 1 7.73 0.04 . 1 . . . . 113 VAL H . 19076 1 321 . 1 1 119 119 VAL C C 13 177.13 0.2 . 1 . . . . 113 VAL C . 19076 1 322 . 1 1 119 119 VAL CA C 13 67.59 0.2 . 1 . . . . 113 VAL CA . 19076 1 323 . 1 1 119 119 VAL CB C 13 31.92 0.2 . 1 . . . . 113 VAL CB . 19076 1 324 . 1 1 119 119 VAL N N 15 122.41 0.2 . 1 . . . . 113 VAL N . 19076 1 325 . 1 1 123 123 GLN H H 1 8.27 0.04 . 1 . . . . 117 GLN H . 19076 1 326 . 1 1 123 123 GLN CA C 13 59.50 0.2 . 1 . . . . 117 GLN CA . 19076 1 327 . 1 1 123 123 GLN CB C 13 27.69 0.2 . 1 . . . . 117 GLN CB . 19076 1 328 . 1 1 123 123 GLN N N 15 115.18 0.2 . 1 . . . . 117 GLN N . 19076 1 329 . 1 1 124 124 GLU H H 1 9.32 0.04 . 1 . . . . 118 GLU H . 19076 1 330 . 1 1 124 124 GLU CA C 13 57.99 0.2 . 1 . . . . 118 GLU CA . 19076 1 331 . 1 1 124 124 GLU CB C 13 28.48 0.2 . 1 . . . . 118 GLU CB . 19076 1 332 . 1 1 124 124 GLU N N 15 119.71 0.2 . 1 . . . . 118 GLU N . 19076 1 333 . 1 1 125 125 MET H H 1 7.85 0.04 . 1 . . . . 119 MET H . 19076 1 334 . 1 1 125 125 MET CA C 13 56.45 0.2 . 1 . . . . 119 MET CA . 19076 1 335 . 1 1 125 125 MET CB C 13 31.10 0.2 . 1 . . . . 119 MET CB . 19076 1 336 . 1 1 125 125 MET N N 15 120.15 0.2 . 1 . . . . 119 MET N . 19076 1 337 . 1 1 126 126 GLN H H 1 7.67 0.04 . 1 . . . . 120 GLN H . 19076 1 338 . 1 1 126 126 GLN C C 13 176.23 0.2 . 1 . . . . 120 GLN C . 19076 1 339 . 1 1 126 126 GLN CA C 13 57.25 0.2 . 1 . . . . 120 GLN CA . 19076 1 340 . 1 1 126 126 GLN CB C 13 24.34 0.2 . 1 . . . . 120 GLN CB . 19076 1 341 . 1 1 126 126 GLN N N 15 109.14 0.2 . 1 . . . . 120 GLN N . 19076 1 342 . 1 1 127 127 GLY H H 1 8.28 0.04 . 1 . . . . 121 GLY H . 19076 1 343 . 1 1 127 127 GLY CA C 13 44.53 0.2 . 1 . . . . 121 GLY CA . 19076 1 344 . 1 1 127 127 GLY N N 15 105.95 0.2 . 1 . . . . 121 GLY N . 19076 1 345 . 1 1 132 132 TRP H H 1 9.18 0.04 . 1 . . . . 126 TRP H . 19076 1 346 . 1 1 132 132 TRP C C 13 173.42 0.2 . 1 . . . . 126 TRP C . 19076 1 347 . 1 1 132 132 TRP CA C 13 56.68 0.2 . 1 . . . . 126 TRP CA . 19076 1 348 . 1 1 132 132 TRP CB C 13 31.80 0.2 . 1 . . . . 126 TRP CB . 19076 1 349 . 1 1 132 132 TRP N N 15 124.87 0.2 . 1 . . . . 126 TRP N . 19076 1 350 . 1 1 133 133 ARG H H 1 8.01 0.04 . 1 . . . . 127 ARG H . 19076 1 351 . 1 1 133 133 ARG C C 13 172.36 0.2 . 1 . . . . 127 ARG C . 19076 1 352 . 1 1 133 133 ARG CA C 13 52.84 0.2 . 1 . . . . 127 ARG CA . 19076 1 353 . 1 1 133 133 ARG CB C 13 33.15 0.2 . 1 . . . . 127 ARG CB . 19076 1 354 . 1 1 133 133 ARG N N 15 126.55 0.2 . 1 . . . . 127 ARG N . 19076 1 355 . 1 1 134 134 CYS H H 1 6.31 0.04 . 1 . . . . 128 CYS H . 19076 1 356 . 1 1 134 134 CYS C C 13 173.24 0.2 . 1 . . . . 128 CYS C . 19076 1 357 . 1 1 134 134 CYS CA C 13 53.54 0.2 . 1 . . . . 128 CYS CA . 19076 1 358 . 1 1 134 134 CYS CB C 13 31.72 0.2 . 1 . . . . 128 CYS CB . 19076 1 359 . 1 1 134 134 CYS N N 15 113.65 0.2 . 1 . . . . 128 CYS N . 19076 1 360 . 1 1 135 135 GLY H H 1 10.06 0.04 . 1 . . . . 129 GLY H . 19076 1 361 . 1 1 135 135 GLY N N 15 107.30 0.2 . 1 . . . . 129 GLY N . 19076 1 362 . 1 1 138 138 ASP H H 1 8.06 0.04 . 1 . . . . 132 ASP H . 19076 1 363 . 1 1 138 138 ASP C C 13 177.65 0.2 . 1 . . . . 132 ASP C . 19076 1 364 . 1 1 138 138 ASP CA C 13 54.50 0.2 . 1 . . . . 132 ASP CA . 19076 1 365 . 1 1 138 138 ASP CB C 13 38.06 0.2 . 1 . . . . 132 ASP CB . 19076 1 366 . 1 1 138 138 ASP N N 15 124.02 0.2 . 1 . . . . 132 ASP N . 19076 1 367 . 1 1 139 139 THR H H 1 8.51 0.04 . 1 . . . . 133 THR H . 19076 1 368 . 1 1 139 139 THR C C 13 173.93 0.2 . 1 . . . . 133 THR C . 19076 1 369 . 1 1 139 139 THR CA C 13 59.14 0.2 . 1 . . . . 133 THR CA . 19076 1 370 . 1 1 139 139 THR CB C 13 67.65 0.2 . 1 . . . . 133 THR CB . 19076 1 371 . 1 1 139 139 THR N N 15 116.91 0.2 . 1 . . . . 133 THR N . 19076 1 372 . 1 1 141 141 GLU H H 1 8.56 0.04 . 1 . . . . 135 GLU H . 19076 1 373 . 1 1 141 141 GLU C C 13 178.80 0.2 . 1 . . . . 135 GLU C . 19076 1 374 . 1 1 141 141 GLU CA C 13 59.61 0.2 . 1 . . . . 135 GLU CA . 19076 1 375 . 1 1 141 141 GLU CB C 13 28.15 0.2 . 1 . . . . 135 GLU CB . 19076 1 376 . 1 1 141 141 GLU N N 15 124.16 0.2 . 1 . . . . 135 GLU N . 19076 1 377 . 1 1 142 142 ASP H H 1 8.37 0.04 . 1 . . . . 136 ASP H . 19076 1 378 . 1 1 142 142 ASP C C 13 176.44 0.2 . 1 . . . . 136 ASP C . 19076 1 379 . 1 1 142 142 ASP CA C 13 55.04 0.2 . 1 . . . . 136 ASP CA . 19076 1 380 . 1 1 142 142 ASP CB C 13 38.46 0.2 . 1 . . . . 136 ASP CB . 19076 1 381 . 1 1 142 142 ASP N N 15 117.65 0.2 . 1 . . . . 136 ASP N . 19076 1 382 . 1 1 143 143 THR H H 1 7.86 0.04 . 1 . . . . 137 THR H . 19076 1 383 . 1 1 143 143 THR CB C 13 69.47 0.2 . 1 . . . . 137 THR CB . 19076 1 384 . 1 1 143 143 THR N N 15 110.36 0.2 . 1 . . . . 137 THR N . 19076 1 385 . 1 1 144 144 THR H H 1 7.37 0.04 . 1 . . . . 138 THR H . 19076 1 386 . 1 1 144 144 THR CA C 13 61.61 0.2 . 1 . . . . 138 THR CA . 19076 1 387 . 1 1 144 144 THR CB C 13 68.51 0.2 . 1 . . . . 138 THR CB . 19076 1 388 . 1 1 144 144 THR N N 15 123.67 0.2 . 1 . . . . 138 THR N . 19076 1 389 . 1 1 146 146 ASP H H 1 8.04 0.04 . 1 . . . . 140 ASP H . 19076 1 390 . 1 1 146 146 ASP C C 13 175.68 0.2 . 1 . . . . 140 ASP C . 19076 1 391 . 1 1 146 146 ASP CA C 13 53.93 0.2 . 1 . . . . 140 ASP CA . 19076 1 392 . 1 1 146 146 ASP CB C 13 39.76 0.2 . 1 . . . . 140 ASP CB . 19076 1 393 . 1 1 146 146 ASP N N 15 119.66 0.2 . 1 . . . . 140 ASP N . 19076 1 394 . 1 1 147 147 ASN H H 1 8.38 0.04 . 1 . . . . 141 ASN H . 19076 1 395 . 1 1 147 147 ASN C C 13 174.55 0.2 . 1 . . . . 141 ASN C . 19076 1 396 . 1 1 147 147 ASN CA C 13 52.97 0.2 . 1 . . . . 141 ASN CA . 19076 1 397 . 1 1 147 147 ASN CB C 13 38.38 0.2 . 1 . . . . 141 ASN CB . 19076 1 398 . 1 1 147 147 ASN N N 15 117.13 0.2 . 1 . . . . 141 ASN N . 19076 1 399 . 1 1 148 148 GLY H H 1 7.70 0.04 . 1 . . . . 142 GLY H . 19076 1 400 . 1 1 148 148 GLY CA C 13 44.75 0.2 . 1 . . . . 142 GLY CA . 19076 1 401 . 1 1 148 148 GLY N N 15 110.35 0.2 . 1 . . . . 142 GLY N . 19076 1 402 . 1 1 156 156 ASP H H 1 7.59 0.04 . 1 . . . . 150 ASP H . 19076 1 403 . 1 1 156 156 ASP C C 13 176.99 0.2 . 1 . . . . 150 ASP C . 19076 1 404 . 1 1 156 156 ASP CA C 13 51.77 0.2 . 1 . . . . 150 ASP CA . 19076 1 405 . 1 1 156 156 ASP CB C 13 42.62 0.2 . 1 . . . . 150 ASP CB . 19076 1 406 . 1 1 156 156 ASP N N 15 116.43 0.2 . 1 . . . . 150 ASP N . 19076 1 407 . 1 1 157 157 ALA H H 1 8.79 0.04 . 1 . . . . 151 ALA H . 19076 1 408 . 1 1 157 157 ALA C C 13 179.72 0.2 . 1 . . . . 151 ALA C . 19076 1 409 . 1 1 157 157 ALA CA C 13 55.48 0.2 . 1 . . . . 151 ALA CA . 19076 1 410 . 1 1 157 157 ALA CB C 13 19.02 0.2 . 1 . . . . 151 ALA CB . 19076 1 411 . 1 1 157 157 ALA N N 15 120.12 0.2 . 1 . . . . 151 ALA N . 19076 1 412 . 1 1 158 158 ASP H H 1 8.08 0.04 . 1 . . . . 152 ASP H . 19076 1 413 . 1 1 158 158 ASP CA C 13 57.19 0.2 . 1 . . . . 152 ASP CA . 19076 1 414 . 1 1 158 158 ASP CB C 13 40.32 0.2 . 1 . . . . 152 ASP CB . 19076 1 415 . 1 1 158 158 ASP N N 15 115.79 0.2 . 1 . . . . 152 ASP N . 19076 1 416 . 1 1 159 159 TYR H H 1 8.35 0.04 . 1 . . . . 153 TYR H . 19076 1 417 . 1 1 159 159 TYR C C 13 178.14 0.2 . 1 . . . . 153 TYR C . 19076 1 418 . 1 1 159 159 TYR CA C 13 61.84 0.2 . 1 . . . . 153 TYR CA . 19076 1 419 . 1 1 159 159 TYR CB C 13 38.14 0.2 . 1 . . . . 153 TYR CB . 19076 1 420 . 1 1 159 159 TYR N N 15 122.31 0.2 . 1 . . . . 153 TYR N . 19076 1 421 . 1 1 160 160 VAL H H 1 9.00 0.04 . 1 . . . . 154 VAL H . 19076 1 422 . 1 1 160 160 VAL CA C 13 68.78 0.2 . 1 . . . . 154 VAL CA . 19076 1 423 . 1 1 160 160 VAL N N 15 123.73 0.2 . 1 . . . . 154 VAL N . 19076 1 424 . 1 1 161 161 ARG H H 1 9.38 0.04 . 1 . . . . 155 ARG H . 19076 1 425 . 1 1 161 161 ARG CA C 13 60.41 0.2 . 1 . . . . 155 ARG CA . 19076 1 426 . 1 1 161 161 ARG CB C 13 29.28 0.2 . 1 . . . . 155 ARG CB . 19076 1 427 . 1 1 161 161 ARG N N 15 122.26 0.2 . 1 . . . . 155 ARG N . 19076 1 428 . 1 1 162 162 THR H H 1 8.63 0.04 . 1 . . . . 156 THR H . 19076 1 429 . 1 1 162 162 THR C C 13 177.68 0.2 . 1 . . . . 156 THR C . 19076 1 430 . 1 1 162 162 THR CA C 13 66.57 0.2 . 1 . . . . 156 THR CA . 19076 1 431 . 1 1 162 162 THR CB C 13 68.75 0.2 . 1 . . . . 156 THR CB . 19076 1 432 . 1 1 162 162 THR N N 15 116.53 0.2 . 1 . . . . 156 THR N . 19076 1 433 . 1 1 163 163 PHE H H 1 9.72 0.04 . 1 . . . . 157 PHE H . 19076 1 434 . 1 1 163 163 PHE CA C 13 62.09 0.2 . 1 . . . . 157 PHE CA . 19076 1 435 . 1 1 163 163 PHE CB C 13 38.64 0.2 . 1 . . . . 157 PHE CB . 19076 1 436 . 1 1 163 163 PHE N N 15 126.68 0.2 . 1 . . . . 157 PHE N . 19076 1 437 . 1 1 165 165 GLN H H 1 8.25 0.04 . 1 . . . . 159 GLN H . 19076 1 438 . 1 1 165 165 GLN CA C 13 59.30 0.2 . 1 . . . . 159 GLN CA . 19076 1 439 . 1 1 165 165 GLN CB C 13 27.05 0.2 . 1 . . . . 159 GLN CB . 19076 1 440 . 1 1 165 165 GLN N N 15 122.35 0.2 . 1 . . . . 159 GLN N . 19076 1 441 . 1 1 166 166 ARG H H 1 7.79 0.04 . 1 . . . . 160 ARG H . 19076 1 442 . 1 1 166 166 ARG C C 13 175.05 0.2 . 1 . . . . 160 ARG C . 19076 1 443 . 1 1 166 166 ARG CA C 13 58.08 0.2 . 1 . . . . 160 ARG CA . 19076 1 444 . 1 1 166 166 ARG CB C 13 29.84 0.2 . 1 . . . . 160 ARG CB . 19076 1 445 . 1 1 166 166 ARG N N 15 123.94 0.2 . 1 . . . . 160 ARG N . 19076 1 446 . 1 1 167 167 LEU H H 1 6.99 0.04 . 1 . . . . 161 LEU H . 19076 1 447 . 1 1 167 167 LEU C C 13 176.00 0.2 . 1 . . . . 161 LEU C . 19076 1 448 . 1 1 167 167 LEU CA C 13 53.71 0.2 . 1 . . . . 161 LEU CA . 19076 1 449 . 1 1 167 167 LEU CB C 13 43.18 0.2 . 1 . . . . 161 LEU CB . 19076 1 450 . 1 1 167 167 LEU N N 15 112.71 0.2 . 1 . . . . 161 LEU N . 19076 1 451 . 1 1 168 168 ASN H H 1 8.15 0.04 . 1 . . . . 162 ASN H . 19076 1 452 . 1 1 168 168 ASN C C 13 174.33 0.2 . 1 . . . . 162 ASN C . 19076 1 453 . 1 1 168 168 ASN CA C 13 53.62 0.2 . 1 . . . . 162 ASN CA . 19076 1 454 . 1 1 168 168 ASN CB C 13 37.54 0.2 . 1 . . . . 162 ASN CB . 19076 1 455 . 1 1 168 168 ASN N N 15 113.63 0.2 . 1 . . . . 162 ASN N . 19076 1 456 . 1 1 169 169 MET H H 1 7.93 0.04 . 1 . . . . 163 MET H . 19076 1 457 . 1 1 169 169 MET C C 13 176.82 0.2 . 1 . . . . 163 MET C . 19076 1 458 . 1 1 169 169 MET CA C 13 53.02 0.2 . 1 . . . . 163 MET CA . 19076 1 459 . 1 1 169 169 MET CB C 13 33.51 0.2 . 1 . . . . 163 MET CB . 19076 1 460 . 1 1 169 169 MET N N 15 114.37 0.2 . 1 . . . . 163 MET N . 19076 1 461 . 1 1 170 170 ASN H H 1 10.25 0.04 . 1 . . . . 164 ASN H . 19076 1 462 . 1 1 170 170 ASN C C 13 174.76 0.2 . 1 . . . . 164 ASN C . 19076 1 463 . 1 1 170 170 ASN CA C 13 50.74 0.2 . 1 . . . . 164 ASN CA . 19076 1 464 . 1 1 170 170 ASN CB C 13 38.63 0.2 . 1 . . . . 164 ASN CB . 19076 1 465 . 1 1 170 170 ASN N N 15 126.60 0.2 . 1 . . . . 164 ASN N . 19076 1 466 . 1 1 171 171 ASP H H 1 8.28 0.04 . 1 . . . . 165 ASP H . 19076 1 467 . 1 1 171 171 ASP C C 13 177.16 0.2 . 1 . . . . 165 ASP C . 19076 1 468 . 1 1 171 171 ASP CA C 13 57.74 0.2 . 1 . . . . 165 ASP CA . 19076 1 469 . 1 1 171 171 ASP CB C 13 40.28 0.2 . 1 . . . . 165 ASP CB . 19076 1 470 . 1 1 171 171 ASP N N 15 114.92 0.2 . 1 . . . . 165 ASP N . 19076 1 471 . 1 1 172 172 ARG H H 1 7.83 0.04 . 1 . . . . 166 ARG H . 19076 1 472 . 1 1 172 172 ARG C C 13 177.56 0.2 . 1 . . . . 166 ARG C . 19076 1 473 . 1 1 172 172 ARG CA C 13 60.20 0.2 . 1 . . . . 166 ARG CA . 19076 1 474 . 1 1 172 172 ARG CB C 13 29.38 0.2 . 1 . . . . 166 ARG CB . 19076 1 475 . 1 1 172 172 ARG N N 15 118.18 0.2 . 1 . . . . 166 ARG N . 19076 1 476 . 1 1 173 173 GLU H H 1 8.09 0.04 . 1 . . . . 167 GLU H . 19076 1 477 . 1 1 173 173 GLU CA C 13 59.46 0.2 . 1 . . . . 167 GLU CA . 19076 1 478 . 1 1 173 173 GLU CB C 13 30.12 0.2 . 1 . . . . 167 GLU CB . 19076 1 479 . 1 1 173 173 GLU N N 15 117.70 0.2 . 1 . . . . 167 GLU N . 19076 1 480 . 1 1 174 174 VAL H H 1 8.75 0.04 . 1 . . . . 168 VAL H . 19076 1 481 . 1 1 174 174 VAL CA C 13 67.72 0.2 . 1 . . . . 168 VAL CA . 19076 1 482 . 1 1 174 174 VAL N N 15 118.68 0.2 . 1 . . . . 168 VAL N . 19076 1 483 . 1 1 175 175 VAL H H 1 8.26 0.04 . 1 . . . . 169 VAL H . 19076 1 484 . 1 1 175 175 VAL CA C 13 66.83 0.2 . 1 . . . . 169 VAL CA . 19076 1 485 . 1 1 175 175 VAL N N 15 117.62 0.2 . 1 . . . . 169 VAL N . 19076 1 486 . 1 1 188 188 LEU H H 1 9.44 0.04 . 1 . . . . 182 LEU H . 19076 1 487 . 1 1 188 188 LEU CA C 13 59.97 0.2 . 1 . . . . 182 LEU CA . 19076 1 488 . 1 1 188 188 LEU CB C 13 42.30 0.2 . 1 . . . . 182 LEU CB . 19076 1 489 . 1 1 188 188 LEU N N 15 132.52 0.2 . 1 . . . . 182 LEU N . 19076 1 490 . 1 1 189 189 LYS H H 1 9.22 0.04 . 1 . . . . 183 LYS H . 19076 1 491 . 1 1 189 189 LYS C C 13 177.44 0.2 . 1 . . . . 183 LYS C . 19076 1 492 . 1 1 189 189 LYS CA C 13 57.78 0.2 . 1 . . . . 183 LYS CA . 19076 1 493 . 1 1 189 189 LYS CB C 13 31.25 0.2 . 1 . . . . 183 LYS CB . 19076 1 494 . 1 1 189 189 LYS N N 15 114.45 0.2 . 1 . . . . 183 LYS N . 19076 1 495 . 1 1 199 199 ALA H H 1 9.23 0.04 . 1 . . . . 193 ALA H . 19076 1 496 . 1 1 199 199 ALA CA C 13 52.51 0.2 . 1 . . . . 193 ALA CA . 19076 1 497 . 1 1 199 199 ALA CB C 13 19.59 0.2 . 1 . . . . 193 ALA CB . 19076 1 498 . 1 1 199 199 ALA N N 15 122.31 0.2 . 1 . . . . 193 ALA N . 19076 1 499 . 1 1 200 200 ALA H H 1 8.20 0.04 . 1 . . . . 194 ALA H . 19076 1 500 . 1 1 200 200 ALA CA C 13 51.09 0.2 . 1 . . . . 194 ALA CA . 19076 1 501 . 1 1 200 200 ALA CB C 13 16.80 0.2 . 1 . . . . 194 ALA CB . 19076 1 502 . 1 1 200 200 ALA N N 15 124.18 0.2 . 1 . . . . 194 ALA N . 19076 1 503 . 1 1 201 201 ASN H H 1 8.12 0.04 . 1 . . . . 195 ASN H . 19076 1 504 . 1 1 201 201 ASN CA C 13 54.55 0.2 . 1 . . . . 195 ASN CA . 19076 1 505 . 1 1 201 201 ASN N N 15 113.56 0.2 . 1 . . . . 195 ASN N . 19076 1 506 . 1 1 202 202 ASN H H 1 8.11 0.04 . 1 . . . . 196 ASN H . 19076 1 507 . 1 1 202 202 ASN CA C 13 51.94 0.2 . 1 . . . . 196 ASN CA . 19076 1 508 . 1 1 202 202 ASN N N 15 115.51 0.2 . 1 . . . . 196 ASN N . 19076 1 509 . 1 1 203 203 VAL H H 1 7.46 0.04 . 1 . . . . 197 VAL H . 19076 1 510 . 1 1 203 203 VAL C C 13 173.74 0.2 . 1 . . . . 197 VAL C . 19076 1 511 . 1 1 203 203 VAL CA C 13 60.81 0.2 . 1 . . . . 197 VAL CA . 19076 1 512 . 1 1 203 203 VAL CB C 13 34.02 0.2 . 1 . . . . 197 VAL CB . 19076 1 513 . 1 1 203 203 VAL N N 15 116.99 0.2 . 1 . . . . 197 VAL N . 19076 1 514 . 1 1 204 204 PHE H H 1 9.23 0.04 . 1 . . . . 198 PHE H . 19076 1 515 . 1 1 204 204 PHE C C 13 173.31 0.2 . 1 . . . . 198 PHE C . 19076 1 516 . 1 1 204 204 PHE CA C 13 59.09 0.2 . 1 . . . . 198 PHE CA . 19076 1 517 . 1 1 204 204 PHE CB C 13 38.83 0.2 . 1 . . . . 198 PHE CB . 19076 1 518 . 1 1 204 204 PHE N N 15 128.72 0.2 . 1 . . . . 198 PHE N . 19076 1 519 . 1 1 205 205 THR H H 1 6.48 0.04 . 1 . . . . 199 THR H . 19076 1 520 . 1 1 205 205 THR C C 13 172.97 0.2 . 1 . . . . 199 THR C . 19076 1 521 . 1 1 205 205 THR CA C 13 59.85 0.2 . 1 . . . . 199 THR CA . 19076 1 522 . 1 1 205 205 THR CB C 13 72.59 0.2 . 1 . . . . 199 THR CB . 19076 1 523 . 1 1 205 205 THR N N 15 117.26 0.2 . 1 . . . . 199 THR N . 19076 1 524 . 1 1 206 206 ASN H H 1 8.50 0.04 . 1 . . . . 200 ASN H . 19076 1 525 . 1 1 206 206 ASN C C 13 175.24 0.2 . 1 . . . . 200 ASN C . 19076 1 526 . 1 1 206 206 ASN CA C 13 52.25 0.2 . 1 . . . . 200 ASN CA . 19076 1 527 . 1 1 206 206 ASN CB C 13 36.35 0.2 . 1 . . . . 200 ASN CB . 19076 1 528 . 1 1 206 206 ASN N N 15 116.11 0.2 . 1 . . . . 200 ASN N . 19076 1 529 . 1 1 210 210 LEU H H 1 6.14 0.04 . 1 . . . . 204 LEU H . 19076 1 530 . 1 1 210 210 LEU C C 13 178.41 0.2 . 1 . . . . 204 LEU C . 19076 1 531 . 1 1 210 210 LEU CA C 13 56.88 0.2 . 1 . . . . 204 LEU CA . 19076 1 532 . 1 1 210 210 LEU CB C 13 40.25 0.2 . 1 . . . . 204 LEU CB . 19076 1 533 . 1 1 210 210 LEU N N 15 115.62 0.2 . 1 . . . . 204 LEU N . 19076 1 534 . 1 1 211 211 ASN H H 1 7.92 0.04 . 1 . . . . 205 ASN H . 19076 1 535 . 1 1 211 211 ASN CA C 13 54.23 0.2 . 1 . . . . 205 ASN CA . 19076 1 536 . 1 1 211 211 ASN CB C 13 34.02 0.2 . 1 . . . . 205 ASN CB . 19076 1 537 . 1 1 211 211 ASN N N 15 118.18 0.2 . 1 . . . . 205 ASN N . 19076 1 538 . 1 1 212 212 LEU H H 1 6.98 0.04 . 1 . . . . 206 LEU H . 19076 1 539 . 1 1 212 212 LEU C C 13 177.53 0.2 . 1 . . . . 206 LEU C . 19076 1 540 . 1 1 212 212 LEU CA C 13 57.48 0.2 . 1 . . . . 206 LEU CA . 19076 1 541 . 1 1 212 212 LEU CB C 13 39.74 0.2 . 1 . . . . 206 LEU CB . 19076 1 542 . 1 1 212 212 LEU N N 15 122.32 0.2 . 1 . . . . 206 LEU N . 19076 1 543 . 1 1 213 213 LEU H H 1 6.52 0.04 . 1 . . . . 207 LEU H . 19076 1 544 . 1 1 213 213 LEU C C 13 179.06 0.2 . 1 . . . . 207 LEU C . 19076 1 545 . 1 1 213 213 LEU CA C 13 55.78 0.2 . 1 . . . . 207 LEU CA . 19076 1 546 . 1 1 213 213 LEU CB C 13 41.77 0.2 . 1 . . . . 207 LEU CB . 19076 1 547 . 1 1 213 213 LEU N N 15 112.00 0.2 . 1 . . . . 207 LEU N . 19076 1 548 . 1 1 214 214 ASN H H 1 7.91 0.04 . 1 . . . . 208 ASN H . 19076 1 549 . 1 1 214 214 ASN C C 13 176.67 0.2 . 1 . . . . 208 ASN C . 19076 1 550 . 1 1 214 214 ASN CA C 13 53.94 0.2 . 1 . . . . 208 ASN CA . 19076 1 551 . 1 1 214 214 ASN CB C 13 39.30 0.2 . 1 . . . . 208 ASN CB . 19076 1 552 . 1 1 214 214 ASN N N 15 114.07 0.2 . 1 . . . . 208 ASN N . 19076 1 553 . 1 1 215 215 GLU H H 1 7.23 0.04 . 1 . . . . 209 GLU H . 19076 1 554 . 1 1 215 215 GLU C C 13 173.41 0.2 . 1 . . . . 209 GLU C . 19076 1 555 . 1 1 215 215 GLU CA C 13 54.56 0.2 . 1 . . . . 209 GLU CA . 19076 1 556 . 1 1 215 215 GLU CB C 13 28.74 0.2 . 1 . . . . 209 GLU CB . 19076 1 557 . 1 1 215 215 GLU N N 15 118.40 0.2 . 1 . . . . 209 GLU N . 19076 1 558 . 1 1 216 216 ASP H H 1 7.79 0.04 . 1 . . . . 210 ASP H . 19076 1 559 . 1 1 216 216 ASP C C 13 175.02 0.2 . 1 . . . . 210 ASP C . 19076 1 560 . 1 1 216 216 ASP CA C 13 52.17 0.2 . 1 . . . . 210 ASP CA . 19076 1 561 . 1 1 216 216 ASP CB C 13 40.14 0.2 . 1 . . . . 210 ASP CB . 19076 1 562 . 1 1 216 216 ASP N N 15 119.50 0.2 . 1 . . . . 210 ASP N . 19076 1 563 . 1 1 217 217 TRP H H 1 7.55 0.04 . 1 . . . . 211 TRP H . 19076 1 564 . 1 1 217 217 TRP C C 13 176.46 0.2 . 1 . . . . 211 TRP C . 19076 1 565 . 1 1 217 217 TRP CA C 13 55.76 0.2 . 1 . . . . 211 TRP CA . 19076 1 566 . 1 1 217 217 TRP CB C 13 32.12 0.2 . 1 . . . . 211 TRP CB . 19076 1 567 . 1 1 217 217 TRP N N 15 124.36 0.2 . 1 . . . . 211 TRP N . 19076 1 568 . 1 1 218 218 LYS H H 1 8.97 0.04 . 1 . . . . 212 LYS H . 19076 1 569 . 1 1 218 218 LYS C C 13 173.97 0.2 . 1 . . . . 212 LYS C . 19076 1 570 . 1 1 218 218 LYS CA C 13 54.62 0.2 . 1 . . . . 212 LYS CA . 19076 1 571 . 1 1 218 218 LYS CB C 13 34.93 0.2 . 1 . . . . 212 LYS CB . 19076 1 572 . 1 1 218 218 LYS N N 15 123.95 0.2 . 1 . . . . 212 LYS N . 19076 1 573 . 1 1 219 219 LEU H H 1 7.99 0.04 . 1 . . . . 213 LEU H . 19076 1 574 . 1 1 219 219 LEU C C 13 176.30 0.2 . 1 . . . . 213 LEU C . 19076 1 575 . 1 1 219 219 LEU CA C 13 54.45 0.2 . 1 . . . . 213 LEU CA . 19076 1 576 . 1 1 219 219 LEU CB C 13 39.22 0.2 . 1 . . . . 213 LEU CB . 19076 1 577 . 1 1 219 219 LEU N N 15 131.03 0.2 . 1 . . . . 213 LEU N . 19076 1 578 . 1 1 220 220 GLU H H 1 8.86 0.04 . 1 . . . . 214 GLU H . 19076 1 579 . 1 1 220 220 GLU C C 13 174.32 0.2 . 1 . . . . 214 GLU C . 19076 1 580 . 1 1 220 220 GLU CA C 13 54.06 0.2 . 1 . . . . 214 GLU CA . 19076 1 581 . 1 1 220 220 GLU CB C 13 31.71 0.2 . 1 . . . . 214 GLU CB . 19076 1 582 . 1 1 220 220 GLU N N 15 127.15 0.2 . 1 . . . . 214 GLU N . 19076 1 583 . 1 1 221 221 LYS H H 1 8.30 0.04 . 1 . . . . 215 LYS H . 19076 1 584 . 1 1 221 221 LYS C C 13 177.13 0.2 . 1 . . . . 215 LYS C . 19076 1 585 . 1 1 221 221 LYS CA C 13 55.27 0.2 . 1 . . . . 215 LYS CA . 19076 1 586 . 1 1 221 221 LYS CB C 13 32.72 0.2 . 1 . . . . 215 LYS CB . 19076 1 587 . 1 1 221 221 LYS N N 15 120.04 0.2 . 1 . . . . 215 LYS N . 19076 1 588 . 1 1 222 222 ASN H H 1 8.66 0.04 . 1 . . . . 216 ASN H . 19076 1 589 . 1 1 222 222 ASN C C 13 178.33 0.2 . 1 . . . . 216 ASN C . 19076 1 590 . 1 1 222 222 ASN CA C 13 50.71 0.2 . 1 . . . . 216 ASN CA . 19076 1 591 . 1 1 222 222 ASN CB C 13 38.91 0.2 . 1 . . . . 216 ASN CB . 19076 1 592 . 1 1 222 222 ASN N N 15 122.88 0.2 . 1 . . . . 216 ASN N . 19076 1 593 . 1 1 223 223 ASP H H 1 8.87 0.04 . 1 . . . . 217 ASP H . 19076 1 594 . 1 1 223 223 ASP C C 13 176.97 0.2 . 1 . . . . 217 ASP C . 19076 1 595 . 1 1 223 223 ASP CA C 13 56.61 0.2 . 1 . . . . 217 ASP CA . 19076 1 596 . 1 1 223 223 ASP CB C 13 40.18 0.2 . 1 . . . . 217 ASP CB . 19076 1 597 . 1 1 223 223 ASP N N 15 117.63 0.2 . 1 . . . . 217 ASP N . 19076 1 598 . 1 1 224 224 ALA H H 1 8.34 0.04 . 1 . . . . 218 ALA H . 19076 1 599 . 1 1 224 224 ALA CA C 13 51.33 0.2 . 1 . . . . 218 ALA CA . 19076 1 600 . 1 1 224 224 ALA CB C 13 17.77 0.2 . 1 . . . . 218 ALA CB . 19076 1 601 . 1 1 224 224 ALA N N 15 122.74 0.2 . 1 . . . . 218 ALA N . 19076 1 602 . 1 1 225 225 ASN H H 1 8.37 0.04 . 1 . . . . 219 ASN H . 19076 1 603 . 1 1 225 225 ASN CA C 13 54.51 0.2 . 1 . . . . 219 ASN CA . 19076 1 604 . 1 1 225 225 ASN CB C 13 37.01 0.2 . 1 . . . . 219 ASN CB . 19076 1 605 . 1 1 225 225 ASN N N 15 112.92 0.2 . 1 . . . . 219 ASN N . 19076 1 606 . 1 1 226 226 ASN H H 1 7.69 0.04 . 1 . . . . 220 ASN H . 19076 1 607 . 1 1 226 226 ASN C C 13 174.63 0.2 . 1 . . . . 220 ASN C . 19076 1 608 . 1 1 226 226 ASN CA C 13 51.59 0.2 . 1 . . . . 220 ASN CA . 19076 1 609 . 1 1 226 226 ASN CB C 13 40.05 0.2 . 1 . . . . 220 ASN CB . 19076 1 610 . 1 1 226 226 ASN N N 15 115.82 0.2 . 1 . . . . 220 ASN N . 19076 1 611 . 1 1 227 227 GLU H H 1 8.52 0.04 . 1 . . . . 221 GLU H . 19076 1 612 . 1 1 227 227 GLU C C 13 175.45 0.2 . 1 . . . . 221 GLU C . 19076 1 613 . 1 1 227 227 GLU CA C 13 55.61 0.2 . 1 . . . . 221 GLU CA . 19076 1 614 . 1 1 227 227 GLU CB C 13 29.40 0.2 . 1 . . . . 221 GLU CB . 19076 1 615 . 1 1 227 227 GLU N N 15 120.10 0.2 . 1 . . . . 221 GLU N . 19076 1 616 . 1 1 228 228 GLN H H 1 8.86 0.04 . 1 . . . . 222 GLN H . 19076 1 617 . 1 1 228 228 GLN C C 13 171.78 0.2 . 1 . . . . 222 GLN C . 19076 1 618 . 1 1 228 228 GLN CA C 13 53.72 0.2 . 1 . . . . 222 GLN CA . 19076 1 619 . 1 1 228 228 GLN CB C 13 31.82 0.2 . 1 . . . . 222 GLN CB . 19076 1 620 . 1 1 228 228 GLN N N 15 117.62 0.2 . 1 . . . . 222 GLN N . 19076 1 621 . 1 1 229 229 TRP H H 1 8.02 0.04 . 1 . . . . 223 TRP H . 19076 1 622 . 1 1 229 229 TRP C C 13 174.42 0.2 . 1 . . . . 223 TRP C . 19076 1 623 . 1 1 229 229 TRP CA C 13 55.46 0.2 . 1 . . . . 223 TRP CA . 19076 1 624 . 1 1 229 229 TRP CB C 13 28.39 0.2 . 1 . . . . 223 TRP CB . 19076 1 625 . 1 1 229 229 TRP N N 15 123.20 0.2 . 1 . . . . 223 TRP N . 19076 1 626 . 1 1 230 230 ASP H H 1 9.27 0.04 . 1 . . . . 224 ASP H . 19076 1 627 . 1 1 230 230 ASP C C 13 176.33 0.2 . 1 . . . . 224 ASP C . 19076 1 628 . 1 1 230 230 ASP CA C 13 51.76 0.2 . 1 . . . . 224 ASP CA . 19076 1 629 . 1 1 230 230 ASP CB C 13 42.30 0.2 . 1 . . . . 224 ASP CB . 19076 1 630 . 1 1 230 230 ASP N N 15 120.07 0.2 . 1 . . . . 224 ASP N . 19076 1 631 . 1 1 231 231 SER H H 1 8.54 0.04 . 1 . . . . 225 SER H . 19076 1 632 . 1 1 231 231 SER C C 13 176.84 0.2 . 1 . . . . 225 SER C . 19076 1 633 . 1 1 231 231 SER CA C 13 54.51 0.2 . 1 . . . . 225 SER CA . 19076 1 634 . 1 1 231 231 SER CB C 13 64.81 0.2 . 1 . . . . 225 SER CB . 19076 1 635 . 1 1 231 231 SER N N 15 118.43 0.2 . 1 . . . . 225 SER N . 19076 1 636 . 1 1 232 232 LYS H H 1 8.45 0.04 . 1 . . . . 226 LYS H . 19076 1 637 . 1 1 232 232 LYS C C 13 177.47 0.2 . 1 . . . . 226 LYS C . 19076 1 638 . 1 1 232 232 LYS CA C 13 57.69 0.2 . 1 . . . . 226 LYS CA . 19076 1 639 . 1 1 232 232 LYS CB C 13 30.47 0.2 . 1 . . . . 226 LYS CB . 19076 1 640 . 1 1 232 232 LYS N N 15 124.60 0.2 . 1 . . . . 226 LYS N . 19076 1 641 . 1 1 233 233 SER H H 1 7.15 0.04 . 1 . . . . 227 SER H . 19076 1 642 . 1 1 233 233 SER C C 13 172.90 0.2 . 1 . . . . 227 SER C . 19076 1 643 . 1 1 233 233 SER CA C 13 57.30 0.2 . 1 . . . . 227 SER CA . 19076 1 644 . 1 1 233 233 SER CB C 13 61.30 0.2 . 1 . . . . 227 SER CB . 19076 1 645 . 1 1 233 233 SER N N 15 112.61 0.2 . 1 . . . . 227 SER N . 19076 1 646 . 1 1 234 234 GLY H H 1 7.38 0.04 . 1 . . . . 228 GLY H . 19076 1 647 . 1 1 234 234 GLY C C 13 173.85 0.2 . 1 . . . . 228 GLY C . 19076 1 648 . 1 1 234 234 GLY CA C 13 44.01 0.2 . 1 . . . . 228 GLY CA . 19076 1 649 . 1 1 234 234 GLY N N 15 106.23 0.2 . 1 . . . . 228 GLY N . 19076 1 650 . 1 1 235 235 TYR H H 1 6.04 0.04 . 1 . . . . 229 TYR H . 19076 1 651 . 1 1 235 235 TYR C C 13 174.20 0.2 . 1 . . . . 229 TYR C . 19076 1 652 . 1 1 235 235 TYR CA C 13 51.95 0.2 . 1 . . . . 229 TYR CA . 19076 1 653 . 1 1 235 235 TYR CB C 13 38.32 0.2 . 1 . . . . 229 TYR CB . 19076 1 654 . 1 1 235 235 TYR N N 15 119.58 0.2 . 1 . . . . 229 TYR N . 19076 1 655 . 1 1 236 236 MET H H 1 8.35 0.04 . 1 . . . . 230 MET H . 19076 1 656 . 1 1 236 236 MET CA C 13 52.57 0.2 . 1 . . . . 230 MET CA . 19076 1 657 . 1 1 236 236 MET N N 15 123.38 0.2 . 1 . . . . 230 MET N . 19076 1 658 . 1 1 237 237 MET H H 1 7.87 0.04 . 1 . . . . 231 MET H . 19076 1 659 . 1 1 237 237 MET CA C 13 51.76 0.2 . 1 . . . . 231 MET CA . 19076 1 660 . 1 1 237 237 MET N N 15 111.83 0.2 . 1 . . . . 231 MET N . 19076 1 661 . 1 1 243 243 SER H H 1 7.48 0.04 . 1 . . . . 237 SER H . 19076 1 662 . 1 1 243 243 SER N N 15 113.56 0.2 . 1 . . . . 237 SER N . 19076 1 663 . 1 1 244 244 LEU H H 1 6.98 0.04 . 1 . . . . 238 LEU H . 19076 1 664 . 1 1 244 244 LEU CA C 13 55.78 0.2 . 1 . . . . 238 LEU CA . 19076 1 665 . 1 1 244 244 LEU N N 15 120.08 0.2 . 1 . . . . 238 LEU N . 19076 1 666 . 1 1 245 245 ILE H H 1 6.67 0.04 . 1 . . . . 239 ILE H . 19076 1 667 . 1 1 245 245 ILE C C 13 176.88 0.2 . 1 . . . . 239 ILE C . 19076 1 668 . 1 1 245 245 ILE CA C 13 59.22 0.2 . 1 . . . . 239 ILE CA . 19076 1 669 . 1 1 245 245 ILE CB C 13 36.56 0.2 . 1 . . . . 239 ILE CB . 19076 1 670 . 1 1 245 245 ILE N N 15 101.99 0.2 . 1 . . . . 239 ILE N . 19076 1 671 . 1 1 246 246 GLN H H 1 7.00 0.04 . 1 . . . . 240 GLN H . 19076 1 672 . 1 1 246 246 GLN C C 13 175.83 0.2 . 1 . . . . 240 GLN C . 19076 1 673 . 1 1 246 246 GLN CA C 13 55.72 0.2 . 1 . . . . 240 GLN CA . 19076 1 674 . 1 1 246 246 GLN CB C 13 29.14 0.2 . 1 . . . . 240 GLN CB . 19076 1 675 . 1 1 246 246 GLN N N 15 120.44 0.2 . 1 . . . . 240 GLN N . 19076 1 676 . 1 1 247 247 ASP H H 1 7.20 0.04 . 1 . . . . 241 ASP H . 19076 1 677 . 1 1 247 247 ASP C C 13 173.78 0.2 . 1 . . . . 241 ASP C . 19076 1 678 . 1 1 247 247 ASP CA C 13 50.41 0.2 . 1 . . . . 241 ASP CA . 19076 1 679 . 1 1 247 247 ASP CB C 13 43.90 0.2 . 1 . . . . 241 ASP CB . 19076 1 680 . 1 1 247 247 ASP N N 15 122.74 0.2 . 1 . . . . 241 ASP N . 19076 1 681 . 1 1 248 248 PRO C C 13 179.38 0.2 . 1 . . . . 242 PRO C . 19076 1 682 . 1 1 248 248 PRO CA C 13 64.56 0.2 . 1 . . . . 242 PRO CA . 19076 1 683 . 1 1 248 248 PRO CB C 13 30.76 0.2 . 1 . . . . 242 PRO CB . 19076 1 684 . 1 1 249 249 LYS H H 1 7.44 0.04 . 1 . . . . 243 LYS H . 19076 1 685 . 1 1 249 249 LYS C C 13 180.37 0.2 . 1 . . . . 243 LYS C . 19076 1 686 . 1 1 249 249 LYS CA C 13 58.20 0.2 . 1 . . . . 243 LYS CA . 19076 1 687 . 1 1 249 249 LYS CB C 13 30.89 0.2 . 1 . . . . 243 LYS CB . 19076 1 688 . 1 1 249 249 LYS N N 15 118.67 0.2 . 1 . . . . 243 LYS N . 19076 1 689 . 1 1 250 250 TYR H H 1 8.45 0.04 . 1 . . . . 244 TYR H . 19076 1 690 . 1 1 250 250 TYR C C 13 178.89 0.2 . 1 . . . . 244 TYR C . 19076 1 691 . 1 1 250 250 TYR CA C 13 57.15 0.2 . 1 . . . . 244 TYR CA . 19076 1 692 . 1 1 250 250 TYR CB C 13 36.65 0.2 . 1 . . . . 244 TYR CB . 19076 1 693 . 1 1 250 250 TYR N N 15 121.02 0.2 . 1 . . . . 244 TYR N . 19076 1 694 . 1 1 251 251 LEU H H 1 8.55 0.04 . 1 . . . . 245 LEU H . 19076 1 695 . 1 1 251 251 LEU C C 13 178.03 0.2 . 1 . . . . 245 LEU C . 19076 1 696 . 1 1 251 251 LEU CA C 13 57.82 0.2 . 1 . . . . 245 LEU CA . 19076 1 697 . 1 1 251 251 LEU CB C 13 40.33 0.2 . 1 . . . . 245 LEU CB . 19076 1 698 . 1 1 251 251 LEU N N 15 121.96 0.2 . 1 . . . . 245 LEU N . 19076 1 699 . 1 1 252 252 SER H H 1 6.90 0.04 . 1 . . . . 246 SER H . 19076 1 700 . 1 1 252 252 SER C C 13 176.41 0.2 . 1 . . . . 246 SER C . 19076 1 701 . 1 1 252 252 SER CA C 13 60.94 0.2 . 1 . . . . 246 SER CA . 19076 1 702 . 1 1 252 252 SER CB C 13 62.42 0.2 . 1 . . . . 246 SER CB . 19076 1 703 . 1 1 252 252 SER N N 15 109.86 0.2 . 1 . . . . 246 SER N . 19076 1 704 . 1 1 253 253 ILE H H 1 7.08 0.04 . 1 . . . . 247 ILE H . 19076 1 705 . 1 1 253 253 ILE CA C 13 63.86 0.2 . 1 . . . . 247 ILE CA . 19076 1 706 . 1 1 253 253 ILE CB C 13 37.15 0.2 . 1 . . . . 247 ILE CB . 19076 1 707 . 1 1 253 253 ILE N N 15 123.33 0.2 . 1 . . . . 247 ILE N . 19076 1 708 . 1 1 254 254 VAL H H 1 8.15 0.04 . 1 . . . . 248 VAL H . 19076 1 709 . 1 1 254 254 VAL CA C 13 65.99 0.2 . 1 . . . . 248 VAL CA . 19076 1 710 . 1 1 254 254 VAL CB C 13 30.25 0.2 . 1 . . . . 248 VAL CB . 19076 1 711 . 1 1 254 254 VAL N N 15 121.94 0.2 . 1 . . . . 248 VAL N . 19076 1 712 . 1 1 255 255 LYS H H 1 7.76 0.04 . 1 . . . . 249 LYS H . 19076 1 713 . 1 1 255 255 LYS C C 13 178.82 0.2 . 1 . . . . 249 LYS C . 19076 1 714 . 1 1 255 255 LYS CA C 13 59.35 0.2 . 1 . . . . 249 LYS CA . 19076 1 715 . 1 1 255 255 LYS CB C 13 31.67 0.2 . 1 . . . . 249 LYS CB . 19076 1 716 . 1 1 255 255 LYS N N 15 115.21 0.2 . 1 . . . . 249 LYS N . 19076 1 717 . 1 1 256 256 GLU H H 1 6.93 0.04 . 1 . . . . 250 GLU H . 19076 1 718 . 1 1 256 256 GLU C C 13 179.94 0.2 . 1 . . . . 250 GLU C . 19076 1 719 . 1 1 256 256 GLU CA C 13 58.82 0.2 . 1 . . . . 250 GLU CA . 19076 1 720 . 1 1 256 256 GLU CB C 13 28.95 0.2 . 1 . . . . 250 GLU CB . 19076 1 721 . 1 1 256 256 GLU N N 15 120.11 0.2 . 1 . . . . 250 GLU N . 19076 1 722 . 1 1 257 257 TYR H H 1 7.37 0.04 . 1 . . . . 251 TYR H . 19076 1 723 . 1 1 257 257 TYR C C 13 178.47 0.2 . 1 . . . . 251 TYR C . 19076 1 724 . 1 1 257 257 TYR CA C 13 55.11 0.2 . 1 . . . . 251 TYR CA . 19076 1 725 . 1 1 257 257 TYR CB C 13 34.86 0.2 . 1 . . . . 251 TYR CB . 19076 1 726 . 1 1 257 257 TYR N N 15 119.47 0.2 . 1 . . . . 251 TYR N . 19076 1 727 . 1 1 258 258 ALA H H 1 8.09 0.04 . 1 . . . . 252 ALA H . 19076 1 728 . 1 1 258 258 ALA C C 13 177.33 0.2 . 1 . . . . 252 ALA C . 19076 1 729 . 1 1 258 258 ALA CA C 13 53.96 0.2 . 1 . . . . 252 ALA CA . 19076 1 730 . 1 1 258 258 ALA CB C 13 17.51 0.2 . 1 . . . . 252 ALA CB . 19076 1 731 . 1 1 258 258 ALA N N 15 121.28 0.2 . 1 . . . . 252 ALA N . 19076 1 732 . 1 1 259 259 ASN H H 1 6.94 0.04 . 1 . . . . 253 ASN H . 19076 1 733 . 1 1 259 259 ASN C C 13 174.82 0.2 . 1 . . . . 253 ASN C . 19076 1 734 . 1 1 259 259 ASN CA C 13 53.49 0.2 . 1 . . . . 253 ASN CA . 19076 1 735 . 1 1 259 259 ASN CB C 13 39.53 0.2 . 1 . . . . 253 ASN CB . 19076 1 736 . 1 1 259 259 ASN N N 15 112.00 0.2 . 1 . . . . 253 ASN N . 19076 1 737 . 1 1 260 260 ASP H H 1 7.39 0.04 . 1 . . . . 254 ASP H . 19076 1 738 . 1 1 260 260 ASP C C 13 174.04 0.2 . 1 . . . . 254 ASP C . 19076 1 739 . 1 1 260 260 ASP CA C 13 52.61 0.2 . 1 . . . . 254 ASP CA . 19076 1 740 . 1 1 260 260 ASP CB C 13 41.01 0.2 . 1 . . . . 254 ASP CB . 19076 1 741 . 1 1 260 260 ASP N N 15 120.10 0.2 . 1 . . . . 254 ASP N . 19076 1 742 . 1 1 261 261 GLN H H 1 8.91 0.04 . 1 . . . . 255 GLN H . 19076 1 743 . 1 1 261 261 GLN C C 13 176.72 0.2 . 1 . . . . 255 GLN C . 19076 1 744 . 1 1 261 261 GLN CA C 13 59.14 0.2 . 1 . . . . 255 GLN CA . 19076 1 745 . 1 1 261 261 GLN CB C 13 29.43 0.2 . 1 . . . . 255 GLN CB . 19076 1 746 . 1 1 261 261 GLN N N 15 125.71 0.2 . 1 . . . . 255 GLN N . 19076 1 747 . 1 1 262 262 ASP H H 1 8.01 0.04 . 1 . . . . 256 ASP H . 19076 1 748 . 1 1 262 262 ASP C C 13 178.46 0.2 . 1 . . . . 256 ASP C . 19076 1 749 . 1 1 262 262 ASP CA C 13 57.42 0.2 . 1 . . . . 256 ASP CA . 19076 1 750 . 1 1 262 262 ASP CB C 13 40.25 0.2 . 1 . . . . 256 ASP CB . 19076 1 751 . 1 1 262 262 ASP N N 15 118.73 0.2 . 1 . . . . 256 ASP N . 19076 1 752 . 1 1 263 263 LYS H H 1 7.53 0.04 . 1 . . . . 257 LYS H . 19076 1 753 . 1 1 263 263 LYS C C 13 178.06 0.2 . 1 . . . . 257 LYS C . 19076 1 754 . 1 1 263 263 LYS CA C 13 58.19 0.2 . 1 . . . . 257 LYS CA . 19076 1 755 . 1 1 263 263 LYS CB C 13 31.30 0.2 . 1 . . . . 257 LYS CB . 19076 1 756 . 1 1 263 263 LYS N N 15 121.94 0.2 . 1 . . . . 257 LYS N . 19076 1 757 . 1 1 264 264 PHE H H 1 7.28 0.04 . 1 . . . . 258 PHE H . 19076 1 758 . 1 1 264 264 PHE C C 13 176.01 0.2 . 1 . . . . 258 PHE C . 19076 1 759 . 1 1 264 264 PHE CA C 13 58.30 0.2 . 1 . . . . 258 PHE CA . 19076 1 760 . 1 1 264 264 PHE CB C 13 36.79 0.2 . 1 . . . . 258 PHE CB . 19076 1 761 . 1 1 264 264 PHE N N 15 118.38 0.2 . 1 . . . . 258 PHE N . 19076 1 762 . 1 1 265 265 PHE H H 1 8.90 0.04 . 1 . . . . 259 PHE H . 19076 1 763 . 1 1 265 265 PHE C C 13 178.38 0.2 . 1 . . . . 259 PHE C . 19076 1 764 . 1 1 265 265 PHE CA C 13 59.78 0.2 . 1 . . . . 259 PHE CA . 19076 1 765 . 1 1 265 265 PHE CB C 13 36.67 0.2 . 1 . . . . 259 PHE CB . 19076 1 766 . 1 1 265 265 PHE N N 15 121.04 0.2 . 1 . . . . 259 PHE N . 19076 1 767 . 1 1 266 266 LYS H H 1 7.91 0.04 . 1 . . . . 260 LYS H . 19076 1 768 . 1 1 266 266 LYS C C 13 179.97 0.2 . 1 . . . . 260 LYS C . 19076 1 769 . 1 1 266 266 LYS CA C 13 59.27 0.2 . 1 . . . . 260 LYS CA . 19076 1 770 . 1 1 266 266 LYS CB C 13 31.72 0.2 . 1 . . . . 260 LYS CB . 19076 1 771 . 1 1 266 266 LYS N N 15 118.96 0.2 . 1 . . . . 260 LYS N . 19076 1 772 . 1 1 267 267 ASP H H 1 8.41 0.04 . 1 . . . . 261 ASP H . 19076 1 773 . 1 1 267 267 ASP C C 13 180.14 0.2 . 1 . . . . 261 ASP C . 19076 1 774 . 1 1 267 267 ASP CA C 13 56.89 0.2 . 1 . . . . 261 ASP CA . 19076 1 775 . 1 1 267 267 ASP CB C 13 38.45 0.2 . 1 . . . . 261 ASP CB . 19076 1 776 . 1 1 267 267 ASP N N 15 121.85 0.2 . 1 . . . . 261 ASP N . 19076 1 777 . 1 1 268 268 PHE H H 1 9.91 0.04 . 1 . . . . 262 PHE H . 19076 1 778 . 1 1 268 268 PHE C C 13 176.77 0.2 . 1 . . . . 262 PHE C . 19076 1 779 . 1 1 268 268 PHE CA C 13 63.04 0.2 . 1 . . . . 262 PHE CA . 19076 1 780 . 1 1 268 268 PHE CB C 13 38.45 0.2 . 1 . . . . 262 PHE CB . 19076 1 781 . 1 1 268 268 PHE N N 15 123.67 0.2 . 1 . . . . 262 PHE N . 19076 1 782 . 1 1 269 269 SER H H 1 8.42 0.04 . 1 . . . . 263 SER H . 19076 1 783 . 1 1 269 269 SER C C 13 176.72 0.2 . 1 . . . . 263 SER C . 19076 1 784 . 1 1 269 269 SER CA C 13 61.53 0.2 . 1 . . . . 263 SER CA . 19076 1 785 . 1 1 269 269 SER CB C 13 62.51 0.2 . 1 . . . . 263 SER CB . 19076 1 786 . 1 1 269 269 SER N N 15 113.10 0.2 . 1 . . . . 263 SER N . 19076 1 787 . 1 1 270 270 LYS H H 1 7.31 0.04 . 1 . . . . 264 LYS H . 19076 1 788 . 1 1 270 270 LYS C C 13 179.91 0.2 . 1 . . . . 264 LYS C . 19076 1 789 . 1 1 270 270 LYS CA C 13 58.73 0.2 . 1 . . . . 264 LYS CA . 19076 1 790 . 1 1 270 270 LYS CB C 13 32.25 0.2 . 1 . . . . 264 LYS CB . 19076 1 791 . 1 1 270 270 LYS N N 15 117.54 0.2 . 1 . . . . 264 LYS N . 19076 1 792 . 1 1 271 271 ALA H H 1 8.34 0.04 . 1 . . . . 265 ALA H . 19076 1 793 . 1 1 271 271 ALA CA C 13 55.19 0.2 . 1 . . . . 265 ALA CA . 19076 1 794 . 1 1 271 271 ALA CB C 13 17.77 0.2 . 1 . . . . 265 ALA CB . 19076 1 795 . 1 1 271 271 ALA N N 15 123.28 0.2 . 1 . . . . 265 ALA N . 19076 1 796 . 1 1 272 272 PHE H H 1 9.76 0.04 . 1 . . . . 266 PHE H . 19076 1 797 . 1 1 272 272 PHE CA C 13 60.34 0.2 . 1 . . . . 266 PHE CA . 19076 1 798 . 1 1 272 272 PHE N N 15 120.71 0.2 . 1 . . . . 266 PHE N . 19076 1 799 . 1 1 273 273 GLU H H 1 8.17 0.04 . 1 . . . . 267 GLU H . 19076 1 800 . 1 1 273 273 GLU C C 13 177.50 0.2 . 1 . . . . 267 GLU C . 19076 1 801 . 1 1 273 273 GLU CA C 13 59.90 0.2 . 1 . . . . 267 GLU CA . 19076 1 802 . 1 1 273 273 GLU CB C 13 25.86 0.2 . 1 . . . . 267 GLU CB . 19076 1 803 . 1 1 273 273 GLU N N 15 117.85 0.2 . 1 . . . . 267 GLU N . 19076 1 804 . 1 1 274 274 LYS H H 1 7.82 0.04 . 1 . . . . 268 LYS H . 19076 1 805 . 1 1 274 274 LYS C C 13 179.22 0.2 . 1 . . . . 268 LYS C . 19076 1 806 . 1 1 274 274 LYS CA C 13 59.38 0.2 . 1 . . . . 268 LYS CA . 19076 1 807 . 1 1 274 274 LYS CB C 13 32.35 0.2 . 1 . . . . 268 LYS CB . 19076 1 808 . 1 1 274 274 LYS N N 15 119.05 0.2 . 1 . . . . 268 LYS N . 19076 1 809 . 1 1 275 275 LEU H H 1 8.68 0.04 . 1 . . . . 269 LEU H . 19076 1 810 . 1 1 275 275 LEU C C 13 179.88 0.2 . 1 . . . . 269 LEU C . 19076 1 811 . 1 1 275 275 LEU CA C 13 57.68 0.2 . 1 . . . . 269 LEU CA . 19076 1 812 . 1 1 275 275 LEU CB C 13 42.38 0.2 . 1 . . . . 269 LEU CB . 19076 1 813 . 1 1 275 275 LEU N N 15 120.12 0.2 . 1 . . . . 269 LEU N . 19076 1 814 . 1 1 277 277 GLU H H 1 7.77 0.04 . 1 . . . . 271 GLU H . 19076 1 815 . 1 1 277 277 GLU C C 13 176.23 0.2 . 1 . . . . 271 GLU C . 19076 1 816 . 1 1 277 277 GLU CA C 13 55.28 0.2 . 1 . . . . 271 GLU CA . 19076 1 817 . 1 1 277 277 GLU CB C 13 29.46 0.2 . 1 . . . . 271 GLU CB . 19076 1 818 . 1 1 277 277 GLU N N 15 120.01 0.2 . 1 . . . . 271 GLU N . 19076 1 819 . 1 1 278 278 ASN H H 1 7.27 0.04 . 1 . . . . 272 ASN H . 19076 1 820 . 1 1 278 278 ASN C C 13 176.51 0.2 . 1 . . . . 272 ASN C . 19076 1 821 . 1 1 278 278 ASN CA C 13 53.10 0.2 . 1 . . . . 272 ASN CA . 19076 1 822 . 1 1 278 278 ASN CB C 13 36.86 0.2 . 1 . . . . 272 ASN CB . 19076 1 823 . 1 1 278 278 ASN N N 15 123.22 0.2 . 1 . . . . 272 ASN N . 19076 1 824 . 1 1 279 279 GLY H H 1 8.36 0.04 . 1 . . . . 273 GLY H . 19076 1 825 . 1 1 279 279 GLY C C 13 174.65 0.2 . 1 . . . . 273 GLY C . 19076 1 826 . 1 1 279 279 GLY CA C 13 45.31 0.2 . 1 . . . . 273 GLY CA . 19076 1 827 . 1 1 279 279 GLY N N 15 109.91 0.2 . 1 . . . . 273 GLY N . 19076 1 828 . 1 1 280 280 ILE H H 1 7.57 0.04 . 1 . . . . 274 ILE H . 19076 1 829 . 1 1 280 280 ILE C C 13 175.28 0.2 . 1 . . . . 274 ILE C . 19076 1 830 . 1 1 280 280 ILE CA C 13 61.01 0.2 . 1 . . . . 274 ILE CA . 19076 1 831 . 1 1 280 280 ILE CB C 13 37.65 0.2 . 1 . . . . 274 ILE CB . 19076 1 832 . 1 1 280 280 ILE N N 15 121.74 0.2 . 1 . . . . 274 ILE N . 19076 1 833 . 1 1 281 281 THR H H 1 8.73 0.04 . 1 . . . . 275 THR H . 19076 1 834 . 1 1 281 281 THR C C 13 172.58 0.2 . 1 . . . . 275 THR C . 19076 1 835 . 1 1 281 281 THR CA C 13 61.49 0.2 . 1 . . . . 275 THR CA . 19076 1 836 . 1 1 281 281 THR CB C 13 69.33 0.2 . 1 . . . . 275 THR CB . 19076 1 837 . 1 1 281 281 THR N N 15 125.02 0.2 . 1 . . . . 275 THR N . 19076 1 838 . 1 1 282 282 PHE H H 1 9.15 0.04 . 1 . . . . 276 PHE H . 19076 1 839 . 1 1 282 282 PHE C C 13 173.76 0.2 . 1 . . . . 276 PHE C . 19076 1 840 . 1 1 282 282 PHE CA C 13 55.42 0.2 . 1 . . . . 276 PHE CA . 19076 1 841 . 1 1 282 282 PHE CB C 13 38.03 0.2 . 1 . . . . 276 PHE CB . 19076 1 842 . 1 1 282 282 PHE N N 15 129.30 0.2 . 1 . . . . 276 PHE N . 19076 1 843 . 1 1 283 283 PRO C C 13 177.15 0.2 . 1 . . . . 277 PRO C . 19076 1 844 . 1 1 283 283 PRO CA C 13 61.76 0.2 . 1 . . . . 277 PRO CA . 19076 1 845 . 1 1 283 283 PRO CB C 13 32.27 0.2 . 1 . . . . 277 PRO CB . 19076 1 846 . 1 1 284 284 LYS H H 1 8.79 0.04 . 1 . . . . 278 LYS H . 19076 1 847 . 1 1 284 284 LYS C C 13 176.90 0.2 . 1 . . . . 278 LYS C . 19076 1 848 . 1 1 284 284 LYS CA C 13 58.51 0.2 . 1 . . . . 278 LYS CA . 19076 1 849 . 1 1 284 284 LYS CB C 13 31.16 0.2 . 1 . . . . 278 LYS CB . 19076 1 850 . 1 1 284 284 LYS N N 15 121.58 0.2 . 1 . . . . 278 LYS N . 19076 1 851 . 1 1 285 285 ASP H H 1 8.15 0.04 . 1 . . . . 279 ASP H . 19076 1 852 . 1 1 285 285 ASP C C 13 175.83 0.2 . 1 . . . . 279 ASP C . 19076 1 853 . 1 1 285 285 ASP CA C 13 52.58 0.2 . 1 . . . . 279 ASP CA . 19076 1 854 . 1 1 285 285 ASP CB C 13 38.98 0.2 . 1 . . . . 279 ASP CB . 19076 1 855 . 1 1 285 285 ASP N N 15 114.84 0.2 . 1 . . . . 279 ASP N . 19076 1 856 . 1 1 286 286 ALA H H 1 7.51 0.04 . 1 . . . . 280 ALA H . 19076 1 857 . 1 1 286 286 ALA CA C 13 50.48 0.2 . 1 . . . . 280 ALA CA . 19076 1 858 . 1 1 286 286 ALA CB C 13 16.88 0.2 . 1 . . . . 280 ALA CB . 19076 1 859 . 1 1 286 286 ALA N N 15 124.10 0.2 . 1 . . . . 280 ALA N . 19076 1 860 . 1 1 287 287 PRO C C 13 176.97 0.2 . 1 . . . . 281 PRO C . 19076 1 861 . 1 1 287 287 PRO CA C 13 62.18 0.2 . 1 . . . . 281 PRO CA . 19076 1 862 . 1 1 287 287 PRO CB C 13 30.67 0.2 . 1 . . . . 281 PRO CB . 19076 1 863 . 1 1 288 288 SER H H 1 8.30 0.04 . 1 . . . . 282 SER H . 19076 1 864 . 1 1 288 288 SER C C 13 170.86 0.2 . 1 . . . . 282 SER C . 19076 1 865 . 1 1 288 288 SER CA C 13 57.79 0.2 . 1 . . . . 282 SER CA . 19076 1 866 . 1 1 288 288 SER CB C 13 60.90 0.2 . 1 . . . . 282 SER CB . 19076 1 867 . 1 1 288 288 SER N N 15 119.25 0.2 . 1 . . . . 282 SER N . 19076 1 868 . 1 1 289 289 PRO C C 13 175.79 0.2 . 1 . . . . 283 PRO C . 19076 1 869 . 1 1 289 289 PRO CA C 13 63.07 0.2 . 1 . . . . 283 PRO CA . 19076 1 870 . 1 1 289 289 PRO CB C 13 31.29 0.2 . 1 . . . . 283 PRO CB . 19076 1 871 . 1 1 290 290 PHE H H 1 9.12 0.04 . 1 . . . . 284 PHE H . 19076 1 872 . 1 1 290 290 PHE C C 13 174.95 0.2 . 1 . . . . 284 PHE C . 19076 1 873 . 1 1 290 290 PHE CA C 13 53.86 0.2 . 1 . . . . 284 PHE CA . 19076 1 874 . 1 1 290 290 PHE CB C 13 39.42 0.2 . 1 . . . . 284 PHE CB . 19076 1 875 . 1 1 290 290 PHE N N 15 124.90 0.2 . 1 . . . . 284 PHE N . 19076 1 876 . 1 1 291 291 ILE H H 1 7.92 0.04 . 1 . . . . 285 ILE H . 19076 1 877 . 1 1 291 291 ILE C C 13 176.82 0.2 . 1 . . . . 285 ILE C . 19076 1 878 . 1 1 291 291 ILE CA C 13 58.82 0.2 . 1 . . . . 285 ILE CA . 19076 1 879 . 1 1 291 291 ILE CB C 13 36.71 0.2 . 1 . . . . 285 ILE CB . 19076 1 880 . 1 1 291 291 ILE N N 15 120.46 0.2 . 1 . . . . 285 ILE N . 19076 1 881 . 1 1 292 292 PHE H H 1 9.98 0.04 . 1 . . . . 286 PHE H . 19076 1 882 . 1 1 292 292 PHE C C 13 177.33 0.2 . 1 . . . . 286 PHE C . 19076 1 883 . 1 1 292 292 PHE CA C 13 58.96 0.2 . 1 . . . . 286 PHE CA . 19076 1 884 . 1 1 292 292 PHE CB C 13 38.99 0.2 . 1 . . . . 286 PHE CB . 19076 1 885 . 1 1 292 292 PHE N N 15 130.11 0.2 . 1 . . . . 286 PHE N . 19076 1 886 . 1 1 293 293 LYS H H 1 8.75 0.04 . 1 . . . . 287 LYS H . 19076 1 887 . 1 1 293 293 LYS C C 13 176.69 0.2 . 1 . . . . 287 LYS C . 19076 1 888 . 1 1 293 293 LYS CA C 13 54.90 0.2 . 1 . . . . 287 LYS CA . 19076 1 889 . 1 1 293 293 LYS CB C 13 33.46 0.2 . 1 . . . . 287 LYS CB . 19076 1 890 . 1 1 293 293 LYS N N 15 123.79 0.2 . 1 . . . . 287 LYS N . 19076 1 891 . 1 1 294 294 THR H H 1 8.62 0.04 . 1 . . . . 288 THR H . 19076 1 892 . 1 1 294 294 THR C C 13 179.32 0.2 . 1 . . . . 288 THR C . 19076 1 893 . 1 1 294 294 THR CA C 13 59.89 0.2 . 1 . . . . 288 THR CA . 19076 1 894 . 1 1 294 294 THR CB C 13 70.44 0.2 . 1 . . . . 288 THR CB . 19076 1 895 . 1 1 294 294 THR N N 15 109.65 0.2 . 1 . . . . 288 THR N . 19076 1 896 . 1 1 295 295 LEU H H 1 9.60 0.04 . 1 . . . . 289 LEU H . 19076 1 897 . 1 1 295 295 LEU C C 13 180.66 0.2 . 1 . . . . 289 LEU C . 19076 1 898 . 1 1 295 295 LEU CA C 13 59.18 0.2 . 1 . . . . 289 LEU CA . 19076 1 899 . 1 1 295 295 LEU CB C 13 39.06 0.2 . 1 . . . . 289 LEU CB . 19076 1 900 . 1 1 295 295 LEU N N 15 122.57 0.2 . 1 . . . . 289 LEU N . 19076 1 901 . 1 1 296 296 GLU H H 1 8.92 0.04 . 1 . . . . 290 GLU H . 19076 1 902 . 1 1 296 296 GLU C C 13 181.19 0.2 . 1 . . . . 290 GLU C . 19076 1 903 . 1 1 296 296 GLU CA C 13 59.03 0.2 . 1 . . . . 290 GLU CA . 19076 1 904 . 1 1 296 296 GLU CB C 13 28.65 0.2 . 1 . . . . 290 GLU CB . 19076 1 905 . 1 1 296 296 GLU N N 15 120.17 0.2 . 1 . . . . 290 GLU N . 19076 1 stop_ save_