data_19075 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19075 _Entry.Title ; 1H, 13C, and 15N backbone chemical shift assignments of the iron-free protoporphyrin IX yeast cytochrome c peroxidase with the C-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. . 19075 2 Nico 'van Nuland' . AJ. . 19075 3 Sophie Vanwetswinkel . . . 19075 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19075 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 609 19075 '1H chemical shifts' 183 19075 '15N chemical shifts' 183 19075 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' 19075 1 . . 2013-09-10 2013-03-06 original author 'original release' 19075 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19076 '1H, 13C, and 15N backbone chemical shift assignments of the iron-free protoporphyrin IX yeast cytochrome c peroxidase with the C-terminal His-tag' 19075 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 19075 _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 . . . 19075 1 2 Nico 'van Nuland' . A.J. . 19075 1 3 Alexander Volkov . N. . 19075 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19075 _Assembly.ID 1 _Assembly.Name CcP-PPIX _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-PPIX 1 $cytochrome_c_peroxidase A . yes native no no . . . 19075 1 2 cofactor 2 $entity_PP9 B . no native no no . . . 19075 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cytochrome_c_peroxidase _Entity.Sf_category entity _Entity.Sf_framecode cytochrome_c_peroxidase _Entity.Entry_ID 19075 _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 ; MKTLVHVASVEKGRSYEDFQ KVYNAIALKLREDDEYDNYI GYGPVLVRLAWHTSGTWDKH DNTGGSYGGTYRFKKEFNDP SNAGLQNGFKFLEPIHKEFP WISSGDLFSLGGVTAVQEMQ GPKIPWRCGRVDTPEDTTPD NGRLPDADKDADYVRTFFQR LNMNDREVVALMGAHALGKT HLKNSGYEGPWGAANNVFTN EFYLNLLNEDWKLEKNDANN EQWDSKSGYMMLPTDYSLIQ DPKYLSIVKEYANDQDKFFK DFSKAFEKLLENGITFPKDA PSPFIFKTLEEQGLHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'C-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 . . . . 19075 1 2 no BMRB 19004 . cytochrome_c_peroxidase . . . . . 100.00 300 100.00 100.00 0.00e+00 . . . . 19075 1 3 no BMRB 19005 . cytochrome_c_peroxidase . . . . . 97.67 300 100.00 100.00 0.00e+00 . . . . 19075 1 4 no BMRB 19076 . cytochrome_c_peroxidase . . . . . 97.67 300 100.00 100.00 0.00e+00 . . . . 19075 1 5 no BMRB 19884 . High_pH . . . . . 97.67 295 99.66 99.66 0.00e+00 . . . . 19075 1 6 no BMRB 25551 . CcP . . . . . 97.00 294 99.31 99.31 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 9 no PDB 1AA4 . "Specificity Of Ligand Binding In A Buried Polar Cavity Of Cytochrome C Peroxidase" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 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)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 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)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 1 12 no PDB 1AEB . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (3- Methylthiazole)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 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)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 1 14 no PDB 1AEE . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (Aniline)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 1 15 no PDB 1AEF . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (3- Aminopyridine)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 1 16 no PDB 1AEG . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (4- Aminopyridine)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 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" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 1 18 no PDB 1AEJ . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (1- Vinylimidazole)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 1 19 no PDB 1AEK . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (Indoline)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 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)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 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" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 1 22 no PDB 1AEO . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (2- Aminopyridine)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 1 23 no PDB 1AEQ . "Variation In The Strength Of A Ch To O Hydrogen Bond In An Artificial Protein Cavity (2-Ethylimidazole)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 1 24 no PDB 1AES . "Specificity Of Ligand Binding To A Buried Polar Cavity At The Active Site Of Cytochrome C Peroxidase (Imidazole)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 1 25 no PDB 1AET . "Variation In The Strength Of A Ch To O Hydrogen Bond In An Artificial Protein Cavity (1-Methylimidazole)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 1 26 no PDB 1AEU . "Specificity Of Ligand Binding In A Polar Cavity Of Cytochrome C Peroxidase (2-Methylimidazole)" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 1 27 no PDB 1AEV . "Introduction Of Novel Substrate Oxidation Into Cytochrome C Peroxidase By Cavity Complementation: Oxidation Of 2- Aminothiazole" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 35 no PDB 1BVA . "Manganese Binding Mutant In Cytochrome C Peroxidase" . . . . . 98.00 294 98.30 98.64 0.00e+00 . . . . 19075 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" . . . . . 99.00 297 98.32 98.32 0.00e+00 . . . . 19075 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" . . . . . 99.00 297 97.98 98.32 0.00e+00 . . . . 19075 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" . . . . . 99.00 297 97.98 97.98 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 41 no PDB 1CCI . "How Flexible Are Proteins? Trapping Of A Flexible Loop" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 42 no PDB 1CCJ . "Conformer Selection By Ligand Binding Observed With Protein Crystallography" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 46 no PDB 1CMP . "Small Molecule Binding To An Artificially Created Cavity At The Active Site Of Cytochrome C Peroxidase" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 47 no PDB 1CMQ . "Small Molecule Binding To An Artificially Created Cavity At The Active Site Of Cytochrome C Peroxidase" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 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" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 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" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 53 no PDB 1CPG . "A Cation Binding Motif Stabilizes The Compound I Radical Of Cytochrome C Peroxidase" . . . . . 98.00 296 97.96 98.64 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 56 no PDB 1DJ1 . "Crystal Structure Of R48a Mutant Of Cytochrome C Peroxidase" . . . . . 97.00 291 98.97 98.97 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 66 no PDB 1KOK . "Crystal Structure Of Mesopone Cytochrome C Peroxidase (Mpccp)" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19075 1 67 no PDB 1KRJ . "Engineering Calcium-Binding Site Into Cytochrome C Peroxidase (Ccp)" . . . . . 97.00 294 98.28 98.28 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 74 no PDB 1RYC . "Cytochrome C Peroxidase W191g From Saccharomyces Cerevisiae" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 79 no PDB 1SOG . "Cyrstal Structure Of Cytochrome C Peroxidase Mutant: Ccpk2m2" . . . . . 97.00 294 97.59 97.94 0.00e+00 . . . . 19075 1 80 no PDB 1STQ . "Cyrstal Structure Of Cytochrome C Peroxidase Mutant: Ccpk2m3" . . . . . 97.00 294 97.25 97.59 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 86 no PDB 2ANZ . "Cytochrome C Peroxidase In Complex With 2,6-Diaminopyridine" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19075 1 87 no PDB 2AQD . "Cytochrome C Peroxidase (Ccp) In Complex With 2,5- Diaminopyridine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 88 no PDB 2AS1 . "Cytochrome C Peroxidase In Complex With Thiopheneamidine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 89 no PDB 2AS2 . "Cytochrome C Peroxidase In Complex With 2-Iminopiperidine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 90 no PDB 2AS3 . "Cytochrome C Peroxidase In Complex With Phenol" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 91 no PDB 2AS4 . "Cytochrome C Peroxidase In Complex With 3-Fluorocatechol" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 92 no PDB 2AS6 . "Cytochrome C Peroxidase In Complex With Cyclopentylamine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 101 no PDB 2EUN . "Cytochrome C Peroxidase (ccp) In Complex With 2,4- Diaminopyrimidine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 102 no PDB 2EUO . "Cytochrome C Peroxidase (ccp) In Complex With 1-methyl-1- Lambda-5-pyridin-3-yl-amine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 103 no PDB 2EUP . "Cytochrome C Peroxidase (Ccp) In Complex With 2-Amino-5- Picoline" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 104 no PDB 2EUQ . "Cytochrome C Peroxydase (Ccp) In Complex With 3- Thienylmethylamine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 105 no PDB 2EUR . "Cytochrome C Peroxidase (Ccp) In Complex With 4- Pyridylcarbinol" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 106 no PDB 2EUS . "Cytochrome C Peroxidase (Ccp) In Complex With Benzylamine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 107 no PDB 2EUT . "Cytochrome C Peroxidase (Ccp) In Complex With 2-Amino-4- Picoline" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 108 no PDB 2EUU . "Cytochrome C Peroxidase (Ccp) In Complex With 1h-Imidazol-2- Ylmethanol" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 116 no PDB 2RBT . "N-Methylbenzylamine In Complex With Cytochrome C Peroxidase W191g" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19075 1 117 no PDB 2RBU . "Cytochrome C Peroxidase In Complex With Cyclopentane-Carboximidamide" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 122 no PDB 2RBZ . "Cytochrome C Peroxidase W191g In Complex 3-Methoxypyridine" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 126 no PDB 2V23 . "Structure Of Cytochrome C Peroxidase Mutant N184r Y36a" . . . . . 98.67 296 98.31 98.65 0.00e+00 . . . . 19075 1 127 no PDB 2V2E . "Structure Of Isoniazid (Inh) Bound To Cytochrome C Peroxidase Mutant N184r Y36a" . . . . . 98.00 294 98.98 99.32 0.00e+00 . . . . 19075 1 128 no PDB 2X07 . "Cytochrome C Peroxidase: Engineered Ascorbate Binding Site" . . . . . 97.00 293 98.63 99.31 0.00e+00 . . . . 19075 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 . . . . 19075 1 130 no PDB 2XIL . "The Structure Of Cytochrome C Peroxidase Compound I" . . . . . 98.00 294 99.66 100.00 0.00e+00 . . . . 19075 1 131 no PDB 2XJ5 . "The Structure Of Cytochrome C Peroxidase Compound Ii" . . . . . 98.00 294 100.00 100.00 0.00e+00 . . . . 19075 1 132 no PDB 2XJ8 . "The Structure Of Ferrous Cytochrome C Peroxidase" . . . . . 98.00 294 100.00 100.00 0.00e+00 . . . . 19075 1 133 no PDB 2Y5A . "Cytochrome C Peroxidase (Ccp) W191g Bound To 3-Aminopyridine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 136 no PDB 3CCX . "Altering Substrate Specificity At The Heme Edge Of Cytochrome C Peroxidase" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 137 no PDB 3E2O . "Crystal Structure Of Cytochrome C Peroxidase, N184r Mutant" . . . . . 97.00 294 99.31 99.31 0.00e+00 . . . . 19075 1 138 no PDB 3EXB . "Crystal Structure Of Cytochrome C Peroxidase With A Proposed Electron Pathway Excised In A Complex With A Peptide Wire" . . . . . 99.00 295 97.31 97.31 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 156 no PDB 4A6Z . "Cytochrome C Peroxidase With Bound Guaiacol" . . . . . 98.67 296 98.31 98.65 0.00e+00 . . . . 19075 1 157 no PDB 4A71 . "Cytochrome C Peroxidase In Complex With Phenol" . . . . . 98.67 296 98.65 98.65 0.00e+00 . . . . 19075 1 158 no PDB 4A78 . "Cytochrome C Peroxidase M119w In Complex With Guiacol" . . . . . 98.67 296 98.65 98.65 0.00e+00 . . . . 19075 1 159 no PDB 4A7M . "Cytochrome C Peroxidase S81w Mutant" . . . . . 98.67 296 98.99 98.99 0.00e+00 . . . . 19075 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 . . . . 19075 1 161 no PDB 4CCX . "Altering Substrate Specificity At The Heme Edge Of Cytochrome C Peroxidase" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19075 1 162 no PDB 4CVI . "Neutron Structure Of Ferric Cytochrome C Peroxidase - Deuterium Exchanged At Room Temperature" . . . . . 98.00 294 99.66 99.66 0.00e+00 . . . . 19075 1 163 no PDB 4CVJ . "Neutron Structure Of Compound I Intermediate Of Cytochrome C Peroxidase - Deuterium Exchanged 100 K" . . . . . 98.00 294 100.00 100.00 0.00e+00 . . . . 19075 1 164 no PDB 4JB4 . "Expression, Purification, Characterization, And Solution Nmr Study Of Highly Deuterated Yeast Cytochrome C Peroxidase With Enha" . . . . . 100.00 300 100.00 100.00 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 184 no PDB 4NFG . "K13r Mutant Of Horse Cytochrome C And Yeast Cytochrome C Peroxidase Complex" . . . . . 98.00 294 99.66 99.66 0.00e+00 . . . . 19075 1 185 no PDB 4NVA . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 186 no PDB 4NVB . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 187 no PDB 4NVC . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 188 no PDB 4NVD . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 189 no PDB 4NVE . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 190 no PDB 4NVF . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 191 no PDB 4NVG . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 192 no PDB 4NVH . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 193 no PDB 4NVI . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 194 no PDB 4NVJ . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 195 no PDB 4NVK . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 196 no PDB 4NVL . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 197 no PDB 4NVM . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 198 no PDB 4NVN . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 199 no PDB 4NVO . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 200 no PDB 4OQ7 . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 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 . . . . 19075 1 202 no PDB 4XV4 . "Ccp Gateless Cavity" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 203 no PDB 4XV5 . "Ccp Gateless Cavity" . . . . . 98.00 292 98.30 98.30 0.00e+00 . . . . 19075 1 204 no PDB 4XV6 . "Ccp Gateless Cavity" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19075 1 205 no PDB 4XV7 . "Ccp Gateless Cavity" . . . . . 98.00 292 98.30 98.30 0.00e+00 . . . . 19075 1 206 no PDB 4XV8 . "Ccp Gateless Cavity" . . . . . 98.00 292 98.30 98.30 0.00e+00 . . . . 19075 1 207 no PDB 4XVA . "Crystal Structure Of Wild Type Cytochrome C Peroxidase" . . . . . 97.00 293 100.00 100.00 0.00e+00 . . . . 19075 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 . . . . 19075 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 . . . . 19075 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 . . . . 19075 1 211 no DBJ GAA24787 . "K7_Ccp1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.00 363 100.00 100.00 0.00e+00 . . . . 19075 1 212 no EMBL CAA44288 . "Cytochrome c peroxidase [Saccharomyces cerevisiae]" . . . . . 97.00 361 100.00 100.00 0.00e+00 . . . . 19075 1 213 no EMBL CAA82145 . "CCP1 [Saccharomyces cerevisiae]" . . . . . 97.00 361 100.00 100.00 0.00e+00 . . . . 19075 1 214 no EMBL CAY81144 . "Ccp1p [Saccharomyces cerevisiae EC1118]" . . . . . 97.00 362 99.66 99.66 0.00e+00 . . . . 19075 1 215 no GB AAA88709 . "cytochrome c peroxidase [Saccharomyces cerevisiae]" . . . . . 97.00 362 99.31 99.31 0.00e+00 . . . . 19075 1 216 no GB AAS56247 . "YKR066C [Saccharomyces cerevisiae]" . . . . . 97.00 361 99.66 100.00 0.00e+00 . . . . 19075 1 217 no GB AHY76301 . "Ccp1p [Saccharomyces cerevisiae YJM993]" . . . . . 97.00 363 99.31 99.31 0.00e+00 . . . . 19075 1 218 no GB AJP40095 . "Ccp1p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.00 362 99.66 99.66 0.00e+00 . . . . 19075 1 219 no GB AJS30293 . "Ccp1p [Saccharomyces cerevisiae YJM189]" . . . . . 97.00 362 99.31 99.31 0.00e+00 . . . . 19075 1 220 no REF NP_012992 . "Ccp1p [Saccharomyces cerevisiae S288c]" . . . . . 97.00 361 100.00 100.00 0.00e+00 . . . . 19075 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 . . . . 19075 1 222 no TPG DAA09217 . "TPA: Ccp1p [Saccharomyces cerevisiae S288c]" . . . . . 97.00 361 100.00 100.00 0.00e+00 . . . . 19075 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 1 MET . 19075 1 2 2 LYS . 19075 1 3 3 THR . 19075 1 4 4 LEU . 19075 1 5 5 VAL . 19075 1 6 6 HIS . 19075 1 7 7 VAL . 19075 1 8 8 ALA . 19075 1 9 9 SER . 19075 1 10 10 VAL . 19075 1 11 11 GLU . 19075 1 12 12 LYS . 19075 1 13 13 GLY . 19075 1 14 14 ARG . 19075 1 15 15 SER . 19075 1 16 16 TYR . 19075 1 17 17 GLU . 19075 1 18 18 ASP . 19075 1 19 19 PHE . 19075 1 20 20 GLN . 19075 1 21 21 LYS . 19075 1 22 22 VAL . 19075 1 23 23 TYR . 19075 1 24 24 ASN . 19075 1 25 25 ALA . 19075 1 26 26 ILE . 19075 1 27 27 ALA . 19075 1 28 28 LEU . 19075 1 29 29 LYS . 19075 1 30 30 LEU . 19075 1 31 31 ARG . 19075 1 32 32 GLU . 19075 1 33 33 ASP . 19075 1 34 34 ASP . 19075 1 35 35 GLU . 19075 1 36 36 TYR . 19075 1 37 37 ASP . 19075 1 38 38 ASN . 19075 1 39 39 TYR . 19075 1 40 40 ILE . 19075 1 41 41 GLY . 19075 1 42 42 TYR . 19075 1 43 43 GLY . 19075 1 44 44 PRO . 19075 1 45 45 VAL . 19075 1 46 46 LEU . 19075 1 47 47 VAL . 19075 1 48 48 ARG . 19075 1 49 49 LEU . 19075 1 50 50 ALA . 19075 1 51 51 TRP . 19075 1 52 52 HIS . 19075 1 53 53 THR . 19075 1 54 54 SER . 19075 1 55 55 GLY . 19075 1 56 56 THR . 19075 1 57 57 TRP . 19075 1 58 58 ASP . 19075 1 59 59 LYS . 19075 1 60 60 HIS . 19075 1 61 61 ASP . 19075 1 62 62 ASN . 19075 1 63 63 THR . 19075 1 64 64 GLY . 19075 1 65 65 GLY . 19075 1 66 66 SER . 19075 1 67 67 TYR . 19075 1 68 68 GLY . 19075 1 69 69 GLY . 19075 1 70 70 THR . 19075 1 71 71 TYR . 19075 1 72 72 ARG . 19075 1 73 73 PHE . 19075 1 74 74 LYS . 19075 1 75 75 LYS . 19075 1 76 76 GLU . 19075 1 77 77 PHE . 19075 1 78 78 ASN . 19075 1 79 79 ASP . 19075 1 80 80 PRO . 19075 1 81 81 SER . 19075 1 82 82 ASN . 19075 1 83 83 ALA . 19075 1 84 84 GLY . 19075 1 85 85 LEU . 19075 1 86 86 GLN . 19075 1 87 87 ASN . 19075 1 88 88 GLY . 19075 1 89 89 PHE . 19075 1 90 90 LYS . 19075 1 91 91 PHE . 19075 1 92 92 LEU . 19075 1 93 93 GLU . 19075 1 94 94 PRO . 19075 1 95 95 ILE . 19075 1 96 96 HIS . 19075 1 97 97 LYS . 19075 1 98 98 GLU . 19075 1 99 99 PHE . 19075 1 100 100 PRO . 19075 1 101 101 TRP . 19075 1 102 102 ILE . 19075 1 103 103 SER . 19075 1 104 104 SER . 19075 1 105 105 GLY . 19075 1 106 106 ASP . 19075 1 107 107 LEU . 19075 1 108 108 PHE . 19075 1 109 109 SER . 19075 1 110 110 LEU . 19075 1 111 111 GLY . 19075 1 112 112 GLY . 19075 1 113 113 VAL . 19075 1 114 114 THR . 19075 1 115 115 ALA . 19075 1 116 116 VAL . 19075 1 117 117 GLN . 19075 1 118 118 GLU . 19075 1 119 119 MET . 19075 1 120 120 GLN . 19075 1 121 121 GLY . 19075 1 122 122 PRO . 19075 1 123 123 LYS . 19075 1 124 124 ILE . 19075 1 125 125 PRO . 19075 1 126 126 TRP . 19075 1 127 127 ARG . 19075 1 128 128 CYS . 19075 1 129 129 GLY . 19075 1 130 130 ARG . 19075 1 131 131 VAL . 19075 1 132 132 ASP . 19075 1 133 133 THR . 19075 1 134 134 PRO . 19075 1 135 135 GLU . 19075 1 136 136 ASP . 19075 1 137 137 THR . 19075 1 138 138 THR . 19075 1 139 139 PRO . 19075 1 140 140 ASP . 19075 1 141 141 ASN . 19075 1 142 142 GLY . 19075 1 143 143 ARG . 19075 1 144 144 LEU . 19075 1 145 145 PRO . 19075 1 146 146 ASP . 19075 1 147 147 ALA . 19075 1 148 148 ASP . 19075 1 149 149 LYS . 19075 1 150 150 ASP . 19075 1 151 151 ALA . 19075 1 152 152 ASP . 19075 1 153 153 TYR . 19075 1 154 154 VAL . 19075 1 155 155 ARG . 19075 1 156 156 THR . 19075 1 157 157 PHE . 19075 1 158 158 PHE . 19075 1 159 159 GLN . 19075 1 160 160 ARG . 19075 1 161 161 LEU . 19075 1 162 162 ASN . 19075 1 163 163 MET . 19075 1 164 164 ASN . 19075 1 165 165 ASP . 19075 1 166 166 ARG . 19075 1 167 167 GLU . 19075 1 168 168 VAL . 19075 1 169 169 VAL . 19075 1 170 170 ALA . 19075 1 171 171 LEU . 19075 1 172 172 MET . 19075 1 173 173 GLY . 19075 1 174 174 ALA . 19075 1 175 175 HIS . 19075 1 176 176 ALA . 19075 1 177 177 LEU . 19075 1 178 178 GLY . 19075 1 179 179 LYS . 19075 1 180 180 THR . 19075 1 181 181 HIS . 19075 1 182 182 LEU . 19075 1 183 183 LYS . 19075 1 184 184 ASN . 19075 1 185 185 SER . 19075 1 186 186 GLY . 19075 1 187 187 TYR . 19075 1 188 188 GLU . 19075 1 189 189 GLY . 19075 1 190 190 PRO . 19075 1 191 191 TRP . 19075 1 192 192 GLY . 19075 1 193 193 ALA . 19075 1 194 194 ALA . 19075 1 195 195 ASN . 19075 1 196 196 ASN . 19075 1 197 197 VAL . 19075 1 198 198 PHE . 19075 1 199 199 THR . 19075 1 200 200 ASN . 19075 1 201 201 GLU . 19075 1 202 202 PHE . 19075 1 203 203 TYR . 19075 1 204 204 LEU . 19075 1 205 205 ASN . 19075 1 206 206 LEU . 19075 1 207 207 LEU . 19075 1 208 208 ASN . 19075 1 209 209 GLU . 19075 1 210 210 ASP . 19075 1 211 211 TRP . 19075 1 212 212 LYS . 19075 1 213 213 LEU . 19075 1 214 214 GLU . 19075 1 215 215 LYS . 19075 1 216 216 ASN . 19075 1 217 217 ASP . 19075 1 218 218 ALA . 19075 1 219 219 ASN . 19075 1 220 220 ASN . 19075 1 221 221 GLU . 19075 1 222 222 GLN . 19075 1 223 223 TRP . 19075 1 224 224 ASP . 19075 1 225 225 SER . 19075 1 226 226 LYS . 19075 1 227 227 SER . 19075 1 228 228 GLY . 19075 1 229 229 TYR . 19075 1 230 230 MET . 19075 1 231 231 MET . 19075 1 232 232 LEU . 19075 1 233 233 PRO . 19075 1 234 234 THR . 19075 1 235 235 ASP . 19075 1 236 236 TYR . 19075 1 237 237 SER . 19075 1 238 238 LEU . 19075 1 239 239 ILE . 19075 1 240 240 GLN . 19075 1 241 241 ASP . 19075 1 242 242 PRO . 19075 1 243 243 LYS . 19075 1 244 244 TYR . 19075 1 245 245 LEU . 19075 1 246 246 SER . 19075 1 247 247 ILE . 19075 1 248 248 VAL . 19075 1 249 249 LYS . 19075 1 250 250 GLU . 19075 1 251 251 TYR . 19075 1 252 252 ALA . 19075 1 253 253 ASN . 19075 1 254 254 ASP . 19075 1 255 255 GLN . 19075 1 256 256 ASP . 19075 1 257 257 LYS . 19075 1 258 258 PHE . 19075 1 259 259 PHE . 19075 1 260 260 LYS . 19075 1 261 261 ASP . 19075 1 262 262 PHE . 19075 1 263 263 SER . 19075 1 264 264 LYS . 19075 1 265 265 ALA . 19075 1 266 266 PHE . 19075 1 267 267 GLU . 19075 1 268 268 LYS . 19075 1 269 269 LEU . 19075 1 270 270 LEU . 19075 1 271 271 GLU . 19075 1 272 272 ASN . 19075 1 273 273 GLY . 19075 1 274 274 ILE . 19075 1 275 275 THR . 19075 1 276 276 PHE . 19075 1 277 277 PRO . 19075 1 278 278 LYS . 19075 1 279 279 ASP . 19075 1 280 280 ALA . 19075 1 281 281 PRO . 19075 1 282 282 SER . 19075 1 283 283 PRO . 19075 1 284 284 PHE . 19075 1 285 285 ILE . 19075 1 286 286 PHE . 19075 1 287 287 LYS . 19075 1 288 288 THR . 19075 1 289 289 LEU . 19075 1 290 290 GLU . 19075 1 291 291 GLU . 19075 1 292 292 GLN . 19075 1 293 293 GLY . 19075 1 294 294 LEU . 19075 1 295 295 HIS . 19075 1 296 296 HIS . 19075 1 297 297 HIS . 19075 1 298 298 HIS . 19075 1 299 299 HIS . 19075 1 300 300 HIS . 19075 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 19075 1 . LYS 2 2 19075 1 . THR 3 3 19075 1 . LEU 4 4 19075 1 . VAL 5 5 19075 1 . HIS 6 6 19075 1 . VAL 7 7 19075 1 . ALA 8 8 19075 1 . SER 9 9 19075 1 . VAL 10 10 19075 1 . GLU 11 11 19075 1 . LYS 12 12 19075 1 . GLY 13 13 19075 1 . ARG 14 14 19075 1 . SER 15 15 19075 1 . TYR 16 16 19075 1 . GLU 17 17 19075 1 . ASP 18 18 19075 1 . PHE 19 19 19075 1 . GLN 20 20 19075 1 . LYS 21 21 19075 1 . VAL 22 22 19075 1 . TYR 23 23 19075 1 . ASN 24 24 19075 1 . ALA 25 25 19075 1 . ILE 26 26 19075 1 . ALA 27 27 19075 1 . LEU 28 28 19075 1 . LYS 29 29 19075 1 . LEU 30 30 19075 1 . ARG 31 31 19075 1 . GLU 32 32 19075 1 . ASP 33 33 19075 1 . ASP 34 34 19075 1 . GLU 35 35 19075 1 . TYR 36 36 19075 1 . ASP 37 37 19075 1 . ASN 38 38 19075 1 . TYR 39 39 19075 1 . ILE 40 40 19075 1 . GLY 41 41 19075 1 . TYR 42 42 19075 1 . GLY 43 43 19075 1 . PRO 44 44 19075 1 . VAL 45 45 19075 1 . LEU 46 46 19075 1 . VAL 47 47 19075 1 . ARG 48 48 19075 1 . LEU 49 49 19075 1 . ALA 50 50 19075 1 . TRP 51 51 19075 1 . HIS 52 52 19075 1 . THR 53 53 19075 1 . SER 54 54 19075 1 . GLY 55 55 19075 1 . THR 56 56 19075 1 . TRP 57 57 19075 1 . ASP 58 58 19075 1 . LYS 59 59 19075 1 . HIS 60 60 19075 1 . ASP 61 61 19075 1 . ASN 62 62 19075 1 . THR 63 63 19075 1 . GLY 64 64 19075 1 . GLY 65 65 19075 1 . SER 66 66 19075 1 . TYR 67 67 19075 1 . GLY 68 68 19075 1 . GLY 69 69 19075 1 . THR 70 70 19075 1 . TYR 71 71 19075 1 . ARG 72 72 19075 1 . PHE 73 73 19075 1 . LYS 74 74 19075 1 . LYS 75 75 19075 1 . GLU 76 76 19075 1 . PHE 77 77 19075 1 . ASN 78 78 19075 1 . ASP 79 79 19075 1 . PRO 80 80 19075 1 . SER 81 81 19075 1 . ASN 82 82 19075 1 . ALA 83 83 19075 1 . GLY 84 84 19075 1 . LEU 85 85 19075 1 . GLN 86 86 19075 1 . ASN 87 87 19075 1 . GLY 88 88 19075 1 . PHE 89 89 19075 1 . LYS 90 90 19075 1 . PHE 91 91 19075 1 . LEU 92 92 19075 1 . GLU 93 93 19075 1 . PRO 94 94 19075 1 . ILE 95 95 19075 1 . HIS 96 96 19075 1 . LYS 97 97 19075 1 . GLU 98 98 19075 1 . PHE 99 99 19075 1 . PRO 100 100 19075 1 . TRP 101 101 19075 1 . ILE 102 102 19075 1 . SER 103 103 19075 1 . SER 104 104 19075 1 . GLY 105 105 19075 1 . ASP 106 106 19075 1 . LEU 107 107 19075 1 . PHE 108 108 19075 1 . SER 109 109 19075 1 . LEU 110 110 19075 1 . GLY 111 111 19075 1 . GLY 112 112 19075 1 . VAL 113 113 19075 1 . THR 114 114 19075 1 . ALA 115 115 19075 1 . VAL 116 116 19075 1 . GLN 117 117 19075 1 . GLU 118 118 19075 1 . MET 119 119 19075 1 . GLN 120 120 19075 1 . GLY 121 121 19075 1 . PRO 122 122 19075 1 . LYS 123 123 19075 1 . ILE 124 124 19075 1 . PRO 125 125 19075 1 . TRP 126 126 19075 1 . ARG 127 127 19075 1 . CYS 128 128 19075 1 . GLY 129 129 19075 1 . ARG 130 130 19075 1 . VAL 131 131 19075 1 . ASP 132 132 19075 1 . THR 133 133 19075 1 . PRO 134 134 19075 1 . GLU 135 135 19075 1 . ASP 136 136 19075 1 . THR 137 137 19075 1 . THR 138 138 19075 1 . PRO 139 139 19075 1 . ASP 140 140 19075 1 . ASN 141 141 19075 1 . GLY 142 142 19075 1 . ARG 143 143 19075 1 . LEU 144 144 19075 1 . PRO 145 145 19075 1 . ASP 146 146 19075 1 . ALA 147 147 19075 1 . ASP 148 148 19075 1 . LYS 149 149 19075 1 . ASP 150 150 19075 1 . ALA 151 151 19075 1 . ASP 152 152 19075 1 . TYR 153 153 19075 1 . VAL 154 154 19075 1 . ARG 155 155 19075 1 . THR 156 156 19075 1 . PHE 157 157 19075 1 . PHE 158 158 19075 1 . GLN 159 159 19075 1 . ARG 160 160 19075 1 . LEU 161 161 19075 1 . ASN 162 162 19075 1 . MET 163 163 19075 1 . ASN 164 164 19075 1 . ASP 165 165 19075 1 . ARG 166 166 19075 1 . GLU 167 167 19075 1 . VAL 168 168 19075 1 . VAL 169 169 19075 1 . ALA 170 170 19075 1 . LEU 171 171 19075 1 . MET 172 172 19075 1 . GLY 173 173 19075 1 . ALA 174 174 19075 1 . HIS 175 175 19075 1 . ALA 176 176 19075 1 . LEU 177 177 19075 1 . GLY 178 178 19075 1 . LYS 179 179 19075 1 . THR 180 180 19075 1 . HIS 181 181 19075 1 . LEU 182 182 19075 1 . LYS 183 183 19075 1 . ASN 184 184 19075 1 . SER 185 185 19075 1 . GLY 186 186 19075 1 . TYR 187 187 19075 1 . GLU 188 188 19075 1 . GLY 189 189 19075 1 . PRO 190 190 19075 1 . TRP 191 191 19075 1 . GLY 192 192 19075 1 . ALA 193 193 19075 1 . ALA 194 194 19075 1 . ASN 195 195 19075 1 . ASN 196 196 19075 1 . VAL 197 197 19075 1 . PHE 198 198 19075 1 . THR 199 199 19075 1 . ASN 200 200 19075 1 . GLU 201 201 19075 1 . PHE 202 202 19075 1 . TYR 203 203 19075 1 . LEU 204 204 19075 1 . ASN 205 205 19075 1 . LEU 206 206 19075 1 . LEU 207 207 19075 1 . ASN 208 208 19075 1 . GLU 209 209 19075 1 . ASP 210 210 19075 1 . TRP 211 211 19075 1 . LYS 212 212 19075 1 . LEU 213 213 19075 1 . GLU 214 214 19075 1 . LYS 215 215 19075 1 . ASN 216 216 19075 1 . ASP 217 217 19075 1 . ALA 218 218 19075 1 . ASN 219 219 19075 1 . ASN 220 220 19075 1 . GLU 221 221 19075 1 . GLN 222 222 19075 1 . TRP 223 223 19075 1 . ASP 224 224 19075 1 . SER 225 225 19075 1 . LYS 226 226 19075 1 . SER 227 227 19075 1 . GLY 228 228 19075 1 . TYR 229 229 19075 1 . MET 230 230 19075 1 . MET 231 231 19075 1 . LEU 232 232 19075 1 . PRO 233 233 19075 1 . THR 234 234 19075 1 . ASP 235 235 19075 1 . TYR 236 236 19075 1 . SER 237 237 19075 1 . LEU 238 238 19075 1 . ILE 239 239 19075 1 . GLN 240 240 19075 1 . ASP 241 241 19075 1 . PRO 242 242 19075 1 . LYS 243 243 19075 1 . TYR 244 244 19075 1 . LEU 245 245 19075 1 . SER 246 246 19075 1 . ILE 247 247 19075 1 . VAL 248 248 19075 1 . LYS 249 249 19075 1 . GLU 250 250 19075 1 . TYR 251 251 19075 1 . ALA 252 252 19075 1 . ASN 253 253 19075 1 . ASP 254 254 19075 1 . GLN 255 255 19075 1 . ASP 256 256 19075 1 . LYS 257 257 19075 1 . PHE 258 258 19075 1 . PHE 259 259 19075 1 . LYS 260 260 19075 1 . ASP 261 261 19075 1 . PHE 262 262 19075 1 . SER 263 263 19075 1 . LYS 264 264 19075 1 . ALA 265 265 19075 1 . PHE 266 266 19075 1 . GLU 267 267 19075 1 . LYS 268 268 19075 1 . LEU 269 269 19075 1 . LEU 270 270 19075 1 . GLU 271 271 19075 1 . ASN 272 272 19075 1 . GLY 273 273 19075 1 . ILE 274 274 19075 1 . THR 275 275 19075 1 . PHE 276 276 19075 1 . PRO 277 277 19075 1 . LYS 278 278 19075 1 . ASP 279 279 19075 1 . ALA 280 280 19075 1 . PRO 281 281 19075 1 . SER 282 282 19075 1 . PRO 283 283 19075 1 . PHE 284 284 19075 1 . ILE 285 285 19075 1 . PHE 286 286 19075 1 . LYS 287 287 19075 1 . THR 288 288 19075 1 . LEU 289 289 19075 1 . GLU 290 290 19075 1 . GLU 291 291 19075 1 . GLN 292 292 19075 1 . GLY 293 293 19075 1 . LEU 294 294 19075 1 . HIS 295 295 19075 1 . HIS 296 296 19075 1 . HIS 297 297 19075 1 . HIS 298 298 19075 1 . HIS 299 299 19075 1 . HIS 300 300 19075 1 stop_ save_ save_entity_PP9 _Entity.Sf_category entity _Entity.Sf_framecode entity_PP9 _Entity.Entry_ID 19075 _Entity.ID 2 _Entity.BMRB_code PP9 _Entity.Name 'PROTOPORPHYRIN IX' _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 562.658 _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 'PROTOPORPHYRIN IX' BMRB 19075 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PROTOPORPHYRIN IX' BMRB 19075 2 PP9 'Three letter code' 19075 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 PP9 $chem_comp_PP9 19075 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 PP9 C1A 19075 2 2 1 PP9 C1B 19075 2 3 1 PP9 C1C 19075 2 4 1 PP9 C1D 19075 2 5 1 PP9 C2A 19075 2 6 1 PP9 C2B 19075 2 7 1 PP9 C2C 19075 2 8 1 PP9 C2D 19075 2 9 1 PP9 C3A 19075 2 10 1 PP9 C3B 19075 2 11 1 PP9 C3C 19075 2 12 1 PP9 C3D 19075 2 13 1 PP9 C4A 19075 2 14 1 PP9 C4B 19075 2 15 1 PP9 C4C 19075 2 16 1 PP9 C4D 19075 2 17 1 PP9 CAA 19075 2 18 1 PP9 CAB 19075 2 19 1 PP9 CAC 19075 2 20 1 PP9 CAD 19075 2 21 1 PP9 CBA 19075 2 22 1 PP9 CBB 19075 2 23 1 PP9 CBC 19075 2 24 1 PP9 CBD 19075 2 25 1 PP9 CGA 19075 2 26 1 PP9 CGD 19075 2 27 1 PP9 CHA 19075 2 28 1 PP9 CHB 19075 2 29 1 PP9 CHC 19075 2 30 1 PP9 CHD 19075 2 31 1 PP9 CMA 19075 2 32 1 PP9 CMB 19075 2 33 1 PP9 CMC 19075 2 34 1 PP9 CMD 19075 2 35 1 PP9 H2A 19075 2 36 1 PP9 H2D 19075 2 37 1 PP9 HAA1 19075 2 38 1 PP9 HAA2 19075 2 39 1 PP9 HAB 19075 2 40 1 PP9 HAC 19075 2 41 1 PP9 HAD1 19075 2 42 1 PP9 HAD2 19075 2 43 1 PP9 HBA1 19075 2 44 1 PP9 HBA2 19075 2 45 1 PP9 HBB1 19075 2 46 1 PP9 HBB2 19075 2 47 1 PP9 HBC1 19075 2 48 1 PP9 HBC2 19075 2 49 1 PP9 HBD1 19075 2 50 1 PP9 HBD2 19075 2 51 1 PP9 HHA 19075 2 52 1 PP9 HHB 19075 2 53 1 PP9 HHC 19075 2 54 1 PP9 HHD 19075 2 55 1 PP9 HMA1 19075 2 56 1 PP9 HMA2 19075 2 57 1 PP9 HMA3 19075 2 58 1 PP9 HMB1 19075 2 59 1 PP9 HMB2 19075 2 60 1 PP9 HMB3 19075 2 61 1 PP9 HMC1 19075 2 62 1 PP9 HMC2 19075 2 63 1 PP9 HMC3 19075 2 64 1 PP9 HMD1 19075 2 65 1 PP9 HMD2 19075 2 66 1 PP9 HMD3 19075 2 67 1 PP9 HNA 19075 2 68 1 PP9 HNC 19075 2 69 1 PP9 NA 19075 2 70 1 PP9 NB 19075 2 71 1 PP9 NC 19075 2 72 1 PP9 ND 19075 2 73 1 PP9 O1A 19075 2 74 1 PP9 O1D 19075 2 75 1 PP9 O2A 19075 2 76 1 PP9 O2D 19075 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 19075 _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 . . . . . . . . . . . . . . . . . . . . . 19075 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 19075 _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(+) . . . . . . 19075 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PP9 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PP9 _Chem_comp.Entry_ID 19075 _Chem_comp.ID PP9 _Chem_comp.Provenance PDB _Chem_comp.Name 'PROTOPORPHYRIN IX' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PP9 _Chem_comp.PDB_code PP9 _Chem_comp.Ambiguous_flag no _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 PP9 _Chem_comp.Number_atoms_all 76 _Chem_comp.Number_atoms_nh 42 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C34H34N4O4/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/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- _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 . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H34 N4 O4' _Chem_comp.Formula_weight 562.658 _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 1HRS _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 Cc1c2\cc\3/nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19075 PP9 Cc1c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc(c1CCC(=O)O)[nH]2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C SMILES 'OpenEye OEToolkits' 1.5.0 19075 PP9 Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O SMILES CACTVS 3.341 19075 PP9 Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O SMILES_CANONICAL CACTVS 3.341 19075 PP9 FEDYMSUPMFCVOD-UJJXFSCMSA-N InChIKey InChI 1.03 19075 PP9 InChI=1S/C34H34N4O4/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/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- InChI InChI 1.03 19075 PP9 O=C(O)CCc5c2nc(cc4nc(cc1c(c(\C=C)c(n1)cc3nc(c2)C(=C3C)CCC(=O)O)C)C(\C=C)=C4C)c5C SMILES ACDLabs 10.04 19075 PP9 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 19075 PP9 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 CHA CHA CHA CHA . C . . N 0 . . . 1 yes no . . . . 31.065 . 0.002 . 31.143 . . . . 1 . 19075 PP9 CHB CHB CHB CHB . C . . N 0 . . . 1 yes no . . . . 35.826 . 0.180 . 31.024 . . . . 2 . 19075 PP9 CHC CHC CHC CHC . C . . N 0 . . . 1 yes no . . . . 35.848 . 0.194 . 35.774 . . . . 3 . 19075 PP9 CHD CHD CHD CHD . C . . N 0 . . . 1 yes no . . . . 31.154 . -0.405 . 35.895 . . . . 4 . 19075 PP9 NA NA NA 'N A' . N . . N 0 . . . 1 yes no . . . . 33.446 . 0.061 . 31.469 . . . . 5 . 19075 PP9 C1A C1A C1A C1A . C . . N 0 . . . 1 yes no . . . . 32.353 . 0.122 . 30.648 . . . . 6 . 19075 PP9 C2A C2A C2A C2A . C . . N 0 . . . 1 yes no . . . . 32.758 . 0.313 . 29.238 . . . . 7 . 19075 PP9 C3A C3A C3A C3A . C . . N 0 . . . 1 yes no . . . . 34.103 . 0.320 . 29.241 . . . . 8 . 19075 PP9 C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 34.521 . 0.174 . 30.616 . . . . 9 . 19075 PP9 CMA CMA CMA CMA . C . . N 0 . . . 1 no no . . . . 35.002 . 0.450 . 28.014 . . . . 10 . 19075 PP9 CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . 31.915 . 0.481 . 27.970 . . . . 11 . 19075 PP9 CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . 32.092 . 1.768 . 27.177 . . . . 12 . 19075 PP9 CGA CGA CGA CGA . C . . N 0 . . . 1 no no . . . . 31.282 . 1.943 . 25.904 . . . . 13 . 19075 PP9 O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 30.662 . 2.997 . 25.762 . . . . 14 . 19075 PP9 O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 31.292 . 1.058 . 25.049 . . . . 15 . 19075 PP9 NB NB NB 'N B' . N . . N 0 . . . 1 yes no . . . . 35.391 . -0.031 . 33.402 . . . . 16 . 19075 PP9 C1B C1B C1B C1B . C . . N 0 . . . 1 yes no . . . . 36.229 . 0.085 . 32.324 . . . . 17 . 19075 PP9 C2B C2B C2B C2B . C . . N 0 . . . 1 no no . . . . 37.582 . 0.230 . 32.758 . . . . 18 . 19075 PP9 C3B C3B C3B C3B . C . . N 0 . . . 1 no no . . . . 37.596 . 0.143 . 34.081 . . . . 19 . 19075 PP9 C4B C4B C4B C4B . C . . N 0 . . . 1 yes no . . . . 36.240 . 0.014 . 34.483 . . . . 20 . 19075 PP9 CMB CMB CMB CMB . C . . N 0 . . . 1 no no . . . . 38.774 . 0.624 . 31.938 . . . . 21 . 19075 PP9 CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 38.687 . 0.294 . 34.894 . . . . 22 . 19075 PP9 CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . 38.962 . 1.610 . 35.383 . . . . 23 . 19075 PP9 NC NC NC 'N C' . N . . N 0 . . . 1 yes no . . . . 33.474 . 0.005 . 35.357 . . . . 24 . 19075 PP9 C1C C1C C1C C1C . C . . N 0 . . . 1 yes no . . . . 34.549 . 0.268 . 36.158 . . . . 25 . 19075 PP9 C2C C2C C2C C2C . C . . N 0 . . . 1 yes no . . . . 34.195 . 0.276 . 37.519 . . . . 26 . 19075 PP9 C3C C3C C3C C3C . C . . N 0 . . . 1 yes no . . . . 32.955 . -0.221 . 37.606 . . . . 27 . 19075 PP9 C4C C4C C4C C4C . C . . N 0 . . . 1 yes no . . . . 32.458 . -0.229 . 36.251 . . . . 28 . 19075 PP9 CMC CMC CMC CMC . C . . N 0 . . . 1 no no . . . . 35.052 . 0.857 . 38.615 . . . . 29 . 19075 PP9 CAC CAC CAC CAC . C . . N 0 . . . 1 no no . . . . 32.517 . -1.001 . 38.646 . . . . 30 . 19075 PP9 CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 33.294 . -2.194 . 38.954 . . . . 31 . 19075 PP9 ND ND ND 'N D' . N . . N 0 . . . 1 yes no . . . . 31.503 . -0.227 . 33.501 . . . . 32 . 19075 PP9 C1D C1D C1D C1D . C . . N 0 . . . 1 yes no . . . . 30.697 . -0.394 . 34.607 . . . . 33 . 19075 PP9 C2D C2D C2D C2D . C . . N 0 . . . 1 no no . . . . 29.304 . -0.478 . 34.245 . . . . 34 . 19075 PP9 C3D C3D C3D C3D . C . . N 0 . . . 1 no no . . . . 29.247 . -0.330 . 32.914 . . . . 35 . 19075 PP9 C4D C4D C4D C4D . C . . N 0 . . . 1 yes no . . . . 30.634 . -0.168 . 32.449 . . . . 36 . 19075 PP9 CMD CMD CMD CMD . C . . N 0 . . . 1 no no . . . . 28.110 . -0.688 . 35.172 . . . . 37 . 19075 PP9 CAD CAD CAD CAD . C . . N 0 . . . 1 no no . . . . 27.936 . -0.240 . 32.148 . . . . 38 . 19075 PP9 CBD CBD CBD CBD . C . . N 0 . . . 1 no no . . . . 27.055 . -1.471 . 32.005 . . . . 39 . 19075 PP9 CGD CGD CGD CGD . C . . N 0 . . . 1 no no . . . . 25.725 . -1.128 . 31.356 . . . . 40 . 19075 PP9 O1D O1D O1D O1D . O . . N 0 . . . 1 no no . . . . 24.703 . -1.130 . 32.045 . . . . 41 . 19075 PP9 O2D O2D O2D O2D . O . . N 0 . . . 1 no no . . . . 25.718 . -0.848 . 30.156 . . . . 42 . 19075 PP9 HHA HHA HHA HHA . H . . N 0 . . . 1 no no . . . . 30.264 . 0.048 . 30.385 . . . . 43 . 19075 PP9 HHB HHB HHB HHB . H . . N 0 . . . 1 no no . . . . 36.607 . 0.267 . 30.250 . . . . 44 . 19075 PP9 HHC HHC HHC HHC . H . . N 0 . . . 1 no no . . . . 36.625 . 0.284 . 36.551 . . . . 45 . 19075 PP9 HHD HHD HHD HHD . H . . N 0 . . . 1 no no . . . . 30.420 . -0.567 . 36.702 . . . . 46 . 19075 PP9 HNA HNA HNA HNA . H . . N 0 . . . 1 no no . . . . 33.456 . -0.044 . 32.483 . . . . 47 . 19075 PP9 HMA1 HMA1 HMA1 1HMA . H . . N 0 . . . 0 no no . . . . 36.117 . 0.455 . 28.016 . . . . 48 . 19075 PP9 HMA2 HMA2 HMA2 2HMA . H . . N 0 . . . 0 no no . . . . 34.693 . -0.357 . 27.310 . . . . 49 . 19075 PP9 HMA3 HMA3 HMA3 3HMA . H . . N 0 . . . 0 no no . . . . 34.683 . 1.379 . 27.487 . . . . 50 . 19075 PP9 HAA1 HAA1 HAA1 1HAA . H . . N 0 . . . 0 no no . . . . 32.080 . -0.392 . 27.297 . . . . 51 . 19075 PP9 HAA2 HAA2 HAA2 2HAA . H . . N 0 . . . 0 no no . . . . 30.837 . 0.348 . 28.222 . . . . 52 . 19075 PP9 HBA1 HBA1 HBA1 1HBA . H . . N 0 . . . 0 no no . . . . 31.907 . 2.638 . 27.849 . . . . 53 . 19075 PP9 HBA2 HBA2 HBA2 2HBA . H . . N 0 . . . 0 no no . . . . 33.173 . 1.905 . 26.942 . . . . 54 . 19075 PP9 H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 30.785 . 1.167 . 24.252 . . . . 55 . 19075 PP9 HMB1 HMB1 HMB1 1HMB . H . . N 0 . . . 0 no no . . . . 39.830 . 0.737 . 32.276 . . . . 56 . 19075 PP9 HMB2 HMB2 HMB2 2HMB . H . . N 0 . . . 0 no no . . . . 38.804 . -0.092 . 31.084 . . . . 57 . 19075 PP9 HMB3 HMB3 HMB3 3HMB . H . . N 0 . . . 0 no no . . . . 38.504 . 1.593 . 31.457 . . . . 58 . 19075 PP9 HAB HAB HAB HAB . H . . N 0 . . . 1 no no . . . . 39.304 . -0.586 . 35.139 . . . . 59 . 19075 PP9 HBB1 HBB1 HBB1 1HBB . H . . N 0 . . . 0 no no . . . . 38.345 . 2.490 . 35.138 . . . . 60 . 19075 PP9 HBB2 HBB2 HBB2 2HBB . H . . N 0 . . . 0 no no . . . . 39.841 . 1.731 . 36.038 . . . . 61 . 19075 PP9 HNC HNC HNC HNC . H . . N 0 . . . 1 no no . . . . 33.623 . -0.744 . 34.681 . . . . 62 . 19075 PP9 HMC1 HMC1 HMC1 1HMC . H . . N 0 . . . 0 no no . . . . 34.771 . 0.863 . 39.694 . . . . 63 . 19075 PP9 HMC2 HMC2 HMC2 2HMC . H . . N 0 . . . 0 no no . . . . 36.051 . 0.367 . 38.541 . . . . 64 . 19075 PP9 HMC3 HMC3 HMC3 3HMC . H . . N 0 . . . 0 no no . . . . 35.274 . 1.911 . 38.330 . . . . 65 . 19075 PP9 HAC HAC HAC HAC . H . . N 0 . . . 1 no no . . . . 31.609 . -0.692 . 39.192 . . . . 66 . 19075 PP9 HBC1 HBC1 HBC1 1HBC . H . . N 0 . . . 0 no no . . . . 34.201 . -2.502 . 38.407 . . . . 67 . 19075 PP9 HBC2 HBC2 HBC2 2HBC . H . . N 0 . . . 0 no no . . . . 32.941 . -2.821 . 39.790 . . . . 68 . 19075 PP9 HMD1 HMD1 HMD1 1HMD . H . . N 0 . . . 0 no no . . . . 27.032 . -0.753 . 34.892 . . . . 69 . 19075 PP9 HMD2 HMD2 HMD2 2HMD . H . . N 0 . . . 0 no no . . . . 28.331 . -1.617 . 35.747 . . . . 70 . 19075 PP9 HMD3 HMD3 HMD3 3HMD . H . . N 0 . . . 0 no no . . . . 28.176 . 0.117 . 35.940 . . . . 71 . 19075 PP9 HAD1 HAD1 HAD1 1HAD . H . . N 0 . . . 0 no no . . . . 27.325 . 0.582 . 32.588 . . . . 72 . 19075 PP9 HAD2 HAD2 HAD2 2HAD . H . . N 0 . . . 0 no no . . . . 28.148 . 0.162 . 31.130 . . . . 73 . 19075 PP9 HBD1 HBD1 HBD1 1HBD . H . . N 0 . . . 0 no no . . . . 27.579 . -2.287 . 31.455 . . . . 74 . 19075 PP9 HBD2 HBD2 HBD2 2HBD . H . . N 0 . . . 0 no no . . . . 26.911 . -1.986 . 32.983 . . . . 75 . 19075 PP9 H2D H2D H2D H2D . H . . N 0 . . . 1 no no . . . . 24.886 . -0.633 . 29.750 . . . . 76 . 19075 PP9 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 CHA C1A yes N 1 . 19075 PP9 2 . DOUB CHA C4D yes Z 2 . 19075 PP9 3 . SING CHA HHA no N 3 . 19075 PP9 4 . SING CHB C4A yes N 4 . 19075 PP9 5 . DOUB CHB C1B yes Z 5 . 19075 PP9 6 . SING CHB HHB no N 6 . 19075 PP9 7 . SING CHC C4B yes N 7 . 19075 PP9 8 . DOUB CHC C1C yes Z 8 . 19075 PP9 9 . SING CHC HHC no N 9 . 19075 PP9 10 . DOUB CHD C4C yes Z 10 . 19075 PP9 11 . SING CHD C1D yes N 11 . 19075 PP9 12 . SING CHD HHD no N 12 . 19075 PP9 13 . SING NA C1A yes N 13 . 19075 PP9 14 . SING NA C4A yes N 14 . 19075 PP9 15 . SING NA HNA no N 15 . 19075 PP9 16 . DOUB C1A C2A yes N 16 . 19075 PP9 17 . SING C2A C3A yes N 17 . 19075 PP9 18 . SING C2A CAA no N 18 . 19075 PP9 19 . DOUB C3A C4A yes N 19 . 19075 PP9 20 . SING C3A CMA no N 20 . 19075 PP9 21 . SING CMA HMA1 no N 21 . 19075 PP9 22 . SING CMA HMA2 no N 22 . 19075 PP9 23 . SING CMA HMA3 no N 23 . 19075 PP9 24 . SING CAA CBA no N 24 . 19075 PP9 25 . SING CAA HAA1 no N 25 . 19075 PP9 26 . SING CAA HAA2 no N 26 . 19075 PP9 27 . SING CBA CGA no N 27 . 19075 PP9 28 . SING CBA HBA1 no N 28 . 19075 PP9 29 . SING CBA HBA2 no N 29 . 19075 PP9 30 . DOUB CGA O1A no N 30 . 19075 PP9 31 . SING CGA O2A no N 31 . 19075 PP9 32 . SING O2A H2A no N 32 . 19075 PP9 33 . SING NB C1B yes N 33 . 19075 PP9 34 . DOUB NB C4B yes N 34 . 19075 PP9 35 . SING C1B C2B no N 35 . 19075 PP9 36 . DOUB C2B C3B no N 36 . 19075 PP9 37 . SING C2B CMB no N 37 . 19075 PP9 38 . SING C3B C4B no N 38 . 19075 PP9 39 . SING C3B CAB no N 39 . 19075 PP9 40 . SING CMB HMB1 no N 40 . 19075 PP9 41 . SING CMB HMB2 no N 41 . 19075 PP9 42 . SING CMB HMB3 no N 42 . 19075 PP9 43 . DOUB CAB CBB no N 43 . 19075 PP9 44 . SING CAB HAB no N 44 . 19075 PP9 45 . SING CBB HBB1 no N 45 . 19075 PP9 46 . SING CBB HBB2 no N 46 . 19075 PP9 47 . SING NC C1C yes N 47 . 19075 PP9 48 . SING NC C4C yes N 48 . 19075 PP9 49 . SING NC HNC no N 49 . 19075 PP9 50 . SING C1C C2C yes N 50 . 19075 PP9 51 . DOUB C2C C3C yes N 51 . 19075 PP9 52 . SING C2C CMC no N 52 . 19075 PP9 53 . SING C3C C4C yes N 53 . 19075 PP9 54 . SING C3C CAC no N 54 . 19075 PP9 55 . SING CMC HMC1 no N 55 . 19075 PP9 56 . SING CMC HMC2 no N 56 . 19075 PP9 57 . SING CMC HMC3 no N 57 . 19075 PP9 58 . DOUB CAC CBC no N 58 . 19075 PP9 59 . SING CAC HAC no N 59 . 19075 PP9 60 . SING CBC HBC1 no N 60 . 19075 PP9 61 . SING CBC HBC2 no N 61 . 19075 PP9 62 . DOUB ND C1D yes N 62 . 19075 PP9 63 . SING ND C4D yes N 63 . 19075 PP9 64 . SING C1D C2D no N 64 . 19075 PP9 65 . DOUB C2D C3D no N 65 . 19075 PP9 66 . SING C2D CMD no N 66 . 19075 PP9 67 . SING C3D C4D no N 67 . 19075 PP9 68 . SING C3D CAD no N 68 . 19075 PP9 69 . SING CMD HMD1 no N 69 . 19075 PP9 70 . SING CMD HMD2 no N 70 . 19075 PP9 71 . SING CMD HMD3 no N 71 . 19075 PP9 72 . SING CAD CBD no N 72 . 19075 PP9 73 . SING CAD HAD1 no N 73 . 19075 PP9 74 . SING CAD HAD2 no N 74 . 19075 PP9 75 . SING CBD CGD no N 75 . 19075 PP9 76 . SING CBD HBD1 no N 76 . 19075 PP9 77 . SING CBD HBD2 no N 77 . 19075 PP9 78 . DOUB CGD O1D no N 78 . 19075 PP9 79 . SING CGD O2D no N 79 . 19075 PP9 80 . SING O2D H2D no N 80 . 19075 PP9 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19075 _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 . . 1.2 . . mM . . . . 19075 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19075 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19075 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19075 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19075 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 19075 _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 19075 1 pH 6 . pH 19075 1 pressure 1 . atm 19075 1 temperature 298 . K 19075 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 19075 _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 19075 _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 . . . 19075 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 19075 _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 . . . . . . . . . . . . . . . . 19075 1 2 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19075 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19075 1 4 '3D HN(CA)CB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19075 1 5 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19075 1 6 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19075 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 19075 _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 19075 _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 . . . . . . . . . 19075 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19075 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19075 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 19075 _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' . . . 19075 1 2 '3D HNCA' . . . 19075 1 3 '3D HNCO' . . . 19075 1 4 '3D HN(CA)CB' . . . 19075 1 5 '3D HN(CO)CA' . . . 19075 1 6 '3D HN(CA)CO' . . . 19075 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS C C 13 175.85 0.2 . 1 . . . . 2 LYS C . 19075 1 2 . 1 1 2 2 LYS CA C 13 55.96 0.2 . 1 . . . . 2 LYS CA . 19075 1 3 . 1 1 2 2 LYS CB C 13 32.07 0.2 . 1 . . . . 2 LYS CB . 19075 1 4 . 1 1 3 3 THR H H 1 8.16 0.04 . 1 . . . . 3 THR H . 19075 1 5 . 1 1 3 3 THR C C 13 173.93 0.2 . 1 . . . . 3 THR C . 19075 1 6 . 1 1 3 3 THR CA C 13 61.47 0.2 . 1 . . . . 3 THR CA . 19075 1 7 . 1 1 3 3 THR CB C 13 69.34 0.2 . 1 . . . . 3 THR CB . 19075 1 8 . 1 1 3 3 THR N N 15 118.40 0.2 . 1 . . . . 3 THR N . 19075 1 9 . 1 1 4 4 LEU H H 1 8.18 0.04 . 1 . . . . 4 LEU H . 19075 1 10 . 1 1 4 4 LEU C C 13 176.04 0.2 . 1 . . . . 4 LEU C . 19075 1 11 . 1 1 4 4 LEU CA C 13 54.55 0.2 . 1 . . . . 4 LEU CA . 19075 1 12 . 1 1 4 4 LEU CB C 13 41.43 0.2 . 1 . . . . 4 LEU CB . 19075 1 13 . 1 1 4 4 LEU N N 15 126.81 0.2 . 1 . . . . 4 LEU N . 19075 1 14 . 1 1 5 5 VAL H H 1 8.14 0.04 . 1 . . . . 5 VAL H . 19075 1 15 . 1 1 5 5 VAL C C 13 174.56 0.2 . 1 . . . . 5 VAL C . 19075 1 16 . 1 1 5 5 VAL CA C 13 60.78 0.2 . 1 . . . . 5 VAL CA . 19075 1 17 . 1 1 5 5 VAL CB C 13 32.97 0.2 . 1 . . . . 5 VAL CB . 19075 1 18 . 1 1 5 5 VAL N N 15 124.03 0.2 . 1 . . . . 5 VAL N . 19075 1 19 . 1 1 6 6 HIS H H 1 8.70 0.04 . 1 . . . . 6 HIS H . 19075 1 20 . 1 1 6 6 HIS C C 13 172.36 0.2 . 1 . . . . 6 HIS C . 19075 1 21 . 1 1 6 6 HIS CA C 13 51.71 0.2 . 1 . . . . 6 HIS CA . 19075 1 22 . 1 1 6 6 HIS CB C 13 26.98 0.2 . 1 . . . . 6 HIS CB . 19075 1 23 . 1 1 6 6 HIS N N 15 125.11 0.2 . 1 . . . . 6 HIS N . 19075 1 24 . 1 1 7 7 VAL H H 1 8.84 0.04 . 1 . . . . 7 VAL H . 19075 1 25 . 1 1 7 7 VAL C C 13 177.94 0.2 . 1 . . . . 7 VAL C . 19075 1 26 . 1 1 7 7 VAL CA C 13 61.41 0.2 . 1 . . . . 7 VAL CA . 19075 1 27 . 1 1 7 7 VAL CB C 13 31.20 0.2 . 1 . . . . 7 VAL CB . 19075 1 28 . 1 1 7 7 VAL N N 15 124.96 0.2 . 1 . . . . 7 VAL N . 19075 1 29 . 1 1 8 8 ALA H H 1 8.53 0.04 . 1 . . . . 8 ALA H . 19075 1 30 . 1 1 8 8 ALA C C 13 177.12 0.2 . 1 . . . . 8 ALA C . 19075 1 31 . 1 1 8 8 ALA CA C 13 52.34 0.2 . 1 . . . . 8 ALA CA . 19075 1 32 . 1 1 8 8 ALA CB C 13 19.57 0.2 . 1 . . . . 8 ALA CB . 19075 1 33 . 1 1 8 8 ALA N N 15 135.63 0.2 . 1 . . . . 8 ALA N . 19075 1 34 . 1 1 9 9 SER H H 1 9.52 0.04 . 1 . . . . 9 SER H . 19075 1 35 . 1 1 9 9 SER CB C 13 63.58 0.2 . 1 . . . . 9 SER CB . 19075 1 36 . 1 1 9 9 SER N N 15 120.95 0.2 . 1 . . . . 9 SER N . 19075 1 37 . 1 1 11 11 GLU C C 13 176.76 0.2 . 1 . . . . 11 GLU C . 19075 1 38 . 1 1 11 11 GLU CA C 13 59.04 0.2 . 1 . . . . 11 GLU CA . 19075 1 39 . 1 1 12 12 LYS H H 1 8.17 0.04 . 1 . . . . 12 LYS H . 19075 1 40 . 1 1 12 12 LYS C C 13 178.81 0.2 . 1 . . . . 12 LYS C . 19075 1 41 . 1 1 12 12 LYS CA C 13 58.18 0.2 . 1 . . . . 12 LYS CA . 19075 1 42 . 1 1 12 12 LYS CB C 13 31.38 0.2 . 1 . . . . 12 LYS CB . 19075 1 43 . 1 1 12 12 LYS N N 15 123.65 0.2 . 1 . . . . 12 LYS N . 19075 1 44 . 1 1 13 13 GLY H H 1 8.87 0.04 . 1 . . . . 13 GLY H . 19075 1 45 . 1 1 13 13 GLY C C 13 174.07 0.2 . 1 . . . . 13 GLY C . 19075 1 46 . 1 1 13 13 GLY CA C 13 45.12 0.2 . 1 . . . . 13 GLY CA . 19075 1 47 . 1 1 13 13 GLY N N 15 113.35 0.2 . 1 . . . . 13 GLY N . 19075 1 48 . 1 1 14 14 ARG H H 1 7.69 0.04 . 1 . . . . 14 ARG H . 19075 1 49 . 1 1 14 14 ARG C C 13 175.54 0.2 . 1 . . . . 14 ARG C . 19075 1 50 . 1 1 14 14 ARG CA C 13 52.68 0.2 . 1 . . . . 14 ARG CA . 19075 1 51 . 1 1 14 14 ARG CB C 13 28.96 0.2 . 1 . . . . 14 ARG CB . 19075 1 52 . 1 1 14 14 ARG N N 15 119.02 0.2 . 1 . . . . 14 ARG N . 19075 1 53 . 1 1 15 15 SER H H 1 9.39 0.04 . 1 . . . . 15 SER H . 19075 1 54 . 1 1 15 15 SER C C 13 174.27 0.2 . 1 . . . . 15 SER C . 19075 1 55 . 1 1 15 15 SER CA C 13 56.43 0.2 . 1 . . . . 15 SER CA . 19075 1 56 . 1 1 15 15 SER CB C 13 65.88 0.2 . 1 . . . . 15 SER CB . 19075 1 57 . 1 1 15 15 SER N N 15 118.69 0.2 . 1 . . . . 15 SER N . 19075 1 58 . 1 1 16 16 TYR H H 1 8.94 0.04 . 1 . . . . 16 TYR H . 19075 1 59 . 1 1 16 16 TYR C C 13 176.12 0.2 . 1 . . . . 16 TYR C . 19075 1 60 . 1 1 16 16 TYR CA C 13 61.40 0.2 . 1 . . . . 16 TYR CA . 19075 1 61 . 1 1 16 16 TYR CB C 13 37.83 0.2 . 1 . . . . 16 TYR CB . 19075 1 62 . 1 1 16 16 TYR N N 15 122.19 0.2 . 1 . . . . 16 TYR N . 19075 1 63 . 1 1 17 17 GLU H H 1 8.83 0.04 . 1 . . . . 17 GLU H . 19075 1 64 . 1 1 17 17 GLU C C 13 179.04 0.2 . 1 . . . . 17 GLU C . 19075 1 65 . 1 1 17 17 GLU CA C 13 59.42 0.2 . 1 . . . . 17 GLU CA . 19075 1 66 . 1 1 17 17 GLU CB C 13 28.15 0.2 . 1 . . . . 17 GLU CB . 19075 1 67 . 1 1 17 17 GLU N N 15 117.12 0.2 . 1 . . . . 17 GLU N . 19075 1 68 . 1 1 18 18 ASP H H 1 7.55 0.04 . 1 . . . . 18 ASP H . 19075 1 69 . 1 1 18 18 ASP C C 13 177.96 0.2 . 1 . . . . 18 ASP C . 19075 1 70 . 1 1 18 18 ASP CA C 13 57.46 0.2 . 1 . . . . 18 ASP CA . 19075 1 71 . 1 1 18 18 ASP CB C 13 41.32 0.2 . 1 . . . . 18 ASP CB . 19075 1 72 . 1 1 18 18 ASP N N 15 117.83 0.2 . 1 . . . . 18 ASP N . 19075 1 73 . 1 1 19 19 PHE H H 1 7.42 0.04 . 1 . . . . 19 PHE H . 19075 1 74 . 1 1 19 19 PHE C C 13 177.37 0.2 . 1 . . . . 19 PHE C . 19075 1 75 . 1 1 19 19 PHE CA C 13 62.24 0.2 . 1 . . . . 19 PHE CA . 19075 1 76 . 1 1 19 19 PHE CB C 13 38.75 0.2 . 1 . . . . 19 PHE CB . 19075 1 77 . 1 1 19 19 PHE N N 15 116.07 0.2 . 1 . . . . 19 PHE N . 19075 1 78 . 1 1 20 20 GLN H H 1 8.79 0.04 . 1 . . . . 20 GLN H . 19075 1 79 . 1 1 20 20 GLN C C 13 177.80 0.2 . 1 . . . . 20 GLN C . 19075 1 80 . 1 1 20 20 GLN CA C 13 57.29 0.2 . 1 . . . . 20 GLN CA . 19075 1 81 . 1 1 20 20 GLN CB C 13 26.98 0.2 . 1 . . . . 20 GLN CB . 19075 1 82 . 1 1 20 20 GLN N N 15 121.70 0.2 . 1 . . . . 20 GLN N . 19075 1 83 . 1 1 21 21 LYS H H 1 7.38 0.04 . 1 . . . . 21 LYS H . 19075 1 84 . 1 1 21 21 LYS C C 13 178.91 0.2 . 1 . . . . 21 LYS C . 19075 1 85 . 1 1 21 21 LYS CA C 13 59.74 0.2 . 1 . . . . 21 LYS CA . 19075 1 86 . 1 1 21 21 LYS CB C 13 31.25 0.2 . 1 . . . . 21 LYS CB . 19075 1 87 . 1 1 21 21 LYS N N 15 119.65 0.2 . 1 . . . . 21 LYS N . 19075 1 88 . 1 1 22 22 VAL H H 1 6.81 0.04 . 1 . . . . 22 VAL H . 19075 1 89 . 1 1 22 22 VAL CA C 13 65.44 0.2 . 1 . . . . 22 VAL CA . 19075 1 90 . 1 1 22 22 VAL CB C 13 29.04 0.2 . 1 . . . . 22 VAL CB . 19075 1 91 . 1 1 22 22 VAL N N 15 122.05 0.2 . 1 . . . . 22 VAL N . 19075 1 92 . 1 1 24 24 ASN C C 13 176.80 0.2 . 1 . . . . 24 ASN C . 19075 1 93 . 1 1 24 24 ASN CA C 13 54.95 0.2 . 1 . . . . 24 ASN CA . 19075 1 94 . 1 1 25 25 ALA H H 1 7.84 0.04 . 1 . . . . 25 ALA H . 19075 1 95 . 1 1 25 25 ALA C C 13 181.17 0.2 . 1 . . . . 25 ALA C . 19075 1 96 . 1 1 25 25 ALA CA C 13 54.91 0.2 . 1 . . . . 25 ALA CA . 19075 1 97 . 1 1 25 25 ALA CB C 13 18.37 0.2 . 1 . . . . 25 ALA CB . 19075 1 98 . 1 1 25 25 ALA N N 15 123.00 0.2 . 1 . . . . 25 ALA N . 19075 1 99 . 1 1 26 26 ILE C C 13 176.88 0.2 . 1 . . . . 26 ILE C . 19075 1 100 . 1 1 26 26 ILE CA C 13 65.00 0.2 . 1 . . . . 26 ILE CA . 19075 1 101 . 1 1 27 27 ALA H H 1 9.00 0.04 . 1 . . . . 27 ALA H . 19075 1 102 . 1 1 27 27 ALA CA C 13 54.78 0.2 . 1 . . . . 27 ALA CA . 19075 1 103 . 1 1 27 27 ALA CB C 13 18.37 0.2 . 1 . . . . 27 ALA CB . 19075 1 104 . 1 1 27 27 ALA N N 15 122.02 0.2 . 1 . . . . 27 ALA N . 19075 1 105 . 1 1 28 28 LEU C C 13 179.72 0.2 . 1 . . . . 28 LEU C . 19075 1 106 . 1 1 28 28 LEU CA C 13 57.27 0.2 . 1 . . . . 28 LEU CA . 19075 1 107 . 1 1 29 29 LYS H H 1 7.57 0.04 . 1 . . . . 29 LYS H . 19075 1 108 . 1 1 29 29 LYS CB C 13 30.79 0.2 . 1 . . . . 29 LYS CB . 19075 1 109 . 1 1 29 29 LYS N N 15 123.59 0.2 . 1 . . . . 29 LYS N . 19075 1 110 . 1 1 30 30 LEU C C 13 180.30 0.2 . 1 . . . . 30 LEU C . 19075 1 111 . 1 1 30 30 LEU CA C 13 56.90 0.2 . 1 . . . . 30 LEU CA . 19075 1 112 . 1 1 31 31 ARG H H 1 7.22 0.04 . 1 . . . . 31 ARG H . 19075 1 113 . 1 1 31 31 ARG C C 13 177.08 0.2 . 1 . . . . 31 ARG C . 19075 1 114 . 1 1 31 31 ARG CA C 13 57.28 0.2 . 1 . . . . 31 ARG CA . 19075 1 115 . 1 1 31 31 ARG CB C 13 29.75 0.2 . 1 . . . . 31 ARG CB . 19075 1 116 . 1 1 31 31 ARG N N 15 116.52 0.2 . 1 . . . . 31 ARG N . 19075 1 117 . 1 1 35 35 GLU C C 13 177.04 0.2 . 1 . . . . 35 GLU C . 19075 1 118 . 1 1 35 35 GLU CA C 13 56.55 0.2 . 1 . . . . 35 GLU CA . 19075 1 119 . 1 1 36 36 TYR H H 1 6.72 0.04 . 1 . . . . 36 TYR H . 19075 1 120 . 1 1 36 36 TYR C C 13 173.86 0.2 . 1 . . . . 36 TYR C . 19075 1 121 . 1 1 36 36 TYR CA C 13 58.34 0.2 . 1 . . . . 36 TYR CA . 19075 1 122 . 1 1 36 36 TYR CB C 13 40.28 0.2 . 1 . . . . 36 TYR CB . 19075 1 123 . 1 1 36 36 TYR N N 15 121.40 0.2 . 1 . . . . 36 TYR N . 19075 1 124 . 1 1 40 40 ILE C C 13 179.01 0.2 . 1 . . . . 40 ILE C . 19075 1 125 . 1 1 41 41 GLY H H 1 8.48 0.04 . 1 . . . . 41 GLY H . 19075 1 126 . 1 1 41 41 GLY C C 13 173.34 0.2 . 1 . . . . 41 GLY C . 19075 1 127 . 1 1 41 41 GLY CA C 13 44.19 0.2 . 1 . . . . 41 GLY CA . 19075 1 128 . 1 1 41 41 GLY N N 15 107.28 0.2 . 1 . . . . 41 GLY N . 19075 1 129 . 1 1 42 42 TYR H H 1 9.42 0.04 . 1 . . . . 42 TYR H . 19075 1 130 . 1 1 42 42 TYR C C 13 175.05 0.2 . 1 . . . . 42 TYR C . 19075 1 131 . 1 1 42 42 TYR CA C 13 59.85 0.2 . 1 . . . . 42 TYR CA . 19075 1 132 . 1 1 42 42 TYR CB C 13 38.48 0.2 . 1 . . . . 42 TYR CB . 19075 1 133 . 1 1 42 42 TYR N N 15 115.86 0.2 . 1 . . . . 42 TYR N . 19075 1 134 . 1 1 43 43 GLY H H 1 9.30 0.04 . 1 . . . . 43 GLY H . 19075 1 135 . 1 1 43 43 GLY C C 13 174.02 0.2 . 1 . . . . 43 GLY C . 19075 1 136 . 1 1 43 43 GLY CA C 13 48.25 0.2 . 1 . . . . 43 GLY CA . 19075 1 137 . 1 1 43 43 GLY N N 15 108.92 0.2 . 1 . . . . 43 GLY N . 19075 1 138 . 1 1 55 55 GLY C C 13 169.87 0.2 . 1 . . . . 55 GLY C . 19075 1 139 . 1 1 55 55 GLY CA C 13 45.84 0.2 . 1 . . . . 55 GLY CA . 19075 1 140 . 1 1 56 56 THR H H 1 6.33 0.04 . 1 . . . . 56 THR H . 19075 1 141 . 1 1 56 56 THR C C 13 173.86 0.2 . 1 . . . . 56 THR C . 19075 1 142 . 1 1 56 56 THR CA C 13 60.18 0.2 . 1 . . . . 56 THR CA . 19075 1 143 . 1 1 56 56 THR CB C 13 69.83 0.2 . 1 . . . . 56 THR CB . 19075 1 144 . 1 1 56 56 THR N N 15 103.60 0.2 . 1 . . . . 56 THR N . 19075 1 145 . 1 1 57 57 TRP H H 1 7.05 0.04 . 1 . . . . 57 TRP H . 19075 1 146 . 1 1 57 57 TRP C C 13 173.84 0.2 . 1 . . . . 57 TRP C . 19075 1 147 . 1 1 57 57 TRP CA C 13 58.84 0.2 . 1 . . . . 57 TRP CA . 19075 1 148 . 1 1 57 57 TRP CB C 13 27.63 0.2 . 1 . . . . 57 TRP CB . 19075 1 149 . 1 1 57 57 TRP N N 15 122.06 0.2 . 1 . . . . 57 TRP N . 19075 1 150 . 1 1 58 58 ASP H H 1 7.47 0.04 . 1 . . . . 58 ASP H . 19075 1 151 . 1 1 58 58 ASP C C 13 175.07 0.2 . 1 . . . . 58 ASP C . 19075 1 152 . 1 1 58 58 ASP CA C 13 52.07 0.2 . 1 . . . . 58 ASP CA . 19075 1 153 . 1 1 58 58 ASP CB C 13 42.16 0.2 . 1 . . . . 58 ASP CB . 19075 1 154 . 1 1 58 58 ASP N N 15 125.90 0.2 . 1 . . . . 58 ASP N . 19075 1 155 . 1 1 59 59 LYS H H 1 6.80 0.04 . 1 . . . . 59 LYS H . 19075 1 156 . 1 1 59 59 LYS C C 13 177.23 0.2 . 1 . . . . 59 LYS C . 19075 1 157 . 1 1 59 59 LYS CA C 13 56.47 0.2 . 1 . . . . 59 LYS CA . 19075 1 158 . 1 1 59 59 LYS CB C 13 31.31 0.2 . 1 . . . . 59 LYS CB . 19075 1 159 . 1 1 59 59 LYS N N 15 122.77 0.2 . 1 . . . . 59 LYS N . 19075 1 160 . 1 1 60 60 HIS H H 1 8.83 0.04 . 1 . . . . 60 HIS H . 19075 1 161 . 1 1 60 60 HIS C C 13 175.49 0.2 . 1 . . . . 60 HIS C . 19075 1 162 . 1 1 60 60 HIS CA C 13 58.55 0.2 . 1 . . . . 60 HIS CA . 19075 1 163 . 1 1 60 60 HIS CB C 13 27.38 0.2 . 1 . . . . 60 HIS CB . 19075 1 164 . 1 1 60 60 HIS N N 15 119.25 0.2 . 1 . . . . 60 HIS N . 19075 1 165 . 1 1 61 61 ASP H H 1 6.84 0.04 . 1 . . . . 61 ASP H . 19075 1 166 . 1 1 61 61 ASP C C 13 176.05 0.2 . 1 . . . . 61 ASP C . 19075 1 167 . 1 1 61 61 ASP CA C 13 51.88 0.2 . 1 . . . . 61 ASP CA . 19075 1 168 . 1 1 61 61 ASP CB C 13 40.97 0.2 . 1 . . . . 61 ASP CB . 19075 1 169 . 1 1 61 61 ASP N N 15 114.32 0.2 . 1 . . . . 61 ASP N . 19075 1 170 . 1 1 62 62 ASN H H 1 8.28 0.04 . 1 . . . . 62 ASN H . 19075 1 171 . 1 1 62 62 ASN C C 13 174.60 0.2 . 1 . . . . 62 ASN C . 19075 1 172 . 1 1 62 62 ASN CA C 13 53.04 0.2 . 1 . . . . 62 ASN CA . 19075 1 173 . 1 1 62 62 ASN CB C 13 38.20 0.2 . 1 . . . . 62 ASN CB . 19075 1 174 . 1 1 62 62 ASN N N 15 117.67 0.2 . 1 . . . . 62 ASN N . 19075 1 175 . 1 1 63 63 THR H H 1 7.66 0.04 . 1 . . . . 63 THR H . 19075 1 176 . 1 1 63 63 THR C C 13 175.76 0.2 . 1 . . . . 63 THR C . 19075 1 177 . 1 1 63 63 THR CA C 13 60.50 0.2 . 1 . . . . 63 THR CA . 19075 1 178 . 1 1 63 63 THR CB C 13 71.69 0.2 . 1 . . . . 63 THR CB . 19075 1 179 . 1 1 63 63 THR N N 15 108.64 0.2 . 1 . . . . 63 THR N . 19075 1 180 . 1 1 64 64 GLY H H 1 8.56 0.04 . 1 . . . . 64 GLY H . 19075 1 181 . 1 1 64 64 GLY C C 13 176.17 0.2 . 1 . . . . 64 GLY C . 19075 1 182 . 1 1 64 64 GLY CA C 13 44.51 0.2 . 1 . . . . 64 GLY CA . 19075 1 183 . 1 1 64 64 GLY N N 15 105.64 0.2 . 1 . . . . 64 GLY N . 19075 1 184 . 1 1 65 65 GLY H H 1 8.19 0.04 . 1 . . . . 65 GLY H . 19075 1 185 . 1 1 65 65 GLY C C 13 173.26 0.2 . 1 . . . . 65 GLY C . 19075 1 186 . 1 1 65 65 GLY CA C 13 43.99 0.2 . 1 . . . . 65 GLY CA . 19075 1 187 . 1 1 65 65 GLY N N 15 108.00 0.2 . 1 . . . . 65 GLY N . 19075 1 188 . 1 1 66 66 SER H H 1 8.72 0.04 . 1 . . . . 66 SER H . 19075 1 189 . 1 1 66 66 SER C C 13 177.70 0.2 . 1 . . . . 66 SER C . 19075 1 190 . 1 1 66 66 SER CA C 13 59.57 0.2 . 1 . . . . 66 SER CA . 19075 1 191 . 1 1 66 66 SER CB C 13 63.75 0.2 . 1 . . . . 66 SER CB . 19075 1 192 . 1 1 66 66 SER N N 15 112.03 0.2 . 1 . . . . 66 SER N . 19075 1 193 . 1 1 67 67 TYR H H 1 8.47 0.04 . 1 . . . . 67 TYR H . 19075 1 194 . 1 1 67 67 TYR C C 13 175.50 0.2 . 1 . . . . 67 TYR C . 19075 1 195 . 1 1 67 67 TYR CA C 13 62.55 0.2 . 1 . . . . 67 TYR CA . 19075 1 196 . 1 1 67 67 TYR CB C 13 37.47 0.2 . 1 . . . . 67 TYR CB . 19075 1 197 . 1 1 67 67 TYR N N 15 122.55 0.2 . 1 . . . . 67 TYR N . 19075 1 198 . 1 1 68 68 GLY H H 1 8.50 0.04 . 1 . . . . 68 GLY H . 19075 1 199 . 1 1 68 68 GLY C C 13 176.10 0.2 . 1 . . . . 68 GLY C . 19075 1 200 . 1 1 68 68 GLY CA C 13 46.17 0.2 . 1 . . . . 68 GLY CA . 19075 1 201 . 1 1 68 68 GLY N N 15 99.21 0.2 . 1 . . . . 68 GLY N . 19075 1 202 . 1 1 69 69 GLY H H 1 7.88 0.04 . 1 . . . . 69 GLY H . 19075 1 203 . 1 1 69 69 GLY C C 13 177.83 0.2 . 1 . . . . 69 GLY C . 19075 1 204 . 1 1 69 69 GLY CA C 13 47.06 0.2 . 1 . . . . 69 GLY CA . 19075 1 205 . 1 1 69 69 GLY N N 15 110.04 0.2 . 1 . . . . 69 GLY N . 19075 1 206 . 1 1 70 70 THR H H 1 7.70 0.04 . 1 . . . . 70 THR H . 19075 1 207 . 1 1 70 70 THR C C 13 174.45 0.2 . 1 . . . . 70 THR C . 19075 1 208 . 1 1 70 70 THR CA C 13 64.23 0.2 . 1 . . . . 70 THR CA . 19075 1 209 . 1 1 70 70 THR CB C 13 67.09 0.2 . 1 . . . . 70 THR CB . 19075 1 210 . 1 1 70 70 THR N N 15 112.38 0.2 . 1 . . . . 70 THR N . 19075 1 211 . 1 1 71 71 TYR C C 13 171.26 0.2 . 1 . . . . 71 TYR C . 19075 1 212 . 1 1 71 71 TYR CB C 13 38.82 0.2 . 1 . . . . 71 TYR CB . 19075 1 213 . 1 1 72 72 ARG H H 1 6.82 0.04 . 1 . . . . 72 ARG H . 19075 1 214 . 1 1 72 72 ARG C C 13 176.24 0.2 . 1 . . . . 72 ARG C . 19075 1 215 . 1 1 72 72 ARG CA C 13 55.82 0.2 . 1 . . . . 72 ARG CA . 19075 1 216 . 1 1 72 72 ARG CB C 13 28.59 0.2 . 1 . . . . 72 ARG CB . 19075 1 217 . 1 1 72 72 ARG N N 15 108.40 0.2 . 1 . . . . 72 ARG N . 19075 1 218 . 1 1 73 73 PHE H H 1 8.26 0.04 . 1 . . . . 73 PHE H . 19075 1 219 . 1 1 73 73 PHE C C 13 176.52 0.2 . 1 . . . . 73 PHE C . 19075 1 220 . 1 1 73 73 PHE CA C 13 57.23 0.2 . 1 . . . . 73 PHE CA . 19075 1 221 . 1 1 73 73 PHE CB C 13 37.97 0.2 . 1 . . . . 73 PHE CB . 19075 1 222 . 1 1 73 73 PHE N N 15 123.59 0.2 . 1 . . . . 73 PHE N . 19075 1 223 . 1 1 74 74 LYS H H 1 8.79 0.04 . 1 . . . . 74 LYS H . 19075 1 224 . 1 1 74 74 LYS C C 13 177.06 0.2 . 1 . . . . 74 LYS C . 19075 1 225 . 1 1 74 74 LYS CA C 13 58.79 0.2 . 1 . . . . 74 LYS CA . 19075 1 226 . 1 1 74 74 LYS CB C 13 31.60 0.2 . 1 . . . . 74 LYS CB . 19075 1 227 . 1 1 74 74 LYS N N 15 122.32 0.2 . 1 . . . . 74 LYS N . 19075 1 228 . 1 1 75 75 LYS H H 1 8.58 0.04 . 1 . . . . 75 LYS H . 19075 1 229 . 1 1 75 75 LYS C C 13 177.60 0.2 . 1 . . . . 75 LYS C . 19075 1 230 . 1 1 75 75 LYS CA C 13 59.65 0.2 . 1 . . . . 75 LYS CA . 19075 1 231 . 1 1 75 75 LYS CB C 13 31.61 0.2 . 1 . . . . 75 LYS CB . 19075 1 232 . 1 1 75 75 LYS N N 15 117.70 0.2 . 1 . . . . 75 LYS N . 19075 1 233 . 1 1 76 76 GLU H H 1 6.64 0.04 . 1 . . . . 76 GLU H . 19075 1 234 . 1 1 76 76 GLU CA C 13 57.55 0.2 . 1 . . . . 76 GLU CA . 19075 1 235 . 1 1 76 76 GLU CB C 13 29.92 0.2 . 1 . . . . 76 GLU CB . 19075 1 236 . 1 1 76 76 GLU N N 15 119.07 0.2 . 1 . . . . 76 GLU N . 19075 1 237 . 1 1 77 77 PHE C C 13 177.83 0.2 . 1 . . . . 77 PHE C . 19075 1 238 . 1 1 77 77 PHE CA C 13 60.44 0.2 . 1 . . . . 77 PHE CA . 19075 1 239 . 1 1 78 78 ASN H H 1 7.82 0.04 . 1 . . . . 78 ASN H . 19075 1 240 . 1 1 78 78 ASN C C 13 174.49 0.2 . 1 . . . . 78 ASN C . 19075 1 241 . 1 1 78 78 ASN CA C 13 52.41 0.2 . 1 . . . . 78 ASN CA . 19075 1 242 . 1 1 78 78 ASN CB C 13 37.90 0.2 . 1 . . . . 78 ASN CB . 19075 1 243 . 1 1 78 78 ASN N N 15 112.60 0.2 . 1 . . . . 78 ASN N . 19075 1 244 . 1 1 79 79 ASP H H 1 7.27 0.04 . 1 . . . . 79 ASP H . 19075 1 245 . 1 1 79 79 ASP C C 13 177.80 0.2 . 1 . . . . 79 ASP C . 19075 1 246 . 1 1 79 79 ASP CA C 13 52.58 0.2 . 1 . . . . 79 ASP CA . 19075 1 247 . 1 1 79 79 ASP CB C 13 41.65 0.2 . 1 . . . . 79 ASP CB . 19075 1 248 . 1 1 79 79 ASP N N 15 124.69 0.2 . 1 . . . . 79 ASP N . 19075 1 249 . 1 1 80 80 PRO C C 13 179.99 0.2 . 1 . . . . 80 PRO C . 19075 1 250 . 1 1 80 80 PRO CA C 13 65.20 0.2 . 1 . . . . 80 PRO CA . 19075 1 251 . 1 1 80 80 PRO CB C 13 31.04 0.2 . 1 . . . . 80 PRO CB . 19075 1 252 . 1 1 81 81 SER H H 1 8.55 0.04 . 1 . . . . 81 SER H . 19075 1 253 . 1 1 81 81 SER CA C 13 61.29 0.2 . 1 . . . . 81 SER CA . 19075 1 254 . 1 1 81 81 SER CB C 13 62.32 0.2 . 1 . . . . 81 SER CB . 19075 1 255 . 1 1 81 81 SER N N 15 115.27 0.2 . 1 . . . . 81 SER N . 19075 1 256 . 1 1 82 82 ASN C C 13 175.92 0.2 . 1 . . . . 82 ASN C . 19075 1 257 . 1 1 82 82 ASN CA C 13 51.19 0.2 . 1 . . . . 82 ASN CA . 19075 1 258 . 1 1 82 82 ASN CB C 13 37.56 0.2 . 1 . . . . 82 ASN CB . 19075 1 259 . 1 1 83 83 ALA H H 1 7.12 0.04 . 1 . . . . 83 ALA H . 19075 1 260 . 1 1 83 83 ALA C C 13 178.27 0.2 . 1 . . . . 83 ALA C . 19075 1 261 . 1 1 83 83 ALA CA C 13 54.80 0.2 . 1 . . . . 83 ALA CA . 19075 1 262 . 1 1 83 83 ALA CB C 13 17.59 0.2 . 1 . . . . 83 ALA CB . 19075 1 263 . 1 1 83 83 ALA N N 15 127.43 0.2 . 1 . . . . 83 ALA N . 19075 1 264 . 1 1 84 84 GLY H H 1 8.62 0.04 . 1 . . . . 84 GLY H . 19075 1 265 . 1 1 84 84 GLY CA C 13 44.76 0.2 . 1 . . . . 84 GLY CA . 19075 1 266 . 1 1 84 84 GLY N N 15 115.12 0.2 . 1 . . . . 84 GLY N . 19075 1 267 . 1 1 85 85 LEU C C 13 178.28 0.2 . 1 . . . . 85 LEU C . 19075 1 268 . 1 1 85 85 LEU CA C 13 56.25 0.2 . 1 . . . . 85 LEU CA . 19075 1 269 . 1 1 85 85 LEU CB C 13 38.96 0.2 . 1 . . . . 85 LEU CB . 19075 1 270 . 1 1 86 86 GLN H H 1 9.64 0.04 . 1 . . . . 86 GLN H . 19075 1 271 . 1 1 86 86 GLN CA C 13 58.75 0.2 . 1 . . . . 86 GLN CA . 19075 1 272 . 1 1 86 86 GLN CB C 13 25.87 0.2 . 1 . . . . 86 GLN CB . 19075 1 273 . 1 1 86 86 GLN N N 15 122.36 0.2 . 1 . . . . 86 GLN N . 19075 1 274 . 1 1 90 90 LYS C C 13 178.95 0.2 . 1 . . . . 90 LYS C . 19075 1 275 . 1 1 90 90 LYS CA C 13 58.29 0.2 . 1 . . . . 90 LYS CA . 19075 1 276 . 1 1 90 90 LYS CB C 13 31.16 0.2 . 1 . . . . 90 LYS CB . 19075 1 277 . 1 1 91 91 PHE H H 1 7.10 0.04 . 1 . . . . 91 PHE H . 19075 1 278 . 1 1 91 91 PHE C C 13 175.76 0.2 . 1 . . . . 91 PHE C . 19075 1 279 . 1 1 91 91 PHE CA C 13 60.50 0.2 . 1 . . . . 91 PHE CA . 19075 1 280 . 1 1 91 91 PHE CB C 13 37.77 0.2 . 1 . . . . 91 PHE CB . 19075 1 281 . 1 1 91 91 PHE N N 15 121.14 0.2 . 1 . . . . 91 PHE N . 19075 1 282 . 1 1 92 92 LEU H H 1 7.18 0.04 . 1 . . . . 92 LEU H . 19075 1 283 . 1 1 92 92 LEU C C 13 178.57 0.2 . 1 . . . . 92 LEU C . 19075 1 284 . 1 1 92 92 LEU CA C 13 55.01 0.2 . 1 . . . . 92 LEU CA . 19075 1 285 . 1 1 92 92 LEU CB C 13 41.85 0.2 . 1 . . . . 92 LEU CB . 19075 1 286 . 1 1 92 92 LEU N N 15 114.18 0.2 . 1 . . . . 92 LEU N . 19075 1 287 . 1 1 93 93 GLU H H 1 7.71 0.04 . 1 . . . . 93 GLU H . 19075 1 288 . 1 1 93 93 GLU C C 13 175.83 0.2 . 1 . . . . 93 GLU C . 19075 1 289 . 1 1 93 93 GLU CA C 13 61.24 0.2 . 1 . . . . 93 GLU CA . 19075 1 290 . 1 1 93 93 GLU CB C 13 26.59 0.2 . 1 . . . . 93 GLU CB . 19075 1 291 . 1 1 93 93 GLU N N 15 123.16 0.2 . 1 . . . . 93 GLU N . 19075 1 292 . 1 1 94 94 PRO C C 13 179.87 0.2 . 1 . . . . 94 PRO C . 19075 1 293 . 1 1 95 95 ILE H H 1 6.63 0.04 . 1 . . . . 95 ILE H . 19075 1 294 . 1 1 95 95 ILE CA C 13 63.06 0.2 . 1 . . . . 95 ILE CA . 19075 1 295 . 1 1 95 95 ILE CB C 13 35.50 0.2 . 1 . . . . 95 ILE CB . 19075 1 296 . 1 1 95 95 ILE N N 15 119.21 0.2 . 1 . . . . 95 ILE N . 19075 1 297 . 1 1 96 96 HIS C C 13 177.55 0.2 . 1 . . . . 96 HIS C . 19075 1 298 . 1 1 96 96 HIS CB C 13 28.78 0.2 . 1 . . . . 96 HIS CB . 19075 1 299 . 1 1 97 97 LYS H H 1 7.64 0.04 . 1 . . . . 97 LYS H . 19075 1 300 . 1 1 97 97 LYS C C 13 177.91 0.2 . 1 . . . . 97 LYS C . 19075 1 301 . 1 1 97 97 LYS CA C 13 57.98 0.2 . 1 . . . . 97 LYS CA . 19075 1 302 . 1 1 97 97 LYS CB C 13 31.12 0.2 . 1 . . . . 97 LYS CB . 19075 1 303 . 1 1 97 97 LYS N N 15 115.44 0.2 . 1 . . . . 97 LYS N . 19075 1 304 . 1 1 98 98 GLU H H 1 7.08 0.04 . 1 . . . . 98 GLU H . 19075 1 305 . 1 1 98 98 GLU C C 13 175.74 0.2 . 1 . . . . 98 GLU C . 19075 1 306 . 1 1 98 98 GLU CA C 13 57.21 0.2 . 1 . . . . 98 GLU CA . 19075 1 307 . 1 1 98 98 GLU CB C 13 28.54 0.2 . 1 . . . . 98 GLU CB . 19075 1 308 . 1 1 98 98 GLU N N 15 119.48 0.2 . 1 . . . . 98 GLU N . 19075 1 309 . 1 1 99 99 PHE H H 1 7.38 0.04 . 1 . . . . 99 PHE H . 19075 1 310 . 1 1 99 99 PHE CA C 13 53.63 0.2 . 1 . . . . 99 PHE CA . 19075 1 311 . 1 1 99 99 PHE CB C 13 37.02 0.2 . 1 . . . . 99 PHE CB . 19075 1 312 . 1 1 99 99 PHE N N 15 116.86 0.2 . 1 . . . . 99 PHE N . 19075 1 313 . 1 1 103 103 SER C C 13 175.00 0.2 . 1 . . . . 103 SER C . 19075 1 314 . 1 1 104 104 SER H H 1 10.30 0.04 . 1 . . . . 104 SER H . 19075 1 315 . 1 1 104 104 SER N N 15 120.90 0.2 . 1 . . . . 104 SER N . 19075 1 316 . 1 1 106 106 ASP C C 13 176.13 0.2 . 1 . . . . 106 ASP C . 19075 1 317 . 1 1 106 106 ASP CA C 13 57.84 0.2 . 1 . . . . 106 ASP CA . 19075 1 318 . 1 1 106 106 ASP CB C 13 38.26 0.2 . 1 . . . . 106 ASP CB . 19075 1 319 . 1 1 107 107 LEU H H 1 7.90 0.04 . 1 . . . . 107 LEU H . 19075 1 320 . 1 1 107 107 LEU C C 13 178.16 0.2 . 1 . . . . 107 LEU C . 19075 1 321 . 1 1 107 107 LEU CA C 13 57.97 0.2 . 1 . . . . 107 LEU CA . 19075 1 322 . 1 1 107 107 LEU CB C 13 40.01 0.2 . 1 . . . . 107 LEU CB . 19075 1 323 . 1 1 107 107 LEU N N 15 122.21 0.2 . 1 . . . . 107 LEU N . 19075 1 324 . 1 1 108 108 PHE H H 1 8.75 0.04 . 1 . . . . 108 PHE H . 19075 1 325 . 1 1 108 108 PHE C C 13 179.47 0.2 . 1 . . . . 108 PHE C . 19075 1 326 . 1 1 108 108 PHE CA C 13 57.13 0.2 . 1 . . . . 108 PHE CA . 19075 1 327 . 1 1 108 108 PHE CB C 13 37.14 0.2 . 1 . . . . 108 PHE CB . 19075 1 328 . 1 1 108 108 PHE N N 15 116.61 0.2 . 1 . . . . 108 PHE N . 19075 1 329 . 1 1 109 109 SER C C 13 176.06 0.2 . 1 . . . . 109 SER C . 19075 1 330 . 1 1 109 109 SER CA C 13 61.31 0.2 . 1 . . . . 109 SER CA . 19075 1 331 . 1 1 109 109 SER CB C 13 63.02 0.2 . 1 . . . . 109 SER CB . 19075 1 332 . 1 1 110 110 LEU H H 1 8.69 0.04 . 1 . . . . 110 LEU H . 19075 1 333 . 1 1 110 110 LEU C C 13 180.85 0.2 . 1 . . . . 110 LEU C . 19075 1 334 . 1 1 110 110 LEU CA C 13 56.93 0.2 . 1 . . . . 110 LEU CA . 19075 1 335 . 1 1 110 110 LEU CB C 13 40.41 0.2 . 1 . . . . 110 LEU CB . 19075 1 336 . 1 1 110 110 LEU N N 15 127.62 0.2 . 1 . . . . 110 LEU N . 19075 1 337 . 1 1 111 111 GLY H H 1 8.79 0.04 . 1 . . . . 111 GLY H . 19075 1 338 . 1 1 111 111 GLY C C 13 174.67 0.2 . 1 . . . . 111 GLY C . 19075 1 339 . 1 1 111 111 GLY CA C 13 47.65 0.2 . 1 . . . . 111 GLY CA . 19075 1 340 . 1 1 111 111 GLY N N 15 109.38 0.2 . 1 . . . . 111 GLY N . 19075 1 341 . 1 1 112 112 GLY H H 1 7.15 0.04 . 1 . . . . 112 GLY H . 19075 1 342 . 1 1 112 112 GLY C C 13 174.39 0.2 . 1 . . . . 112 GLY C . 19075 1 343 . 1 1 112 112 GLY CA C 13 46.99 0.2 . 1 . . . . 112 GLY CA . 19075 1 344 . 1 1 112 112 GLY N N 15 105.37 0.2 . 1 . . . . 112 GLY N . 19075 1 345 . 1 1 113 113 VAL H H 1 7.56 0.04 . 1 . . . . 113 VAL H . 19075 1 346 . 1 1 113 113 VAL CA C 13 67.30 0.2 . 1 . . . . 113 VAL CA . 19075 1 347 . 1 1 113 113 VAL CB C 13 31.76 0.2 . 1 . . . . 113 VAL CB . 19075 1 348 . 1 1 113 113 VAL N N 15 122.13 0.2 . 1 . . . . 113 VAL N . 19075 1 349 . 1 1 114 114 THR C C 13 175.86 0.2 . 1 . . . . 114 THR C . 19075 1 350 . 1 1 115 115 ALA H H 1 7.74 0.04 . 1 . . . . 115 ALA H . 19075 1 351 . 1 1 115 115 ALA CA C 13 55.63 0.2 . 1 . . . . 115 ALA CA . 19075 1 352 . 1 1 115 115 ALA CB C 13 18.94 0.2 . 1 . . . . 115 ALA CB . 19075 1 353 . 1 1 115 115 ALA N N 15 121.15 0.2 . 1 . . . . 115 ALA N . 19075 1 354 . 1 1 118 118 GLU C C 13 178.16 0.2 . 1 . . . . 118 GLU C . 19075 1 355 . 1 1 118 118 GLU CB C 13 28.32 0.2 . 1 . . . . 118 GLU CB . 19075 1 356 . 1 1 119 119 MET H H 1 7.58 0.04 . 1 . . . . 119 MET H . 19075 1 357 . 1 1 119 119 MET C C 13 173.56 0.2 . 1 . . . . 119 MET C . 19075 1 358 . 1 1 119 119 MET CA C 13 56.14 0.2 . 1 . . . . 119 MET CA . 19075 1 359 . 1 1 119 119 MET CB C 13 30.75 0.2 . 1 . . . . 119 MET CB . 19075 1 360 . 1 1 119 119 MET N N 15 120.11 0.2 . 1 . . . . 119 MET N . 19075 1 361 . 1 1 120 120 GLN H H 1 7.48 0.04 . 1 . . . . 120 GLN H . 19075 1 362 . 1 1 120 120 GLN C C 13 175.96 0.2 . 1 . . . . 120 GLN C . 19075 1 363 . 1 1 120 120 GLN CB C 13 24.47 0.2 . 1 . . . . 120 GLN CB . 19075 1 364 . 1 1 120 120 GLN N N 15 108.99 0.2 . 1 . . . . 120 GLN N . 19075 1 365 . 1 1 121 121 GLY H H 1 8.08 0.04 . 1 . . . . 121 GLY H . 19075 1 366 . 1 1 121 121 GLY CA C 13 44.35 0.2 . 1 . . . . 121 GLY CA . 19075 1 367 . 1 1 121 121 GLY N N 15 105.77 0.2 . 1 . . . . 121 GLY N . 19075 1 368 . 1 1 125 125 PRO C C 13 176.02 0.2 . 1 . . . . 125 PRO C . 19075 1 369 . 1 1 125 125 PRO CA C 13 61.84 0.2 . 1 . . . . 125 PRO CA . 19075 1 370 . 1 1 125 125 PRO CB C 13 29.96 0.2 . 1 . . . . 125 PRO CB . 19075 1 371 . 1 1 126 126 TRP H H 1 9.09 0.04 . 1 . . . . 126 TRP H . 19075 1 372 . 1 1 126 126 TRP C C 13 173.38 0.2 . 1 . . . . 126 TRP C . 19075 1 373 . 1 1 126 126 TRP CA C 13 56.55 0.2 . 1 . . . . 126 TRP CA . 19075 1 374 . 1 1 126 126 TRP CB C 13 31.55 0.2 . 1 . . . . 126 TRP CB . 19075 1 375 . 1 1 126 126 TRP N N 15 124.96 0.2 . 1 . . . . 126 TRP N . 19075 1 376 . 1 1 127 127 ARG C C 13 172.42 0.2 . 1 . . . . 127 ARG C . 19075 1 377 . 1 1 127 127 ARG CA C 13 52.76 0.2 . 1 . . . . 127 ARG CA . 19075 1 378 . 1 1 127 127 ARG CB C 13 33.08 0.2 . 1 . . . . 127 ARG CB . 19075 1 379 . 1 1 128 128 CYS H H 1 6.31 0.04 . 1 . . . . 128 CYS H . 19075 1 380 . 1 1 128 128 CYS C C 13 173.28 0.2 . 1 . . . . 128 CYS C . 19075 1 381 . 1 1 128 128 CYS CA C 13 53.52 0.2 . 1 . . . . 128 CYS CA . 19075 1 382 . 1 1 128 128 CYS CB C 13 31.70 0.2 . 1 . . . . 128 CYS CB . 19075 1 383 . 1 1 128 128 CYS N N 15 113.81 0.2 . 1 . . . . 128 CYS N . 19075 1 384 . 1 1 130 130 ARG H H 1 8.67 0.04 . 1 . . . . 130 ARG H . 19075 1 385 . 1 1 130 130 ARG CA C 13 57.57 0.2 . 1 . . . . 130 ARG CA . 19075 1 386 . 1 1 130 130 ARG CB C 13 24.89 0.2 . 1 . . . . 130 ARG CB . 19075 1 387 . 1 1 130 130 ARG N N 15 123.71 0.2 . 1 . . . . 130 ARG N . 19075 1 388 . 1 1 131 131 VAL C C 13 172.28 0.2 . 1 . . . . 131 VAL C . 19075 1 389 . 1 1 131 131 VAL CA C 13 60.47 0.2 . 1 . . . . 131 VAL CA . 19075 1 390 . 1 1 132 132 ASP H H 1 8.16 0.04 . 1 . . . . 132 ASP H . 19075 1 391 . 1 1 132 132 ASP C C 13 177.72 0.2 . 1 . . . . 132 ASP C . 19075 1 392 . 1 1 132 132 ASP CA C 13 54.56 0.2 . 1 . . . . 132 ASP CA . 19075 1 393 . 1 1 132 132 ASP CB C 13 38.25 0.2 . 1 . . . . 132 ASP CB . 19075 1 394 . 1 1 132 132 ASP N N 15 124.23 0.2 . 1 . . . . 132 ASP N . 19075 1 395 . 1 1 133 133 THR H H 1 8.63 0.04 . 1 . . . . 133 THR H . 19075 1 396 . 1 1 133 133 THR C C 13 174.07 0.2 . 1 . . . . 133 THR C . 19075 1 397 . 1 1 133 133 THR CA C 13 59.25 0.2 . 1 . . . . 133 THR CA . 19075 1 398 . 1 1 133 133 THR CB C 13 67.68 0.2 . 1 . . . . 133 THR CB . 19075 1 399 . 1 1 133 133 THR N N 15 117.38 0.2 . 1 . . . . 133 THR N . 19075 1 400 . 1 1 134 134 PRO C C 13 177.69 0.2 . 1 . . . . 134 PRO C . 19075 1 401 . 1 1 134 134 PRO CA C 13 62.69 0.2 . 1 . . . . 134 PRO CA . 19075 1 402 . 1 1 134 134 PRO CB C 13 31.98 0.2 . 1 . . . . 134 PRO CB . 19075 1 403 . 1 1 135 135 GLU H H 1 8.68 0.04 . 1 . . . . 135 GLU H . 19075 1 404 . 1 1 135 135 GLU C C 13 178.87 0.2 . 1 . . . . 135 GLU C . 19075 1 405 . 1 1 135 135 GLU CA C 13 59.69 0.2 . 1 . . . . 135 GLU CA . 19075 1 406 . 1 1 135 135 GLU CB C 13 28.28 0.2 . 1 . . . . 135 GLU CB . 19075 1 407 . 1 1 135 135 GLU N N 15 124.40 0.2 . 1 . . . . 135 GLU N . 19075 1 408 . 1 1 136 136 ASP H H 1 8.49 0.04 . 1 . . . . 136 ASP H . 19075 1 409 . 1 1 136 136 ASP C C 13 176.57 0.2 . 1 . . . . 136 ASP C . 19075 1 410 . 1 1 136 136 ASP CA C 13 55.16 0.2 . 1 . . . . 136 ASP CA . 19075 1 411 . 1 1 136 136 ASP CB C 13 38.62 0.2 . 1 . . . . 136 ASP CB . 19075 1 412 . 1 1 136 136 ASP N N 15 117.92 0.2 . 1 . . . . 136 ASP N . 19075 1 413 . 1 1 137 137 THR H H 1 8.00 0.04 . 1 . . . . 137 THR H . 19075 1 414 . 1 1 137 137 THR C C 13 174.55 0.2 . 1 . . . . 137 THR C . 19075 1 415 . 1 1 137 137 THR CA C 13 61.75 0.2 . 1 . . . . 137 THR CA . 19075 1 416 . 1 1 137 137 THR CB C 13 69.61 0.2 . 1 . . . . 137 THR CB . 19075 1 417 . 1 1 137 137 THR N N 15 110.64 0.2 . 1 . . . . 137 THR N . 19075 1 418 . 1 1 138 138 THR H H 1 7.55 0.04 . 1 . . . . 138 THR H . 19075 1 419 . 1 1 138 138 THR C C 13 172.84 0.2 . 1 . . . . 138 THR C . 19075 1 420 . 1 1 138 138 THR CA C 13 61.82 0.2 . 1 . . . . 138 THR CA . 19075 1 421 . 1 1 138 138 THR CB C 13 68.80 0.2 . 1 . . . . 138 THR CB . 19075 1 422 . 1 1 138 138 THR N N 15 123.91 0.2 . 1 . . . . 138 THR N . 19075 1 423 . 1 1 139 139 PRO C C 13 176.09 0.2 . 1 . . . . 139 PRO C . 19075 1 424 . 1 1 139 139 PRO CA C 13 61.98 0.2 . 1 . . . . 139 PRO CA . 19075 1 425 . 1 1 140 140 ASP H H 1 8.27 0.04 . 1 . . . . 140 ASP H . 19075 1 426 . 1 1 140 140 ASP C C 13 175.92 0.2 . 1 . . . . 140 ASP C . 19075 1 427 . 1 1 140 140 ASP CA C 13 54.17 0.2 . 1 . . . . 140 ASP CA . 19075 1 428 . 1 1 140 140 ASP CB C 13 40.15 0.2 . 1 . . . . 140 ASP CB . 19075 1 429 . 1 1 140 140 ASP N N 15 120.06 0.2 . 1 . . . . 140 ASP N . 19075 1 430 . 1 1 141 141 ASN H H 1 8.64 0.04 . 1 . . . . 141 ASN H . 19075 1 431 . 1 1 141 141 ASN C C 13 175.04 0.2 . 1 . . . . 141 ASN C . 19075 1 432 . 1 1 141 141 ASN CA C 13 53.28 0.2 . 1 . . . . 141 ASN CA . 19075 1 433 . 1 1 141 141 ASN CB C 13 38.80 0.2 . 1 . . . . 141 ASN CB . 19075 1 434 . 1 1 141 141 ASN N N 15 117.40 0.2 . 1 . . . . 141 ASN N . 19075 1 435 . 1 1 142 142 GLY C C 13 176.14 0.2 . 1 . . . . 142 GLY C . 19075 1 436 . 1 1 143 143 ARG H H 1 8.98 0.04 . 1 . . . . 143 ARG H . 19075 1 437 . 1 1 143 143 ARG CA C 13 56.32 0.2 . 1 . . . . 143 ARG CA . 19075 1 438 . 1 1 143 143 ARG CB C 13 29.95 0.2 . 1 . . . . 143 ARG CB . 19075 1 439 . 1 1 143 143 ARG N N 15 120.30 0.2 . 1 . . . . 143 ARG N . 19075 1 440 . 1 1 148 148 ASP C C 13 176.43 0.2 . 1 . . . . 148 ASP C . 19075 1 441 . 1 1 148 148 ASP CA C 13 52.85 0.2 . 1 . . . . 148 ASP CA . 19075 1 442 . 1 1 148 148 ASP CB C 13 39.20 0.2 . 1 . . . . 148 ASP CB . 19075 1 443 . 1 1 149 149 LYS H H 1 6.46 0.04 . 1 . . . . 149 LYS H . 19075 1 444 . 1 1 149 149 LYS C C 13 172.92 0.2 . 1 . . . . 149 LYS C . 19075 1 445 . 1 1 149 149 LYS CA C 13 53.70 0.2 . 1 . . . . 149 LYS CA . 19075 1 446 . 1 1 149 149 LYS CB C 13 35.53 0.2 . 1 . . . . 149 LYS CB . 19075 1 447 . 1 1 149 149 LYS N N 15 118.79 0.2 . 1 . . . . 149 LYS N . 19075 1 448 . 1 1 150 150 ASP H H 1 7.22 0.04 . 1 . . . . 150 ASP H . 19075 1 449 . 1 1 150 150 ASP C C 13 176.64 0.2 . 1 . . . . 150 ASP C . 19075 1 450 . 1 1 150 150 ASP CA C 13 51.43 0.2 . 1 . . . . 150 ASP CA . 19075 1 451 . 1 1 150 150 ASP CB C 13 42.50 0.2 . 1 . . . . 150 ASP CB . 19075 1 452 . 1 1 150 150 ASP N N 15 116.07 0.2 . 1 . . . . 150 ASP N . 19075 1 453 . 1 1 151 151 ALA H H 1 8.66 0.04 . 1 . . . . 151 ALA H . 19075 1 454 . 1 1 151 151 ALA C C 13 179.37 0.2 . 1 . . . . 151 ALA C . 19075 1 455 . 1 1 151 151 ALA CA C 13 55.24 0.2 . 1 . . . . 151 ALA CA . 19075 1 456 . 1 1 151 151 ALA CB C 13 18.94 0.2 . 1 . . . . 151 ALA CB . 19075 1 457 . 1 1 151 151 ALA N N 15 119.97 0.2 . 1 . . . . 151 ALA N . 19075 1 458 . 1 1 152 152 ASP H H 1 7.90 0.04 . 1 . . . . 152 ASP H . 19075 1 459 . 1 1 152 152 ASP C C 13 179.29 0.2 . 1 . . . . 152 ASP C . 19075 1 460 . 1 1 152 152 ASP CA C 13 56.93 0.2 . 1 . . . . 152 ASP CA . 19075 1 461 . 1 1 152 152 ASP CB C 13 40.08 0.2 . 1 . . . . 152 ASP CB . 19075 1 462 . 1 1 152 152 ASP N N 15 115.66 0.2 . 1 . . . . 152 ASP N . 19075 1 463 . 1 1 153 153 TYR H H 1 8.03 0.04 . 1 . . . . 153 TYR H . 19075 1 464 . 1 1 153 153 TYR C C 13 177.47 0.2 . 1 . . . . 153 TYR C . 19075 1 465 . 1 1 153 153 TYR CA C 13 61.47 0.2 . 1 . . . . 153 TYR CA . 19075 1 466 . 1 1 153 153 TYR CB C 13 37.63 0.2 . 1 . . . . 153 TYR CB . 19075 1 467 . 1 1 153 153 TYR N N 15 122.10 0.2 . 1 . . . . 153 TYR N . 19075 1 468 . 1 1 154 154 VAL H H 1 8.52 0.04 . 1 . . . . 154 VAL H . 19075 1 469 . 1 1 154 154 VAL C C 13 177.50 0.2 . 1 . . . . 154 VAL C . 19075 1 470 . 1 1 154 154 VAL CA C 13 67.96 0.2 . 1 . . . . 154 VAL CA . 19075 1 471 . 1 1 154 154 VAL CB C 13 31.36 0.2 . 1 . . . . 154 VAL CB . 19075 1 472 . 1 1 154 154 VAL N N 15 123.22 0.2 . 1 . . . . 154 VAL N . 19075 1 473 . 1 1 155 155 ARG H H 1 9.00 0.04 . 1 . . . . 155 ARG H . 19075 1 474 . 1 1 155 155 ARG C C 13 180.64 0.2 . 1 . . . . 155 ARG C . 19075 1 475 . 1 1 155 155 ARG CA C 13 60.02 0.2 . 1 . . . . 155 ARG CA . 19075 1 476 . 1 1 155 155 ARG CB C 13 28.93 0.2 . 1 . . . . 155 ARG CB . 19075 1 477 . 1 1 155 155 ARG N N 15 122.02 0.2 . 1 . . . . 155 ARG N . 19075 1 478 . 1 1 156 156 THR H H 1 8.30 0.04 . 1 . . . . 156 THR H . 19075 1 479 . 1 1 156 156 THR C C 13 177.30 0.2 . 1 . . . . 156 THR C . 19075 1 480 . 1 1 156 156 THR CA C 13 66.21 0.2 . 1 . . . . 156 THR CA . 19075 1 481 . 1 1 156 156 THR CB C 13 68.44 0.2 . 1 . . . . 156 THR CB . 19075 1 482 . 1 1 156 156 THR N N 15 116.39 0.2 . 1 . . . . 156 THR N . 19075 1 483 . 1 1 157 157 PHE H H 1 9.32 0.04 . 1 . . . . 157 PHE H . 19075 1 484 . 1 1 157 157 PHE C C 13 178.21 0.2 . 1 . . . . 157 PHE C . 19075 1 485 . 1 1 157 157 PHE CA C 13 61.69 0.2 . 1 . . . . 157 PHE CA . 19075 1 486 . 1 1 157 157 PHE CB C 13 37.99 0.2 . 1 . . . . 157 PHE CB . 19075 1 487 . 1 1 157 157 PHE N N 15 126.45 0.2 . 1 . . . . 157 PHE N . 19075 1 488 . 1 1 158 158 PHE H H 1 8.59 0.04 . 1 . . . . 158 PHE H . 19075 1 489 . 1 1 158 158 PHE C C 13 179.47 0.2 . 1 . . . . 158 PHE C . 19075 1 490 . 1 1 158 158 PHE CA C 13 62.28 0.2 . 1 . . . . 158 PHE CA . 19075 1 491 . 1 1 158 158 PHE CB C 13 39.00 0.2 . 1 . . . . 158 PHE CB . 19075 1 492 . 1 1 158 158 PHE N N 15 114.57 0.2 . 1 . . . . 158 PHE N . 19075 1 493 . 1 1 159 159 GLN H H 1 7.93 0.04 . 1 . . . . 159 GLN H . 19075 1 494 . 1 1 159 159 GLN C C 13 180.34 0.2 . 1 . . . . 159 GLN C . 19075 1 495 . 1 1 159 159 GLN CA C 13 59.05 0.2 . 1 . . . . 159 GLN CA . 19075 1 496 . 1 1 159 159 GLN CB C 13 26.78 0.2 . 1 . . . . 159 GLN CB . 19075 1 497 . 1 1 159 159 GLN N N 15 122.18 0.2 . 1 . . . . 159 GLN N . 19075 1 498 . 1 1 160 160 ARG C C 13 174.98 0.2 . 1 . . . . 160 ARG C . 19075 1 499 . 1 1 161 161 LEU H H 1 6.76 0.04 . 1 . . . . 161 LEU H . 19075 1 500 . 1 1 161 161 LEU C C 13 175.80 0.2 . 1 . . . . 161 LEU C . 19075 1 501 . 1 1 161 161 LEU CA C 13 53.57 0.2 . 1 . . . . 161 LEU CA . 19075 1 502 . 1 1 161 161 LEU CB C 13 42.71 0.2 . 1 . . . . 161 LEU CB . 19075 1 503 . 1 1 161 161 LEU N N 15 112.56 0.2 . 1 . . . . 161 LEU N . 19075 1 504 . 1 1 162 162 ASN H H 1 7.99 0.04 . 1 . . . . 162 ASN H . 19075 1 505 . 1 1 162 162 ASN C C 13 174.18 0.2 . 1 . . . . 162 ASN C . 19075 1 506 . 1 1 162 162 ASN CA C 13 53.43 0.2 . 1 . . . . 162 ASN CA . 19075 1 507 . 1 1 162 162 ASN CB C 13 37.45 0.2 . 1 . . . . 162 ASN CB . 19075 1 508 . 1 1 162 162 ASN N N 15 113.67 0.2 . 1 . . . . 162 ASN N . 19075 1 509 . 1 1 163 163 MET H H 1 7.69 0.04 . 1 . . . . 163 MET H . 19075 1 510 . 1 1 163 163 MET C C 13 176.54 0.2 . 1 . . . . 163 MET C . 19075 1 511 . 1 1 163 163 MET CA C 13 52.70 0.2 . 1 . . . . 163 MET CA . 19075 1 512 . 1 1 163 163 MET CB C 13 33.09 0.2 . 1 . . . . 163 MET CB . 19075 1 513 . 1 1 163 163 MET N N 15 114.27 0.2 . 1 . . . . 163 MET N . 19075 1 514 . 1 1 164 164 ASN H H 1 9.99 0.04 . 1 . . . . 164 ASN H . 19075 1 515 . 1 1 164 164 ASN C C 13 174.52 0.2 . 1 . . . . 164 ASN C . 19075 1 516 . 1 1 164 164 ASN CA C 13 50.44 0.2 . 1 . . . . 164 ASN CA . 19075 1 517 . 1 1 164 164 ASN CB C 13 38.51 0.2 . 1 . . . . 164 ASN CB . 19075 1 518 . 1 1 164 164 ASN N N 15 126.44 0.2 . 1 . . . . 164 ASN N . 19075 1 519 . 1 1 165 165 ASP H H 1 8.11 0.04 . 1 . . . . 165 ASP H . 19075 1 520 . 1 1 165 165 ASP C C 13 176.96 0.2 . 1 . . . . 165 ASP C . 19075 1 521 . 1 1 165 165 ASP CA C 13 57.57 0.2 . 1 . . . . 165 ASP CA . 19075 1 522 . 1 1 165 165 ASP CB C 13 40.28 0.2 . 1 . . . . 165 ASP CB . 19075 1 523 . 1 1 165 165 ASP N N 15 114.91 0.2 . 1 . . . . 165 ASP N . 19075 1 524 . 1 1 166 166 ARG H H 1 7.67 0.04 . 1 . . . . 166 ARG H . 19075 1 525 . 1 1 166 166 ARG C C 13 177.22 0.2 . 1 . . . . 166 ARG C . 19075 1 526 . 1 1 166 166 ARG CA C 13 60.09 0.2 . 1 . . . . 166 ARG CA . 19075 1 527 . 1 1 166 166 ARG CB C 13 29.30 0.2 . 1 . . . . 166 ARG CB . 19075 1 528 . 1 1 166 166 ARG N N 15 117.94 0.2 . 1 . . . . 166 ARG N . 19075 1 529 . 1 1 167 167 GLU H H 1 7.88 0.04 . 1 . . . . 167 GLU H . 19075 1 530 . 1 1 167 167 GLU CA C 13 59.02 0.2 . 1 . . . . 167 GLU CA . 19075 1 531 . 1 1 167 167 GLU CB C 13 29.63 0.2 . 1 . . . . 167 GLU CB . 19075 1 532 . 1 1 167 167 GLU N N 15 117.67 0.2 . 1 . . . . 167 GLU N . 19075 1 533 . 1 1 181 181 HIS C C 13 177.26 0.2 . 1 . . . . 181 HIS C . 19075 1 534 . 1 1 181 181 HIS CA C 13 54.54 0.2 . 1 . . . . 181 HIS CA . 19075 1 535 . 1 1 181 181 HIS CB C 13 29.72 0.2 . 1 . . . . 181 HIS CB . 19075 1 536 . 1 1 182 182 LEU H H 1 9.01 0.04 . 1 . . . . 182 LEU H . 19075 1 537 . 1 1 182 182 LEU C C 13 180.73 0.2 . 1 . . . . 182 LEU C . 19075 1 538 . 1 1 182 182 LEU CA C 13 59.44 0.2 . 1 . . . . 182 LEU CA . 19075 1 539 . 1 1 182 182 LEU CB C 13 41.93 0.2 . 1 . . . . 182 LEU CB . 19075 1 540 . 1 1 182 182 LEU N N 15 131.95 0.2 . 1 . . . . 182 LEU N . 19075 1 541 . 1 1 183 183 LYS H H 1 8.88 0.04 . 1 . . . . 183 LYS H . 19075 1 542 . 1 1 183 183 LYS C C 13 177.05 0.2 . 1 . . . . 183 LYS C . 19075 1 543 . 1 1 183 183 LYS CA C 13 57.51 0.2 . 1 . . . . 183 LYS CA . 19075 1 544 . 1 1 183 183 LYS CB C 13 31.03 0.2 . 1 . . . . 183 LYS CB . 19075 1 545 . 1 1 183 183 LYS N N 15 114.17 0.2 . 1 . . . . 183 LYS N . 19075 1 546 . 1 1 186 186 GLY C C 13 171.80 0.2 . 1 . . . . 186 GLY C . 19075 1 547 . 1 1 186 186 GLY CA C 13 45.11 0.2 . 1 . . . . 186 GLY CA . 19075 1 548 . 1 1 187 187 TYR H H 1 7.70 0.04 . 1 . . . . 187 TYR H . 19075 1 549 . 1 1 187 187 TYR C C 13 171.00 0.2 . 1 . . . . 187 TYR C . 19075 1 550 . 1 1 187 187 TYR CA C 13 58.33 0.2 . 1 . . . . 187 TYR CA . 19075 1 551 . 1 1 187 187 TYR CB C 13 39.99 0.2 . 1 . . . . 187 TYR CB . 19075 1 552 . 1 1 187 187 TYR N N 15 119.81 0.2 . 1 . . . . 187 TYR N . 19075 1 553 . 1 1 188 188 GLU C C 13 176.68 0.2 . 1 . . . . 188 GLU C . 19075 1 554 . 1 1 188 188 GLU CA C 13 54.70 0.2 . 1 . . . . 188 GLU CA . 19075 1 555 . 1 1 188 188 GLU CB C 13 32.22 0.2 . 1 . . . . 188 GLU CB . 19075 1 556 . 1 1 189 189 GLY H H 1 7.31 0.04 . 1 . . . . 189 GLY H . 19075 1 557 . 1 1 189 189 GLY CA C 13 43.00 0.2 . 1 . . . . 189 GLY CA . 19075 1 558 . 1 1 189 189 GLY N N 15 118.05 0.2 . 1 . . . . 189 GLY N . 19075 1 559 . 1 1 191 191 TRP C C 13 176.99 0.2 . 1 . . . . 191 TRP C . 19075 1 560 . 1 1 191 191 TRP CA C 13 60.44 0.2 . 1 . . . . 191 TRP CA . 19075 1 561 . 1 1 192 192 GLY H H 1 7.06 0.04 . 1 . . . . 192 GLY H . 19075 1 562 . 1 1 192 192 GLY C C 13 172.30 0.2 . 1 . . . . 192 GLY C . 19075 1 563 . 1 1 192 192 GLY CA C 13 44.52 0.2 . 1 . . . . 192 GLY CA . 19075 1 564 . 1 1 192 192 GLY N N 15 102.93 0.2 . 1 . . . . 192 GLY N . 19075 1 565 . 1 1 193 193 ALA H H 1 9.63 0.04 . 1 . . . . 193 ALA H . 19075 1 566 . 1 1 193 193 ALA C C 13 179.09 0.2 . 1 . . . . 193 ALA C . 19075 1 567 . 1 1 193 193 ALA CA C 13 52.75 0.2 . 1 . . . . 193 ALA CA . 19075 1 568 . 1 1 193 193 ALA CB C 13 19.83 0.2 . 1 . . . . 193 ALA CB . 19075 1 569 . 1 1 193 193 ALA N N 15 122.96 0.2 . 1 . . . . 193 ALA N . 19075 1 570 . 1 1 194 194 ALA H H 1 8.51 0.04 . 1 . . . . 194 ALA H . 19075 1 571 . 1 1 194 194 ALA C C 13 177.49 0.2 . 1 . . . . 194 ALA C . 19075 1 572 . 1 1 194 194 ALA CA C 13 50.84 0.2 . 1 . . . . 194 ALA CA . 19075 1 573 . 1 1 194 194 ALA CB C 13 16.58 0.2 . 1 . . . . 194 ALA CB . 19075 1 574 . 1 1 194 194 ALA N N 15 124.83 0.2 . 1 . . . . 194 ALA N . 19075 1 575 . 1 1 195 195 ASN H H 1 8.05 0.04 . 1 . . . . 195 ASN H . 19075 1 576 . 1 1 195 195 ASN CA C 13 54.27 0.2 . 1 . . . . 195 ASN CA . 19075 1 577 . 1 1 195 195 ASN CB C 13 38.13 0.2 . 1 . . . . 195 ASN CB . 19075 1 578 . 1 1 195 195 ASN N N 15 113.62 0.2 . 1 . . . . 195 ASN N . 19075 1 579 . 1 1 196 196 ASN C C 13 173.33 0.2 . 1 . . . . 196 ASN C . 19075 1 580 . 1 1 196 196 ASN CA C 13 51.52 0.2 . 1 . . . . 196 ASN CA . 19075 1 581 . 1 1 197 197 VAL H H 1 7.38 0.04 . 1 . . . . 197 VAL H . 19075 1 582 . 1 1 197 197 VAL C C 13 173.63 0.2 . 1 . . . . 197 VAL C . 19075 1 583 . 1 1 197 197 VAL CA C 13 60.83 0.2 . 1 . . . . 197 VAL CA . 19075 1 584 . 1 1 197 197 VAL CB C 13 33.95 0.2 . 1 . . . . 197 VAL CB . 19075 1 585 . 1 1 197 197 VAL N N 15 117.24 0.2 . 1 . . . . 197 VAL N . 19075 1 586 . 1 1 198 198 PHE H H 1 9.21 0.04 . 1 . . . . 198 PHE H . 19075 1 587 . 1 1 198 198 PHE C C 13 173.39 0.2 . 1 . . . . 198 PHE C . 19075 1 588 . 1 1 198 198 PHE CA C 13 58.90 0.2 . 1 . . . . 198 PHE CA . 19075 1 589 . 1 1 198 198 PHE CB C 13 38.65 0.2 . 1 . . . . 198 PHE CB . 19075 1 590 . 1 1 198 198 PHE N N 15 128.63 0.2 . 1 . . . . 198 PHE N . 19075 1 591 . 1 1 199 199 THR H H 1 6.58 0.04 . 1 . . . . 199 THR H . 19075 1 592 . 1 1 199 199 THR C C 13 173.33 0.2 . 1 . . . . 199 THR C . 19075 1 593 . 1 1 199 199 THR CA C 13 60.02 0.2 . 1 . . . . 199 THR CA . 19075 1 594 . 1 1 199 199 THR CB C 13 72.68 0.2 . 1 . . . . 199 THR CB . 19075 1 595 . 1 1 199 199 THR N N 15 117.52 0.2 . 1 . . . . 199 THR N . 19075 1 596 . 1 1 200 200 ASN H H 1 8.75 0.04 . 1 . . . . 200 ASN H . 19075 1 597 . 1 1 200 200 ASN C C 13 175.68 0.2 . 1 . . . . 200 ASN C . 19075 1 598 . 1 1 200 200 ASN CA C 13 52.67 0.2 . 1 . . . . 200 ASN CA . 19075 1 599 . 1 1 200 200 ASN CB C 13 36.64 0.2 . 1 . . . . 200 ASN CB . 19075 1 600 . 1 1 200 200 ASN N N 15 116.59 0.2 . 1 . . . . 200 ASN N . 19075 1 601 . 1 1 202 202 PHE C C 13 175.24 0.2 . 1 . . . . 202 PHE C . 19075 1 602 . 1 1 203 203 TYR H H 1 6.16 0.04 . 1 . . . . 203 TYR H . 19075 1 603 . 1 1 203 203 TYR C C 13 177.61 0.2 . 1 . . . . 203 TYR C . 19075 1 604 . 1 1 203 203 TYR CA C 13 59.39 0.2 . 1 . . . . 203 TYR CA . 19075 1 605 . 1 1 203 203 TYR CB C 13 36.60 0.2 . 1 . . . . 203 TYR CB . 19075 1 606 . 1 1 203 203 TYR N N 15 114.98 0.2 . 1 . . . . 203 TYR N . 19075 1 607 . 1 1 204 204 LEU H H 1 6.69 0.04 . 1 . . . . 204 LEU H . 19075 1 608 . 1 1 204 204 LEU C C 13 178.87 0.2 . 1 . . . . 204 LEU C . 19075 1 609 . 1 1 204 204 LEU CA C 13 57.37 0.2 . 1 . . . . 204 LEU CA . 19075 1 610 . 1 1 204 204 LEU CB C 13 40.53 0.2 . 1 . . . . 204 LEU CB . 19075 1 611 . 1 1 204 204 LEU N N 15 116.40 0.2 . 1 . . . . 204 LEU N . 19075 1 612 . 1 1 205 205 ASN H H 1 8.66 0.04 . 1 . . . . 205 ASN H . 19075 1 613 . 1 1 205 205 ASN CA C 13 55.08 0.2 . 1 . . . . 205 ASN CA . 19075 1 614 . 1 1 205 205 ASN CB C 13 34.77 0.2 . 1 . . . . 205 ASN CB . 19075 1 615 . 1 1 205 205 ASN N N 15 118.82 0.2 . 1 . . . . 205 ASN N . 19075 1 616 . 1 1 206 206 LEU C C 13 178.00 0.2 . 1 . . . . 206 LEU C . 19075 1 617 . 1 1 206 206 LEU CA C 13 58.09 0.2 . 1 . . . . 206 LEU CA . 19075 1 618 . 1 1 207 207 LEU H H 1 7.02 0.04 . 1 . . . . 207 LEU H . 19075 1 619 . 1 1 207 207 LEU C C 13 179.23 0.2 . 1 . . . . 207 LEU C . 19075 1 620 . 1 1 207 207 LEU CA C 13 56.14 0.2 . 1 . . . . 207 LEU CA . 19075 1 621 . 1 1 207 207 LEU CB C 13 42.06 0.2 . 1 . . . . 207 LEU CB . 19075 1 622 . 1 1 207 207 LEU N N 15 112.68 0.2 . 1 . . . . 207 LEU N . 19075 1 623 . 1 1 208 208 ASN H H 1 8.34 0.04 . 1 . . . . 208 ASN H . 19075 1 624 . 1 1 208 208 ASN C C 13 177.04 0.2 . 1 . . . . 208 ASN C . 19075 1 625 . 1 1 208 208 ASN CA C 13 54.31 0.2 . 1 . . . . 208 ASN CA . 19075 1 626 . 1 1 208 208 ASN CB C 13 39.56 0.2 . 1 . . . . 208 ASN CB . 19075 1 627 . 1 1 208 208 ASN N N 15 114.54 0.2 . 1 . . . . 208 ASN N . 19075 1 628 . 1 1 209 209 GLU H H 1 7.62 0.04 . 1 . . . . 209 GLU H . 19075 1 629 . 1 1 209 209 GLU C C 13 173.76 0.2 . 1 . . . . 209 GLU C . 19075 1 630 . 1 1 209 209 GLU CA C 13 54.85 0.2 . 1 . . . . 209 GLU CA . 19075 1 631 . 1 1 209 209 GLU CB C 13 29.23 0.2 . 1 . . . . 209 GLU CB . 19075 1 632 . 1 1 209 209 GLU N N 15 118.92 0.2 . 1 . . . . 209 GLU N . 19075 1 633 . 1 1 210 210 ASP H H 1 8.06 0.04 . 1 . . . . 210 ASP H . 19075 1 634 . 1 1 210 210 ASP C C 13 175.24 0.2 . 1 . . . . 210 ASP C . 19075 1 635 . 1 1 210 210 ASP CA C 13 52.36 0.2 . 1 . . . . 210 ASP CA . 19075 1 636 . 1 1 210 210 ASP CB C 13 40.25 0.2 . 1 . . . . 210 ASP CB . 19075 1 637 . 1 1 210 210 ASP N N 15 119.89 0.2 . 1 . . . . 210 ASP N . 19075 1 638 . 1 1 211 211 TRP H H 1 7.82 0.04 . 1 . . . . 211 TRP H . 19075 1 639 . 1 1 211 211 TRP C C 13 176.59 0.2 . 1 . . . . 211 TRP C . 19075 1 640 . 1 1 211 211 TRP CA C 13 56.01 0.2 . 1 . . . . 211 TRP CA . 19075 1 641 . 1 1 211 211 TRP CB C 13 32.37 0.2 . 1 . . . . 211 TRP CB . 19075 1 642 . 1 1 211 211 TRP N N 15 124.71 0.2 . 1 . . . . 211 TRP N . 19075 1 643 . 1 1 212 212 LYS H H 1 9.19 0.04 . 1 . . . . 212 LYS H . 19075 1 644 . 1 1 212 212 LYS C C 13 174.10 0.2 . 1 . . . . 212 LYS C . 19075 1 645 . 1 1 212 212 LYS CA C 13 54.69 0.2 . 1 . . . . 212 LYS CA . 19075 1 646 . 1 1 212 212 LYS CB C 13 35.07 0.2 . 1 . . . . 212 LYS CB . 19075 1 647 . 1 1 212 212 LYS N N 15 124.24 0.2 . 1 . . . . 212 LYS N . 19075 1 648 . 1 1 213 213 LEU H H 1 8.09 0.04 . 1 . . . . 213 LEU H . 19075 1 649 . 1 1 213 213 LEU C C 13 176.31 0.2 . 1 . . . . 213 LEU C . 19075 1 650 . 1 1 213 213 LEU CA C 13 54.44 0.2 . 1 . . . . 213 LEU CA . 19075 1 651 . 1 1 213 213 LEU CB C 13 39.22 0.2 . 1 . . . . 213 LEU CB . 19075 1 652 . 1 1 213 213 LEU N N 15 131.20 0.2 . 1 . . . . 213 LEU N . 19075 1 653 . 1 1 214 214 GLU H H 1 8.89 0.04 . 1 . . . . 214 GLU H . 19075 1 654 . 1 1 214 214 GLU C C 13 174.28 0.2 . 1 . . . . 214 GLU C . 19075 1 655 . 1 1 214 214 GLU CA C 13 54.01 0.2 . 1 . . . . 214 GLU CA . 19075 1 656 . 1 1 214 214 GLU CB C 13 31.72 0.2 . 1 . . . . 214 GLU CB . 19075 1 657 . 1 1 214 214 GLU N N 15 127.25 0.2 . 1 . . . . 214 GLU N . 19075 1 658 . 1 1 215 215 LYS H H 1 8.27 0.04 . 1 . . . . 215 LYS H . 19075 1 659 . 1 1 215 215 LYS C C 13 176.98 0.2 . 1 . . . . 215 LYS C . 19075 1 660 . 1 1 215 215 LYS CA C 13 55.13 0.2 . 1 . . . . 215 LYS CA . 19075 1 661 . 1 1 215 215 LYS CB C 13 32.65 0.2 . 1 . . . . 215 LYS CB . 19075 1 662 . 1 1 215 215 LYS N N 15 120.06 0.2 . 1 . . . . 215 LYS N . 19075 1 663 . 1 1 216 216 ASN H H 1 8.52 0.04 . 1 . . . . 216 ASN H . 19075 1 664 . 1 1 216 216 ASN C C 13 178.14 0.2 . 1 . . . . 216 ASN C . 19075 1 665 . 1 1 216 216 ASN CA C 13 50.58 0.2 . 1 . . . . 216 ASN CA . 19075 1 666 . 1 1 216 216 ASN CB C 13 38.67 0.2 . 1 . . . . 216 ASN CB . 19075 1 667 . 1 1 216 216 ASN N N 15 122.89 0.2 . 1 . . . . 216 ASN N . 19075 1 668 . 1 1 217 217 ASP H H 1 8.73 0.04 . 1 . . . . 217 ASP H . 19075 1 669 . 1 1 217 217 ASP C C 13 176.66 0.2 . 1 . . . . 217 ASP C . 19075 1 670 . 1 1 217 217 ASP CA C 13 56.47 0.2 . 1 . . . . 217 ASP CA . 19075 1 671 . 1 1 217 217 ASP CB C 13 39.87 0.2 . 1 . . . . 217 ASP CB . 19075 1 672 . 1 1 217 217 ASP N N 15 117.57 0.2 . 1 . . . . 217 ASP N . 19075 1 673 . 1 1 218 218 ALA C C 13 175.80 0.2 . 1 . . . . 218 ALA C . 19075 1 674 . 1 1 218 218 ALA CA C 13 51.00 0.2 . 1 . . . . 218 ALA CA . 19075 1 675 . 1 1 218 218 ALA CB C 13 17.55 0.2 . 1 . . . . 218 ALA CB . 19075 1 676 . 1 1 219 219 ASN H H 1 8.20 0.04 . 1 . . . . 219 ASN H . 19075 1 677 . 1 1 219 219 ASN C C 13 173.81 0.2 . 1 . . . . 219 ASN C . 19075 1 678 . 1 1 219 219 ASN CA C 13 54.29 0.2 . 1 . . . . 219 ASN CA . 19075 1 679 . 1 1 219 219 ASN CB C 13 36.80 0.2 . 1 . . . . 219 ASN CB . 19075 1 680 . 1 1 219 219 ASN N N 15 112.99 0.2 . 1 . . . . 219 ASN N . 19075 1 681 . 1 1 220 220 ASN H H 1 7.47 0.04 . 1 . . . . 220 ASN H . 19075 1 682 . 1 1 220 220 ASN C C 13 174.40 0.2 . 1 . . . . 220 ASN C . 19075 1 683 . 1 1 220 220 ASN CA C 13 51.28 0.2 . 1 . . . . 220 ASN CA . 19075 1 684 . 1 1 220 220 ASN CB C 13 39.68 0.2 . 1 . . . . 220 ASN CB . 19075 1 685 . 1 1 220 220 ASN N N 15 115.73 0.2 . 1 . . . . 220 ASN N . 19075 1 686 . 1 1 221 221 GLU H H 1 8.31 0.04 . 1 . . . . 221 GLU H . 19075 1 687 . 1 1 221 221 GLU C C 13 175.38 0.2 . 1 . . . . 221 GLU C . 19075 1 688 . 1 1 221 221 GLU CA C 13 55.41 0.2 . 1 . . . . 221 GLU CA . 19075 1 689 . 1 1 221 221 GLU CB C 13 29.36 0.2 . 1 . . . . 221 GLU CB . 19075 1 690 . 1 1 221 221 GLU N N 15 120.08 0.2 . 1 . . . . 221 GLU N . 19075 1 691 . 1 1 222 222 GLN H H 1 8.83 0.04 . 1 . . . . 222 GLN H . 19075 1 692 . 1 1 222 222 GLN CA C 13 53.75 0.2 . 1 . . . . 222 GLN CA . 19075 1 693 . 1 1 222 222 GLN CB C 13 31.81 0.2 . 1 . . . . 222 GLN CB . 19075 1 694 . 1 1 222 222 GLN N N 15 117.65 0.2 . 1 . . . . 222 GLN N . 19075 1 695 . 1 1 223 223 TRP C C 13 174.73 0.2 . 1 . . . . 223 TRP C . 19075 1 696 . 1 1 223 223 TRP CA C 13 55.64 0.2 . 1 . . . . 223 TRP CA . 19075 1 697 . 1 1 223 223 TRP CB C 13 28.72 0.2 . 1 . . . . 223 TRP CB . 19075 1 698 . 1 1 224 224 ASP H H 1 9.49 0.04 . 1 . . . . 224 ASP H . 19075 1 699 . 1 1 224 224 ASP C C 13 176.51 0.2 . 1 . . . . 224 ASP C . 19075 1 700 . 1 1 224 224 ASP CA C 13 51.91 0.2 . 1 . . . . 224 ASP CA . 19075 1 701 . 1 1 224 224 ASP CB C 13 42.46 0.2 . 1 . . . . 224 ASP CB . 19075 1 702 . 1 1 224 224 ASP N N 15 120.55 0.2 . 1 . . . . 224 ASP N . 19075 1 703 . 1 1 225 225 SER H H 1 8.84 0.04 . 1 . . . . 225 SER H . 19075 1 704 . 1 1 225 225 SER C C 13 177.04 0.2 . 1 . . . . 225 SER C . 19075 1 705 . 1 1 225 225 SER CA C 13 54.69 0.2 . 1 . . . . 225 SER CA . 19075 1 706 . 1 1 225 225 SER CB C 13 65.09 0.2 . 1 . . . . 225 SER CB . 19075 1 707 . 1 1 225 225 SER N N 15 118.88 0.2 . 1 . . . . 225 SER N . 19075 1 708 . 1 1 226 226 LYS H H 1 8.63 0.04 . 1 . . . . 226 LYS H . 19075 1 709 . 1 1 226 226 LYS C C 13 177.58 0.2 . 1 . . . . 226 LYS C . 19075 1 710 . 1 1 226 226 LYS CA C 13 57.84 0.2 . 1 . . . . 226 LYS CA . 19075 1 711 . 1 1 226 226 LYS CB C 13 30.61 0.2 . 1 . . . . 226 LYS CB . 19075 1 712 . 1 1 226 226 LYS N N 15 124.89 0.2 . 1 . . . . 226 LYS N . 19075 1 713 . 1 1 227 227 SER H H 1 7.35 0.04 . 1 . . . . 227 SER H . 19075 1 714 . 1 1 227 227 SER C C 13 173.16 0.2 . 1 . . . . 227 SER C . 19075 1 715 . 1 1 227 227 SER CA C 13 57.39 0.2 . 1 . . . . 227 SER CA . 19075 1 716 . 1 1 227 227 SER CB C 13 61.42 0.2 . 1 . . . . 227 SER CB . 19075 1 717 . 1 1 227 227 SER N N 15 112.92 0.2 . 1 . . . . 227 SER N . 19075 1 718 . 1 1 228 228 GLY H H 1 7.57 0.04 . 1 . . . . 228 GLY H . 19075 1 719 . 1 1 228 228 GLY C C 13 174.12 0.2 . 1 . . . . 228 GLY C . 19075 1 720 . 1 1 228 228 GLY CA C 13 44.17 0.2 . 1 . . . . 228 GLY CA . 19075 1 721 . 1 1 228 228 GLY N N 15 106.63 0.2 . 1 . . . . 228 GLY N . 19075 1 722 . 1 1 229 229 TYR H H 1 6.35 0.04 . 1 . . . . 229 TYR H . 19075 1 723 . 1 1 229 229 TYR C C 13 174.82 0.2 . 1 . . . . 229 TYR C . 19075 1 724 . 1 1 229 229 TYR CA C 13 52.28 0.2 . 1 . . . . 229 TYR CA . 19075 1 725 . 1 1 229 229 TYR CB C 13 38.80 0.2 . 1 . . . . 229 TYR CB . 19075 1 726 . 1 1 229 229 TYR N N 15 119.96 0.2 . 1 . . . . 229 TYR N . 19075 1 727 . 1 1 230 230 MET H H 1 9.12 0.04 . 1 . . . . 230 MET H . 19075 1 728 . 1 1 230 230 MET C C 13 172.55 0.2 . 1 . . . . 230 MET C . 19075 1 729 . 1 1 230 230 MET CA C 13 53.04 0.2 . 1 . . . . 230 MET CA . 19075 1 730 . 1 1 230 230 MET CB C 13 36.39 0.2 . 1 . . . . 230 MET CB . 19075 1 731 . 1 1 230 230 MET N N 15 123.81 0.2 . 1 . . . . 230 MET N . 19075 1 732 . 1 1 231 231 MET H H 1 8.61 0.04 . 1 . . . . 231 MET H . 19075 1 733 . 1 1 231 231 MET CA C 13 52.99 0.2 . 1 . . . . 231 MET CA . 19075 1 734 . 1 1 231 231 MET CB C 13 35.07 0.2 . 1 . . . . 231 MET CB . 19075 1 735 . 1 1 231 231 MET N N 15 112.80 0.2 . 1 . . . . 231 MET N . 19075 1 736 . 1 1 236 236 TYR C C 13 177.07 0.2 . 1 . . . . 236 TYR C . 19075 1 737 . 1 1 237 237 SER H H 1 7.69 0.04 . 1 . . . . 237 SER H . 19075 1 738 . 1 1 237 237 SER CA C 13 61.51 0.2 . 1 . . . . 237 SER CA . 19075 1 739 . 1 1 237 237 SER CB C 13 62.27 0.2 . 1 . . . . 237 SER CB . 19075 1 740 . 1 1 237 237 SER N N 15 113.50 0.2 . 1 . . . . 237 SER N . 19075 1 741 . 1 1 240 240 GLN C C 13 175.82 0.2 . 1 . . . . 240 GLN C . 19075 1 742 . 1 1 240 240 GLN CA C 13 55.76 0.2 . 1 . . . . 240 GLN CA . 19075 1 743 . 1 1 241 241 ASP H H 1 7.22 0.04 . 1 . . . . 241 ASP H . 19075 1 744 . 1 1 241 241 ASP CA C 13 50.39 0.2 . 1 . . . . 241 ASP CA . 19075 1 745 . 1 1 241 241 ASP CB C 13 43.86 0.2 . 1 . . . . 241 ASP CB . 19075 1 746 . 1 1 241 241 ASP N N 15 122.85 0.2 . 1 . . . . 241 ASP N . 19075 1 747 . 1 1 242 242 PRO C C 13 179.40 0.2 . 1 . . . . 242 PRO C . 19075 1 748 . 1 1 242 242 PRO CA C 13 64.62 0.2 . 1 . . . . 242 PRO CA . 19075 1 749 . 1 1 243 243 LYS H H 1 7.44 0.04 . 1 . . . . 243 LYS H . 19075 1 750 . 1 1 243 243 LYS C C 13 180.29 0.2 . 1 . . . . 243 LYS C . 19075 1 751 . 1 1 243 243 LYS CA C 13 58.15 0.2 . 1 . . . . 243 LYS CA . 19075 1 752 . 1 1 243 243 LYS CB C 13 30.68 0.2 . 1 . . . . 243 LYS CB . 19075 1 753 . 1 1 243 243 LYS N N 15 118.80 0.2 . 1 . . . . 243 LYS N . 19075 1 754 . 1 1 244 244 TYR H H 1 8.47 0.04 . 1 . . . . 244 TYR H . 19075 1 755 . 1 1 244 244 TYR C C 13 178.92 0.2 . 1 . . . . 244 TYR C . 19075 1 756 . 1 1 244 244 TYR CA C 13 57.26 0.2 . 1 . . . . 244 TYR CA . 19075 1 757 . 1 1 244 244 TYR CB C 13 36.76 0.2 . 1 . . . . 244 TYR CB . 19075 1 758 . 1 1 244 244 TYR N N 15 121.12 0.2 . 1 . . . . 244 TYR N . 19075 1 759 . 1 1 245 245 LEU H H 1 8.67 0.04 . 1 . . . . 245 LEU H . 19075 1 760 . 1 1 245 245 LEU C C 13 178.19 0.2 . 1 . . . . 245 LEU C . 19075 1 761 . 1 1 245 245 LEU CA C 13 57.90 0.2 . 1 . . . . 245 LEU CA . 19075 1 762 . 1 1 245 245 LEU CB C 13 40.43 0.2 . 1 . . . . 245 LEU CB . 19075 1 763 . 1 1 245 245 LEU N N 15 122.22 0.2 . 1 . . . . 245 LEU N . 19075 1 764 . 1 1 246 246 SER H H 1 7.01 0.04 . 1 . . . . 246 SER H . 19075 1 765 . 1 1 246 246 SER C C 13 176.50 0.2 . 1 . . . . 246 SER C . 19075 1 766 . 1 1 246 246 SER CA C 13 61.10 0.2 . 1 . . . . 246 SER CA . 19075 1 767 . 1 1 246 246 SER CB C 13 62.44 0.2 . 1 . . . . 246 SER CB . 19075 1 768 . 1 1 246 246 SER N N 15 110.18 0.2 . 1 . . . . 246 SER N . 19075 1 769 . 1 1 247 247 ILE H H 1 7.18 0.04 . 1 . . . . 247 ILE H . 19075 1 770 . 1 1 247 247 ILE C C 13 176.54 0.2 . 1 . . . . 247 ILE C . 19075 1 771 . 1 1 247 247 ILE CA C 13 63.95 0.2 . 1 . . . . 247 ILE CA . 19075 1 772 . 1 1 247 247 ILE CB C 13 37.09 0.2 . 1 . . . . 247 ILE CB . 19075 1 773 . 1 1 247 247 ILE N N 15 123.49 0.2 . 1 . . . . 247 ILE N . 19075 1 774 . 1 1 248 248 VAL C C 13 178.24 0.2 . 1 . . . . 248 VAL C . 19075 1 775 . 1 1 249 249 LYS H H 1 7.97 0.04 . 1 . . . . 249 LYS H . 19075 1 776 . 1 1 249 249 LYS C C 13 178.92 0.2 . 1 . . . . 249 LYS C . 19075 1 777 . 1 1 249 249 LYS CA C 13 59.54 0.2 . 1 . . . . 249 LYS CA . 19075 1 778 . 1 1 249 249 LYS CB C 13 31.69 0.2 . 1 . . . . 249 LYS CB . 19075 1 779 . 1 1 249 249 LYS N N 15 115.66 0.2 . 1 . . . . 249 LYS N . 19075 1 780 . 1 1 250 250 GLU H H 1 7.09 0.04 . 1 . . . . 250 GLU H . 19075 1 781 . 1 1 250 250 GLU C C 13 179.98 0.2 . 1 . . . . 250 GLU C . 19075 1 782 . 1 1 250 250 GLU CA C 13 59.00 0.2 . 1 . . . . 250 GLU CA . 19075 1 783 . 1 1 250 250 GLU CB C 13 29.03 0.2 . 1 . . . . 250 GLU CB . 19075 1 784 . 1 1 250 250 GLU N N 15 120.42 0.2 . 1 . . . . 250 GLU N . 19075 1 785 . 1 1 251 251 TYR H H 1 7.56 0.04 . 1 . . . . 251 TYR H . 19075 1 786 . 1 1 251 251 TYR CA C 13 55.34 0.2 . 1 . . . . 251 TYR CA . 19075 1 787 . 1 1 251 251 TYR CB C 13 35.11 0.2 . 1 . . . . 251 TYR CB . 19075 1 788 . 1 1 251 251 TYR N N 15 119.73 0.2 . 1 . . . . 251 TYR N . 19075 1 789 . 1 1 252 252 ALA C C 13 177.47 0.2 . 1 . . . . 252 ALA C . 19075 1 790 . 1 1 252 252 ALA CA C 13 54.19 0.2 . 1 . . . . 252 ALA CA . 19075 1 791 . 1 1 253 253 ASN H H 1 7.10 0.04 . 1 . . . . 253 ASN H . 19075 1 792 . 1 1 253 253 ASN C C 13 174.93 0.2 . 1 . . . . 253 ASN C . 19075 1 793 . 1 1 253 253 ASN CA C 13 53.52 0.2 . 1 . . . . 253 ASN CA . 19075 1 794 . 1 1 253 253 ASN CB C 13 39.59 0.2 . 1 . . . . 253 ASN CB . 19075 1 795 . 1 1 253 253 ASN N N 15 112.30 0.2 . 1 . . . . 253 ASN N . 19075 1 796 . 1 1 254 254 ASP H H 1 7.53 0.04 . 1 . . . . 254 ASP H . 19075 1 797 . 1 1 254 254 ASP C C 13 174.18 0.2 . 1 . . . . 254 ASP C . 19075 1 798 . 1 1 254 254 ASP CA C 13 52.68 0.2 . 1 . . . . 254 ASP CA . 19075 1 799 . 1 1 254 254 ASP CB C 13 41.10 0.2 . 1 . . . . 254 ASP CB . 19075 1 800 . 1 1 254 254 ASP N N 15 120.42 0.2 . 1 . . . . 254 ASP N . 19075 1 801 . 1 1 255 255 GLN H H 1 9.01 0.04 . 1 . . . . 255 GLN H . 19075 1 802 . 1 1 255 255 GLN C C 13 176.76 0.2 . 1 . . . . 255 GLN C . 19075 1 803 . 1 1 255 255 GLN CA C 13 59.24 0.2 . 1 . . . . 255 GLN CA . 19075 1 804 . 1 1 255 255 GLN CB C 13 29.47 0.2 . 1 . . . . 255 GLN CB . 19075 1 805 . 1 1 255 255 GLN N N 15 125.89 0.2 . 1 . . . . 255 GLN N . 19075 1 806 . 1 1 256 256 ASP H H 1 8.06 0.04 . 1 . . . . 256 ASP H . 19075 1 807 . 1 1 256 256 ASP C C 13 178.43 0.2 . 1 . . . . 256 ASP C . 19075 1 808 . 1 1 256 256 ASP CA C 13 57.46 0.2 . 1 . . . . 256 ASP CA . 19075 1 809 . 1 1 256 256 ASP CB C 13 40.17 0.2 . 1 . . . . 256 ASP CB . 19075 1 810 . 1 1 256 256 ASP N N 15 118.90 0.2 . 1 . . . . 256 ASP N . 19075 1 811 . 1 1 257 257 LYS H H 1 7.58 0.04 . 1 . . . . 257 LYS H . 19075 1 812 . 1 1 257 257 LYS C C 13 178.01 0.2 . 1 . . . . 257 LYS C . 19075 1 813 . 1 1 257 257 LYS CA C 13 58.23 0.2 . 1 . . . . 257 LYS CA . 19075 1 814 . 1 1 257 257 LYS CB C 13 31.30 0.2 . 1 . . . . 257 LYS CB . 19075 1 815 . 1 1 257 257 LYS N N 15 122.05 0.2 . 1 . . . . 257 LYS N . 19075 1 816 . 1 1 258 258 PHE H H 1 7.35 0.04 . 1 . . . . 258 PHE H . 19075 1 817 . 1 1 258 258 PHE C C 13 176.00 0.2 . 1 . . . . 258 PHE C . 19075 1 818 . 1 1 258 258 PHE CA C 13 58.26 0.2 . 1 . . . . 258 PHE CA . 19075 1 819 . 1 1 258 258 PHE CB C 13 36.84 0.2 . 1 . . . . 258 PHE CB . 19075 1 820 . 1 1 258 258 PHE N N 15 118.54 0.2 . 1 . . . . 258 PHE N . 19075 1 821 . 1 1 259 259 PHE H H 1 8.90 0.04 . 1 . . . . 259 PHE H . 19075 1 822 . 1 1 259 259 PHE C C 13 178.23 0.2 . 1 . . . . 259 PHE C . 19075 1 823 . 1 1 259 259 PHE CA C 13 59.82 0.2 . 1 . . . . 259 PHE CA . 19075 1 824 . 1 1 259 259 PHE CB C 13 36.64 0.2 . 1 . . . . 259 PHE CB . 19075 1 825 . 1 1 259 259 PHE N N 15 121.24 0.2 . 1 . . . . 259 PHE N . 19075 1 826 . 1 1 261 261 ASP C C 13 179.85 0.2 . 1 . . . . 261 ASP C . 19075 1 827 . 1 1 261 261 ASP CA C 13 56.75 0.2 . 1 . . . . 261 ASP CA . 19075 1 828 . 1 1 262 262 PHE H H 1 9.77 0.04 . 1 . . . . 262 PHE H . 19075 1 829 . 1 1 262 262 PHE C C 13 176.29 0.2 . 1 . . . . 262 PHE C . 19075 1 830 . 1 1 262 262 PHE CA C 13 62.76 0.2 . 1 . . . . 262 PHE CA . 19075 1 831 . 1 1 262 262 PHE CB C 13 38.12 0.2 . 1 . . . . 262 PHE CB . 19075 1 832 . 1 1 262 262 PHE N N 15 123.55 0.2 . 1 . . . . 262 PHE N . 19075 1 833 . 1 1 263 263 SER H H 1 8.21 0.04 . 1 . . . . 263 SER H . 19075 1 834 . 1 1 263 263 SER C C 13 176.41 0.2 . 1 . . . . 263 SER C . 19075 1 835 . 1 1 263 263 SER CA C 13 61.31 0.2 . 1 . . . . 263 SER CA . 19075 1 836 . 1 1 263 263 SER CB C 13 62.29 0.2 . 1 . . . . 263 SER CB . 19075 1 837 . 1 1 263 263 SER N N 15 112.99 0.2 . 1 . . . . 263 SER N . 19075 1 838 . 1 1 264 264 LYS H H 1 7.10 0.04 . 1 . . . . 264 LYS H . 19075 1 839 . 1 1 264 264 LYS C C 13 179.44 0.2 . 1 . . . . 264 LYS C . 19075 1 840 . 1 1 264 264 LYS CA C 13 58.46 0.2 . 1 . . . . 264 LYS CA . 19075 1 841 . 1 1 264 264 LYS CB C 13 32.12 0.2 . 1 . . . . 264 LYS CB . 19075 1 842 . 1 1 264 264 LYS N N 15 117.38 0.2 . 1 . . . . 264 LYS N . 19075 1 843 . 1 1 265 265 ALA H H 1 8.04 0.04 . 1 . . . . 265 ALA H . 19075 1 844 . 1 1 265 265 ALA C C 13 178.78 0.2 . 1 . . . . 265 ALA C . 19075 1 845 . 1 1 265 265 ALA CA C 13 54.80 0.2 . 1 . . . . 265 ALA CA . 19075 1 846 . 1 1 265 265 ALA CB C 13 17.32 0.2 . 1 . . . . 265 ALA CB . 19075 1 847 . 1 1 265 265 ALA N N 15 123.17 0.2 . 1 . . . . 265 ALA N . 19075 1 848 . 1 1 266 266 PHE H H 1 9.32 0.04 . 1 . . . . 266 PHE H . 19075 1 849 . 1 1 266 266 PHE C C 13 177.45 0.2 . 1 . . . . 266 PHE C . 19075 1 850 . 1 1 266 266 PHE CA C 13 59.86 0.2 . 1 . . . . 266 PHE CA . 19075 1 851 . 1 1 266 266 PHE CB C 13 38.62 0.2 . 1 . . . . 266 PHE CB . 19075 1 852 . 1 1 266 266 PHE N N 15 120.25 0.2 . 1 . . . . 266 PHE N . 19075 1 853 . 1 1 267 267 GLU H H 1 7.88 0.04 . 1 . . . . 267 GLU H . 19075 1 854 . 1 1 267 267 GLU C C 13 177.17 0.2 . 1 . . . . 267 GLU C . 19075 1 855 . 1 1 267 267 GLU CA C 13 59.63 0.2 . 1 . . . . 267 GLU CA . 19075 1 856 . 1 1 267 267 GLU CB C 13 25.77 0.2 . 1 . . . . 267 GLU CB . 19075 1 857 . 1 1 267 267 GLU N N 15 117.67 0.2 . 1 . . . . 267 GLU N . 19075 1 858 . 1 1 268 268 LYS H H 1 7.59 0.04 . 1 . . . . 268 LYS H . 19075 1 859 . 1 1 268 268 LYS C C 13 178.93 0.2 . 1 . . . . 268 LYS C . 19075 1 860 . 1 1 268 268 LYS CA C 13 59.27 0.2 . 1 . . . . 268 LYS CA . 19075 1 861 . 1 1 268 268 LYS CB C 13 32.14 0.2 . 1 . . . . 268 LYS CB . 19075 1 862 . 1 1 268 268 LYS N N 15 118.96 0.2 . 1 . . . . 268 LYS N . 19075 1 863 . 1 1 269 269 LEU H H 1 8.39 0.04 . 1 . . . . 269 LEU H . 19075 1 864 . 1 1 269 269 LEU CA C 13 57.49 0.2 . 1 . . . . 269 LEU CA . 19075 1 865 . 1 1 269 269 LEU CB C 13 41.95 0.2 . 1 . . . . 269 LEU CB . 19075 1 866 . 1 1 269 269 LEU N N 15 120.02 0.2 . 1 . . . . 269 LEU N . 19075 1 867 . 1 1 270 270 LEU C C 13 178.12 0.2 . 1 . . . . 270 LEU C . 19075 1 868 . 1 1 271 271 GLU H H 1 7.71 0.04 . 1 . . . . 271 GLU H . 19075 1 869 . 1 1 271 271 GLU C C 13 176.17 0.2 . 1 . . . . 271 GLU C . 19075 1 870 . 1 1 271 271 GLU CA C 13 55.24 0.2 . 1 . . . . 271 GLU CA . 19075 1 871 . 1 1 271 271 GLU CB C 13 29.50 0.2 . 1 . . . . 271 GLU CB . 19075 1 872 . 1 1 271 271 GLU N N 15 120.17 0.2 . 1 . . . . 271 GLU N . 19075 1 873 . 1 1 272 272 ASN H H 1 7.24 0.04 . 1 . . . . 272 ASN H . 19075 1 874 . 1 1 272 272 ASN C C 13 176.42 0.2 . 1 . . . . 272 ASN C . 19075 1 875 . 1 1 272 272 ASN CA C 13 53.06 0.2 . 1 . . . . 272 ASN CA . 19075 1 876 . 1 1 272 272 ASN CB C 13 36.88 0.2 . 1 . . . . 272 ASN CB . 19075 1 877 . 1 1 272 272 ASN N N 15 123.29 0.2 . 1 . . . . 272 ASN N . 19075 1 878 . 1 1 273 273 GLY H H 1 8.36 0.04 . 1 . . . . 273 GLY H . 19075 1 879 . 1 1 273 273 GLY C C 13 174.64 0.2 . 1 . . . . 273 GLY C . 19075 1 880 . 1 1 273 273 GLY CA C 13 45.31 0.2 . 1 . . . . 273 GLY CA . 19075 1 881 . 1 1 273 273 GLY N N 15 110.08 0.2 . 1 . . . . 273 GLY N . 19075 1 882 . 1 1 274 274 ILE H H 1 7.60 0.04 . 1 . . . . 274 ILE H . 19075 1 883 . 1 1 274 274 ILE C C 13 175.28 0.2 . 1 . . . . 274 ILE C . 19075 1 884 . 1 1 274 274 ILE CA C 13 61.01 0.2 . 1 . . . . 274 ILE CA . 19075 1 885 . 1 1 274 274 ILE CB C 13 37.66 0.2 . 1 . . . . 274 ILE CB . 19075 1 886 . 1 1 274 274 ILE N N 15 121.91 0.2 . 1 . . . . 274 ILE N . 19075 1 887 . 1 1 275 275 THR H H 1 8.75 0.04 . 1 . . . . 275 THR H . 19075 1 888 . 1 1 275 275 THR C C 13 172.61 0.2 . 1 . . . . 275 THR C . 19075 1 889 . 1 1 275 275 THR CA C 13 61.45 0.2 . 1 . . . . 275 THR CA . 19075 1 890 . 1 1 275 275 THR CB C 13 69.32 0.2 . 1 . . . . 275 THR CB . 19075 1 891 . 1 1 275 275 THR N N 15 125.10 0.2 . 1 . . . . 275 THR N . 19075 1 892 . 1 1 276 276 PHE H H 1 9.14 0.04 . 1 . . . . 276 PHE H . 19075 1 893 . 1 1 276 276 PHE C C 13 173.76 0.2 . 1 . . . . 276 PHE C . 19075 1 894 . 1 1 276 276 PHE CA C 13 55.44 0.2 . 1 . . . . 276 PHE CA . 19075 1 895 . 1 1 276 276 PHE CB C 13 38.03 0.2 . 1 . . . . 276 PHE CB . 19075 1 896 . 1 1 276 276 PHE N N 15 129.38 0.2 . 1 . . . . 276 PHE N . 19075 1 897 . 1 1 277 277 PRO C C 13 177.12 0.2 . 1 . . . . 277 PRO C . 19075 1 898 . 1 1 277 277 PRO CA C 13 61.84 0.2 . 1 . . . . 277 PRO CA . 19075 1 899 . 1 1 277 277 PRO CB C 13 32.30 0.2 . 1 . . . . 277 PRO CB . 19075 1 900 . 1 1 278 278 LYS H H 1 8.78 0.04 . 1 . . . . 278 LYS H . 19075 1 901 . 1 1 278 278 LYS C C 13 176.81 0.2 . 1 . . . . 278 LYS C . 19075 1 902 . 1 1 278 278 LYS CA C 13 58.48 0.2 . 1 . . . . 278 LYS CA . 19075 1 903 . 1 1 278 278 LYS CB C 13 31.14 0.2 . 1 . . . . 278 LYS CB . 19075 1 904 . 1 1 278 278 LYS N N 15 121.70 0.2 . 1 . . . . 278 LYS N . 19075 1 905 . 1 1 279 279 ASP H H 1 8.15 0.04 . 1 . . . . 279 ASP H . 19075 1 906 . 1 1 279 279 ASP C C 13 175.80 0.2 . 1 . . . . 279 ASP C . 19075 1 907 . 1 1 279 279 ASP CA C 13 52.53 0.2 . 1 . . . . 279 ASP CA . 19075 1 908 . 1 1 279 279 ASP CB C 13 38.95 0.2 . 1 . . . . 279 ASP CB . 19075 1 909 . 1 1 279 279 ASP N N 15 114.97 0.2 . 1 . . . . 279 ASP N . 19075 1 910 . 1 1 280 280 ALA H H 1 7.51 0.04 . 1 . . . . 280 ALA H . 19075 1 911 . 1 1 280 280 ALA C C 13 175.29 0.2 . 1 . . . . 280 ALA C . 19075 1 912 . 1 1 280 280 ALA CA C 13 50.45 0.2 . 1 . . . . 280 ALA CA . 19075 1 913 . 1 1 280 280 ALA CB C 13 16.87 0.2 . 1 . . . . 280 ALA CB . 19075 1 914 . 1 1 280 280 ALA N N 15 124.20 0.2 . 1 . . . . 280 ALA N . 19075 1 915 . 1 1 281 281 PRO C C 13 176.94 0.2 . 1 . . . . 281 PRO C . 19075 1 916 . 1 1 281 281 PRO CA C 13 62.08 0.2 . 1 . . . . 281 PRO CA . 19075 1 917 . 1 1 281 281 PRO CB C 13 30.65 0.2 . 1 . . . . 281 PRO CB . 19075 1 918 . 1 1 282 282 SER H H 1 8.29 0.04 . 1 . . . . 282 SER H . 19075 1 919 . 1 1 282 282 SER C C 13 170.95 0.2 . 1 . . . . 282 SER C . 19075 1 920 . 1 1 282 282 SER CA C 13 57.73 0.2 . 1 . . . . 282 SER CA . 19075 1 921 . 1 1 282 282 SER CB C 13 60.86 0.2 . 1 . . . . 282 SER CB . 19075 1 922 . 1 1 282 282 SER N N 15 119.34 0.2 . 1 . . . . 282 SER N . 19075 1 923 . 1 1 283 283 PRO C C 13 175.75 0.2 . 1 . . . . 283 PRO C . 19075 1 924 . 1 1 283 283 PRO CA C 13 62.88 0.2 . 1 . . . . 283 PRO CA . 19075 1 925 . 1 1 284 284 PHE H H 1 9.08 0.04 . 1 . . . . 284 PHE H . 19075 1 926 . 1 1 284 284 PHE C C 13 174.93 0.2 . 1 . . . . 284 PHE C . 19075 1 927 . 1 1 284 284 PHE CA C 13 53.79 0.2 . 1 . . . . 284 PHE CA . 19075 1 928 . 1 1 284 284 PHE CB C 13 39.39 0.2 . 1 . . . . 284 PHE CB . 19075 1 929 . 1 1 284 284 PHE N N 15 124.91 0.2 . 1 . . . . 284 PHE N . 19075 1 930 . 1 1 285 285 ILE H H 1 7.90 0.04 . 1 . . . . 285 ILE H . 19075 1 931 . 1 1 285 285 ILE C C 13 176.76 0.2 . 1 . . . . 285 ILE C . 19075 1 932 . 1 1 285 285 ILE CA C 13 58.71 0.2 . 1 . . . . 285 ILE CA . 19075 1 933 . 1 1 285 285 ILE CB C 13 36.63 0.2 . 1 . . . . 285 ILE CB . 19075 1 934 . 1 1 285 285 ILE N N 15 120.72 0.2 . 1 . . . . 285 ILE N . 19075 1 935 . 1 1 286 286 PHE H H 1 9.84 0.04 . 1 . . . . 286 PHE H . 19075 1 936 . 1 1 286 286 PHE C C 13 177.07 0.2 . 1 . . . . 286 PHE C . 19075 1 937 . 1 1 286 286 PHE CA C 13 58.87 0.2 . 1 . . . . 286 PHE CA . 19075 1 938 . 1 1 286 286 PHE CB C 13 38.88 0.2 . 1 . . . . 286 PHE CB . 19075 1 939 . 1 1 286 286 PHE N N 15 130.14 0.2 . 1 . . . . 286 PHE N . 19075 1 940 . 1 1 287 287 LYS H H 1 8.66 0.04 . 1 . . . . 287 LYS H . 19075 1 941 . 1 1 287 287 LYS C C 13 176.85 0.2 . 1 . . . . 287 LYS C . 19075 1 942 . 1 1 287 287 LYS CA C 13 54.75 0.2 . 1 . . . . 287 LYS CA . 19075 1 943 . 1 1 287 287 LYS CB C 13 33.26 0.2 . 1 . . . . 287 LYS CB . 19075 1 944 . 1 1 287 287 LYS N N 15 123.72 0.2 . 1 . . . . 287 LYS N . 19075 1 945 . 1 1 288 288 THR H H 1 8.60 0.04 . 1 . . . . 288 THR H . 19075 1 946 . 1 1 288 288 THR C C 13 178.57 0.2 . 1 . . . . 288 THR C . 19075 1 947 . 1 1 288 288 THR CA C 13 59.84 0.2 . 1 . . . . 288 THR CA . 19075 1 948 . 1 1 288 288 THR CB C 13 70.15 0.2 . 1 . . . . 288 THR CB . 19075 1 949 . 1 1 288 288 THR N N 15 110.67 0.2 . 1 . . . . 288 THR N . 19075 1 950 . 1 1 289 289 LEU H H 1 9.54 0.04 . 1 . . . . 289 LEU H . 19075 1 951 . 1 1 289 289 LEU C C 13 180.67 0.2 . 1 . . . . 289 LEU C . 19075 1 952 . 1 1 289 289 LEU CA C 13 58.79 0.2 . 1 . . . . 289 LEU CA . 19075 1 953 . 1 1 289 289 LEU CB C 13 38.91 0.2 . 1 . . . . 289 LEU CB . 19075 1 954 . 1 1 289 289 LEU N N 15 122.27 0.2 . 1 . . . . 289 LEU N . 19075 1 955 . 1 1 290 290 GLU H H 1 9.02 0.04 . 1 . . . . 290 GLU H . 19075 1 956 . 1 1 290 290 GLU CA C 13 59.16 0.2 . 1 . . . . 290 GLU CA . 19075 1 957 . 1 1 290 290 GLU CB C 13 28.45 0.2 . 1 . . . . 290 GLU CB . 19075 1 958 . 1 1 290 290 GLU N N 15 120.61 0.2 . 1 . . . . 290 GLU N . 19075 1 959 . 1 1 291 291 GLU C C 13 178.57 0.2 . 1 . . . . 291 GLU C . 19075 1 960 . 1 1 291 291 GLU CA C 13 58.33 0.2 . 1 . . . . 291 GLU CA . 19075 1 961 . 1 1 291 291 GLU CB C 13 29.29 0.2 . 1 . . . . 291 GLU CB . 19075 1 962 . 1 1 292 292 GLN H H 1 7.54 0.04 . 1 . . . . 292 GLN H . 19075 1 963 . 1 1 292 292 GLN C C 13 175.63 0.2 . 1 . . . . 292 GLN C . 19075 1 964 . 1 1 292 292 GLN CA C 13 55.70 0.2 . 1 . . . . 292 GLN CA . 19075 1 965 . 1 1 292 292 GLN CB C 13 31.41 0.2 . 1 . . . . 292 GLN CB . 19075 1 966 . 1 1 292 292 GLN N N 15 116.98 0.2 . 1 . . . . 292 GLN N . 19075 1 967 . 1 1 293 293 GLY H H 1 7.83 0.04 . 1 . . . . 293 GLY H . 19075 1 968 . 1 1 293 293 GLY C C 13 174.30 0.2 . 1 . . . . 293 GLY C . 19075 1 969 . 1 1 293 293 GLY CA C 13 45.08 0.2 . 1 . . . . 293 GLY CA . 19075 1 970 . 1 1 293 293 GLY N N 15 108.28 0.2 . 1 . . . . 293 GLY N . 19075 1 971 . 1 1 294 294 LEU H H 1 7.71 0.04 . 1 . . . . 294 LEU H . 19075 1 972 . 1 1 294 294 LEU C C 13 175.97 0.2 . 1 . . . . 294 LEU C . 19075 1 973 . 1 1 294 294 LEU CA C 13 53.45 0.2 . 1 . . . . 294 LEU CA . 19075 1 974 . 1 1 294 294 LEU CB C 13 40.40 0.2 . 1 . . . . 294 LEU CB . 19075 1 975 . 1 1 294 294 LEU N N 15 122.15 0.2 . 1 . . . . 294 LEU N . 19075 1 stop_ save_