data_19004 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19004 _Entry.Title ; 1H, 13C, and 15N backbone chemical shift assignments of the low-spin CN-bound yeast cytochrome c peroxidase with the C-terminal His-tag ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-05 _Entry.Accession_date 2013-02-05 _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. . 19004 2 Nico 'van Nuland' . AJ. . 19004 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19004 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 267 19004 '13C chemical shifts' 820 19004 '15N chemical shifts' 267 19004 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 2013-02-05 update author 'update chemical shifts' 19004 1 . . 2013-04-02 2013-02-05 original author 'original release' 19004 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19005 (His)6CcPCN 19004 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 19004 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23517193 _Citation.Full_citation . _Citation.Title 'Expression, Purification, Characterization, and Solution Nuclear Magnetic Resonance Study of Highly Deuterated Yeast Cytochrome c Peroxidase with Enhanced Solubility' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 52 _Citation.Journal_issue 13 _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 2165 _Citation.Page_last 2175 _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 Alexander Volkov . N. . 19004 1 2 Alexandre Wohlkonig . . . 19004 1 3 Sameh Soror . H. . 19004 1 4 Nico 'van Nuland' . AJ. . 19004 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19004 _Assembly.ID 1 _Assembly.Name CcP(His)6CN _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 protein 1 $cytochrome_c_peroxidase A . yes native no no . . . 19004 1 2 cofactor_HEME 2 $entity_HEM B . no native no no . . . 19004 1 3 cofactor_CYN 3 $entity_CYN C . no native no no . . . 19004 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cytochrome_c_peroxidase _Entity.Sf_category entity _Entity.Sf_framecode cytochrome_c_peroxidase _Entity.Entry_ID 19004 _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 . . . . 19004 1 2 no BMRB 19005 . cytochrome_c_peroxidase . . . . . 97.67 300 100.00 100.00 0.00e+00 . . . . 19004 1 3 no BMRB 19075 . cytochrome_c_peroxidase . . . . . 100.00 300 100.00 100.00 0.00e+00 . . . . 19004 1 4 no BMRB 19076 . cytochrome_c_peroxidase . . . . . 97.67 300 100.00 100.00 0.00e+00 . . . . 19004 1 5 no BMRB 19884 . High_pH . . . . . 97.67 295 99.66 99.66 0.00e+00 . . . . 19004 1 6 no BMRB 25551 . CcP . . . . . 97.00 294 99.31 99.31 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 35 no PDB 1BVA . "Manganese Binding Mutant In Cytochrome C Peroxidase" . . . . . 98.00 294 98.30 98.64 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 41 no PDB 1CCI . "How Flexible Are Proteins? Trapping Of A Flexible Loop" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19004 1 42 no PDB 1CCJ . "Conformer Selection By Ligand Binding Observed With Protein Crystallography" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 56 no PDB 1DJ1 . "Crystal Structure Of R48a Mutant Of Cytochrome C Peroxidase" . . . . . 97.00 291 98.97 98.97 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 66 no PDB 1KOK . "Crystal Structure Of Mesopone Cytochrome C Peroxidase (Mpccp)" . . . . . 97.00 294 100.00 100.00 0.00e+00 . . . . 19004 1 67 no PDB 1KRJ . "Engineering Calcium-Binding Site Into Cytochrome C Peroxidase (Ccp)" . . . . . 97.00 294 98.28 98.28 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 74 no PDB 1RYC . "Cytochrome C Peroxidase W191g From Saccharomyces Cerevisiae" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 79 no PDB 1SOG . "Cyrstal Structure Of Cytochrome C Peroxidase Mutant: Ccpk2m2" . . . . . 97.00 294 97.59 97.94 0.00e+00 . . . . 19004 1 80 no PDB 1STQ . "Cyrstal Structure Of Cytochrome C Peroxidase Mutant: Ccpk2m3" . . . . . 97.00 294 97.25 97.59 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 86 no PDB 2ANZ . "Cytochrome C Peroxidase In Complex With 2,6-Diaminopyridine" . . . . . 98.00 294 98.64 98.98 0.00e+00 . . . . 19004 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 . . . . 19004 1 88 no PDB 2AS1 . "Cytochrome C Peroxidase In Complex With Thiopheneamidine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19004 1 89 no PDB 2AS2 . "Cytochrome C Peroxidase In Complex With 2-Iminopiperidine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19004 1 90 no PDB 2AS3 . "Cytochrome C Peroxidase In Complex With Phenol" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19004 1 91 no PDB 2AS4 . "Cytochrome C Peroxidase In Complex With 3-Fluorocatechol" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19004 1 92 no PDB 2AS6 . "Cytochrome C Peroxidase In Complex With Cyclopentylamine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 104 no PDB 2EUQ . "Cytochrome C Peroxydase (Ccp) In Complex With 3- Thienylmethylamine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19004 1 105 no PDB 2EUR . "Cytochrome C Peroxidase (Ccp) In Complex With 4- Pyridylcarbinol" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19004 1 106 no PDB 2EUS . "Cytochrome C Peroxidase (Ccp) In Complex With Benzylamine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 116 no PDB 2RBT . "N-Methylbenzylamine In Complex With Cytochrome C Peroxidase W191g" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19004 1 117 no PDB 2RBU . "Cytochrome C Peroxidase In Complex With Cyclopentane-Carboximidamide" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 122 no PDB 2RBZ . "Cytochrome C Peroxidase W191g In Complex 3-Methoxypyridine" . . . . . 97.33 292 98.63 98.97 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 126 no PDB 2V23 . "Structure Of Cytochrome C Peroxidase Mutant N184r Y36a" . . . . . 98.67 296 98.31 98.65 0.00e+00 . . . . 19004 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 . . . . 19004 1 128 no PDB 2X07 . "Cytochrome C Peroxidase: Engineered Ascorbate Binding Site" . . . . . 97.00 293 98.63 99.31 0.00e+00 . . . . 19004 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 . . . . 19004 1 130 no PDB 2XIL . "The Structure Of Cytochrome C Peroxidase Compound I" . . . . . 98.00 294 99.66 100.00 0.00e+00 . . . . 19004 1 131 no PDB 2XJ5 . "The Structure Of Cytochrome C Peroxidase Compound Ii" . . . . . 98.00 294 100.00 100.00 0.00e+00 . . . . 19004 1 132 no PDB 2XJ8 . "The Structure Of Ferrous Cytochrome C Peroxidase" . . . . . 98.00 294 100.00 100.00 0.00e+00 . . . . 19004 1 133 no PDB 2Y5A . "Cytochrome C Peroxidase (Ccp) W191g Bound To 3-Aminopyridine" . . . . . 98.00 294 98.98 98.98 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 137 no PDB 3E2O . "Crystal Structure Of Cytochrome C Peroxidase, N184r Mutant" . . . . . 97.00 294 99.31 99.31 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 156 no PDB 4A6Z . "Cytochrome C Peroxidase With Bound Guaiacol" . . . . . 98.67 296 98.31 98.65 0.00e+00 . . . . 19004 1 157 no PDB 4A71 . "Cytochrome C Peroxidase In Complex With Phenol" . . . . . 98.67 296 98.65 98.65 0.00e+00 . . . . 19004 1 158 no PDB 4A78 . "Cytochrome C Peroxidase M119w In Complex With Guiacol" . . . . . 98.67 296 98.65 98.65 0.00e+00 . . . . 19004 1 159 no PDB 4A7M . "Cytochrome C Peroxidase S81w Mutant" . . . . . 98.67 296 98.99 98.99 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 185 no PDB 4NVA . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 186 no PDB 4NVB . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 187 no PDB 4NVC . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 188 no PDB 4NVD . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 189 no PDB 4NVE . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 190 no PDB 4NVF . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 191 no PDB 4NVG . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 192 no PDB 4NVH . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 193 no PDB 4NVI . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 194 no PDB 4NVJ . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 195 no PDB 4NVK . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 196 no PDB 4NVL . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 197 no PDB 4NVM . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 198 no PDB 4NVN . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 199 no PDB 4NVO . "Predicting Protein Conformational Response In Prospective Ligand Discovery" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 200 no PDB 4OQ7 . "Predicting Protein Conformational Response In Prospective Ligand Discovery." . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 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 . . . . 19004 1 202 no PDB 4XV4 . "Ccp Gateless Cavity" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 203 no PDB 4XV5 . "Ccp Gateless Cavity" . . . . . 98.00 292 98.30 98.30 0.00e+00 . . . . 19004 1 204 no PDB 4XV6 . "Ccp Gateless Cavity" . . . . . 97.00 289 98.28 98.28 0.00e+00 . . . . 19004 1 205 no PDB 4XV7 . "Ccp Gateless Cavity" . . . . . 98.00 292 98.30 98.30 0.00e+00 . . . . 19004 1 206 no PDB 4XV8 . "Ccp Gateless Cavity" . . . . . 98.00 292 98.30 98.30 0.00e+00 . . . . 19004 1 207 no PDB 4XVA . "Crystal Structure Of Wild Type Cytochrome C Peroxidase" . . . . . 97.00 293 100.00 100.00 0.00e+00 . . . . 19004 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 . . . . 19004 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 . . . . 19004 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 . . . . 19004 1 211 no DBJ GAA24787 . "K7_Ccp1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.00 363 100.00 100.00 0.00e+00 . . . . 19004 1 212 no EMBL CAA44288 . "Cytochrome c peroxidase [Saccharomyces cerevisiae]" . . . . . 97.00 361 100.00 100.00 0.00e+00 . . . . 19004 1 213 no EMBL CAA82145 . "CCP1 [Saccharomyces cerevisiae]" . . . . . 97.00 361 100.00 100.00 0.00e+00 . . . . 19004 1 214 no EMBL CAY81144 . "Ccp1p [Saccharomyces cerevisiae EC1118]" . . . . . 97.00 362 99.66 99.66 0.00e+00 . . . . 19004 1 215 no GB AAA88709 . "cytochrome c peroxidase [Saccharomyces cerevisiae]" . . . . . 97.00 362 99.31 99.31 0.00e+00 . . . . 19004 1 216 no GB AAS56247 . "YKR066C [Saccharomyces cerevisiae]" . . . . . 97.00 361 99.66 100.00 0.00e+00 . . . . 19004 1 217 no GB AHY76301 . "Ccp1p [Saccharomyces cerevisiae YJM993]" . . . . . 97.00 363 99.31 99.31 0.00e+00 . . . . 19004 1 218 no GB AJP40095 . "Ccp1p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.00 362 99.66 99.66 0.00e+00 . . . . 19004 1 219 no GB AJS30293 . "Ccp1p [Saccharomyces cerevisiae YJM189]" . . . . . 97.00 362 99.31 99.31 0.00e+00 . . . . 19004 1 220 no REF NP_012992 . "Ccp1p [Saccharomyces cerevisiae S288c]" . . . . . 97.00 361 100.00 100.00 0.00e+00 . . . . 19004 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 . . . . 19004 1 222 no TPG DAA09217 . "TPA: Ccp1p [Saccharomyces cerevisiae S288c]" . . . . . 97.00 361 100.00 100.00 0.00e+00 . . . . 19004 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 . 19004 1 2 2 LYS . 19004 1 3 3 THR . 19004 1 4 4 LEU . 19004 1 5 5 VAL . 19004 1 6 6 HIS . 19004 1 7 7 VAL . 19004 1 8 8 ALA . 19004 1 9 9 SER . 19004 1 10 10 VAL . 19004 1 11 11 GLU . 19004 1 12 12 LYS . 19004 1 13 13 GLY . 19004 1 14 14 ARG . 19004 1 15 15 SER . 19004 1 16 16 TYR . 19004 1 17 17 GLU . 19004 1 18 18 ASP . 19004 1 19 19 PHE . 19004 1 20 20 GLN . 19004 1 21 21 LYS . 19004 1 22 22 VAL . 19004 1 23 23 TYR . 19004 1 24 24 ASN . 19004 1 25 25 ALA . 19004 1 26 26 ILE . 19004 1 27 27 ALA . 19004 1 28 28 LEU . 19004 1 29 29 LYS . 19004 1 30 30 LEU . 19004 1 31 31 ARG . 19004 1 32 32 GLU . 19004 1 33 33 ASP . 19004 1 34 34 ASP . 19004 1 35 35 GLU . 19004 1 36 36 TYR . 19004 1 37 37 ASP . 19004 1 38 38 ASN . 19004 1 39 39 TYR . 19004 1 40 40 ILE . 19004 1 41 41 GLY . 19004 1 42 42 TYR . 19004 1 43 43 GLY . 19004 1 44 44 PRO . 19004 1 45 45 VAL . 19004 1 46 46 LEU . 19004 1 47 47 VAL . 19004 1 48 48 ARG . 19004 1 49 49 LEU . 19004 1 50 50 ALA . 19004 1 51 51 TRP . 19004 1 52 52 HIS . 19004 1 53 53 THR . 19004 1 54 54 SER . 19004 1 55 55 GLY . 19004 1 56 56 THR . 19004 1 57 57 TRP . 19004 1 58 58 ASP . 19004 1 59 59 LYS . 19004 1 60 60 HIS . 19004 1 61 61 ASP . 19004 1 62 62 ASN . 19004 1 63 63 THR . 19004 1 64 64 GLY . 19004 1 65 65 GLY . 19004 1 66 66 SER . 19004 1 67 67 TYR . 19004 1 68 68 GLY . 19004 1 69 69 GLY . 19004 1 70 70 THR . 19004 1 71 71 TYR . 19004 1 72 72 ARG . 19004 1 73 73 PHE . 19004 1 74 74 LYS . 19004 1 75 75 LYS . 19004 1 76 76 GLU . 19004 1 77 77 PHE . 19004 1 78 78 ASN . 19004 1 79 79 ASP . 19004 1 80 80 PRO . 19004 1 81 81 SER . 19004 1 82 82 ASN . 19004 1 83 83 ALA . 19004 1 84 84 GLY . 19004 1 85 85 LEU . 19004 1 86 86 GLN . 19004 1 87 87 ASN . 19004 1 88 88 GLY . 19004 1 89 89 PHE . 19004 1 90 90 LYS . 19004 1 91 91 PHE . 19004 1 92 92 LEU . 19004 1 93 93 GLU . 19004 1 94 94 PRO . 19004 1 95 95 ILE . 19004 1 96 96 HIS . 19004 1 97 97 LYS . 19004 1 98 98 GLU . 19004 1 99 99 PHE . 19004 1 100 100 PRO . 19004 1 101 101 TRP . 19004 1 102 102 ILE . 19004 1 103 103 SER . 19004 1 104 104 SER . 19004 1 105 105 GLY . 19004 1 106 106 ASP . 19004 1 107 107 LEU . 19004 1 108 108 PHE . 19004 1 109 109 SER . 19004 1 110 110 LEU . 19004 1 111 111 GLY . 19004 1 112 112 GLY . 19004 1 113 113 VAL . 19004 1 114 114 THR . 19004 1 115 115 ALA . 19004 1 116 116 VAL . 19004 1 117 117 GLN . 19004 1 118 118 GLU . 19004 1 119 119 MET . 19004 1 120 120 GLN . 19004 1 121 121 GLY . 19004 1 122 122 PRO . 19004 1 123 123 LYS . 19004 1 124 124 ILE . 19004 1 125 125 PRO . 19004 1 126 126 TRP . 19004 1 127 127 ARG . 19004 1 128 128 CYS . 19004 1 129 129 GLY . 19004 1 130 130 ARG . 19004 1 131 131 VAL . 19004 1 132 132 ASP . 19004 1 133 133 THR . 19004 1 134 134 PRO . 19004 1 135 135 GLU . 19004 1 136 136 ASP . 19004 1 137 137 THR . 19004 1 138 138 THR . 19004 1 139 139 PRO . 19004 1 140 140 ASP . 19004 1 141 141 ASN . 19004 1 142 142 GLY . 19004 1 143 143 ARG . 19004 1 144 144 LEU . 19004 1 145 145 PRO . 19004 1 146 146 ASP . 19004 1 147 147 ALA . 19004 1 148 148 ASP . 19004 1 149 149 LYS . 19004 1 150 150 ASP . 19004 1 151 151 ALA . 19004 1 152 152 ASP . 19004 1 153 153 TYR . 19004 1 154 154 VAL . 19004 1 155 155 ARG . 19004 1 156 156 THR . 19004 1 157 157 PHE . 19004 1 158 158 PHE . 19004 1 159 159 GLN . 19004 1 160 160 ARG . 19004 1 161 161 LEU . 19004 1 162 162 ASN . 19004 1 163 163 MET . 19004 1 164 164 ASN . 19004 1 165 165 ASP . 19004 1 166 166 ARG . 19004 1 167 167 GLU . 19004 1 168 168 VAL . 19004 1 169 169 VAL . 19004 1 170 170 ALA . 19004 1 171 171 LEU . 19004 1 172 172 MET . 19004 1 173 173 GLY . 19004 1 174 174 ALA . 19004 1 175 175 HIS . 19004 1 176 176 ALA . 19004 1 177 177 LEU . 19004 1 178 178 GLY . 19004 1 179 179 LYS . 19004 1 180 180 THR . 19004 1 181 181 HIS . 19004 1 182 182 LEU . 19004 1 183 183 LYS . 19004 1 184 184 ASN . 19004 1 185 185 SER . 19004 1 186 186 GLY . 19004 1 187 187 TYR . 19004 1 188 188 GLU . 19004 1 189 189 GLY . 19004 1 190 190 PRO . 19004 1 191 191 TRP . 19004 1 192 192 GLY . 19004 1 193 193 ALA . 19004 1 194 194 ALA . 19004 1 195 195 ASN . 19004 1 196 196 ASN . 19004 1 197 197 VAL . 19004 1 198 198 PHE . 19004 1 199 199 THR . 19004 1 200 200 ASN . 19004 1 201 201 GLU . 19004 1 202 202 PHE . 19004 1 203 203 TYR . 19004 1 204 204 LEU . 19004 1 205 205 ASN . 19004 1 206 206 LEU . 19004 1 207 207 LEU . 19004 1 208 208 ASN . 19004 1 209 209 GLU . 19004 1 210 210 ASP . 19004 1 211 211 TRP . 19004 1 212 212 LYS . 19004 1 213 213 LEU . 19004 1 214 214 GLU . 19004 1 215 215 LYS . 19004 1 216 216 ASN . 19004 1 217 217 ASP . 19004 1 218 218 ALA . 19004 1 219 219 ASN . 19004 1 220 220 ASN . 19004 1 221 221 GLU . 19004 1 222 222 GLN . 19004 1 223 223 TRP . 19004 1 224 224 ASP . 19004 1 225 225 SER . 19004 1 226 226 LYS . 19004 1 227 227 SER . 19004 1 228 228 GLY . 19004 1 229 229 TYR . 19004 1 230 230 MET . 19004 1 231 231 MET . 19004 1 232 232 LEU . 19004 1 233 233 PRO . 19004 1 234 234 THR . 19004 1 235 235 ASP . 19004 1 236 236 TYR . 19004 1 237 237 SER . 19004 1 238 238 LEU . 19004 1 239 239 ILE . 19004 1 240 240 GLN . 19004 1 241 241 ASP . 19004 1 242 242 PRO . 19004 1 243 243 LYS . 19004 1 244 244 TYR . 19004 1 245 245 LEU . 19004 1 246 246 SER . 19004 1 247 247 ILE . 19004 1 248 248 VAL . 19004 1 249 249 LYS . 19004 1 250 250 GLU . 19004 1 251 251 TYR . 19004 1 252 252 ALA . 19004 1 253 253 ASN . 19004 1 254 254 ASP . 19004 1 255 255 GLN . 19004 1 256 256 ASP . 19004 1 257 257 LYS . 19004 1 258 258 PHE . 19004 1 259 259 PHE . 19004 1 260 260 LYS . 19004 1 261 261 ASP . 19004 1 262 262 PHE . 19004 1 263 263 SER . 19004 1 264 264 LYS . 19004 1 265 265 ALA . 19004 1 266 266 PHE . 19004 1 267 267 GLU . 19004 1 268 268 LYS . 19004 1 269 269 LEU . 19004 1 270 270 LEU . 19004 1 271 271 GLU . 19004 1 272 272 ASN . 19004 1 273 273 GLY . 19004 1 274 274 ILE . 19004 1 275 275 THR . 19004 1 276 276 PHE . 19004 1 277 277 PRO . 19004 1 278 278 LYS . 19004 1 279 279 ASP . 19004 1 280 280 ALA . 19004 1 281 281 PRO . 19004 1 282 282 SER . 19004 1 283 283 PRO . 19004 1 284 284 PHE . 19004 1 285 285 ILE . 19004 1 286 286 PHE . 19004 1 287 287 LYS . 19004 1 288 288 THR . 19004 1 289 289 LEU . 19004 1 290 290 GLU . 19004 1 291 291 GLU . 19004 1 292 292 GLN . 19004 1 293 293 GLY . 19004 1 294 294 LEU . 19004 1 295 295 HIS . 19004 1 296 296 HIS . 19004 1 297 297 HIS . 19004 1 298 298 HIS . 19004 1 299 299 HIS . 19004 1 300 300 HIS . 19004 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 19004 1 . LYS 2 2 19004 1 . THR 3 3 19004 1 . LEU 4 4 19004 1 . VAL 5 5 19004 1 . HIS 6 6 19004 1 . VAL 7 7 19004 1 . ALA 8 8 19004 1 . SER 9 9 19004 1 . VAL 10 10 19004 1 . GLU 11 11 19004 1 . LYS 12 12 19004 1 . GLY 13 13 19004 1 . ARG 14 14 19004 1 . SER 15 15 19004 1 . TYR 16 16 19004 1 . GLU 17 17 19004 1 . ASP 18 18 19004 1 . PHE 19 19 19004 1 . GLN 20 20 19004 1 . LYS 21 21 19004 1 . VAL 22 22 19004 1 . TYR 23 23 19004 1 . ASN 24 24 19004 1 . ALA 25 25 19004 1 . ILE 26 26 19004 1 . ALA 27 27 19004 1 . LEU 28 28 19004 1 . LYS 29 29 19004 1 . LEU 30 30 19004 1 . ARG 31 31 19004 1 . GLU 32 32 19004 1 . ASP 33 33 19004 1 . ASP 34 34 19004 1 . GLU 35 35 19004 1 . TYR 36 36 19004 1 . ASP 37 37 19004 1 . ASN 38 38 19004 1 . TYR 39 39 19004 1 . ILE 40 40 19004 1 . GLY 41 41 19004 1 . TYR 42 42 19004 1 . GLY 43 43 19004 1 . PRO 44 44 19004 1 . VAL 45 45 19004 1 . LEU 46 46 19004 1 . VAL 47 47 19004 1 . ARG 48 48 19004 1 . LEU 49 49 19004 1 . ALA 50 50 19004 1 . TRP 51 51 19004 1 . HIS 52 52 19004 1 . THR 53 53 19004 1 . SER 54 54 19004 1 . GLY 55 55 19004 1 . THR 56 56 19004 1 . TRP 57 57 19004 1 . ASP 58 58 19004 1 . LYS 59 59 19004 1 . HIS 60 60 19004 1 . ASP 61 61 19004 1 . ASN 62 62 19004 1 . THR 63 63 19004 1 . GLY 64 64 19004 1 . GLY 65 65 19004 1 . SER 66 66 19004 1 . TYR 67 67 19004 1 . GLY 68 68 19004 1 . GLY 69 69 19004 1 . THR 70 70 19004 1 . TYR 71 71 19004 1 . ARG 72 72 19004 1 . PHE 73 73 19004 1 . LYS 74 74 19004 1 . LYS 75 75 19004 1 . GLU 76 76 19004 1 . PHE 77 77 19004 1 . ASN 78 78 19004 1 . ASP 79 79 19004 1 . PRO 80 80 19004 1 . SER 81 81 19004 1 . ASN 82 82 19004 1 . ALA 83 83 19004 1 . GLY 84 84 19004 1 . LEU 85 85 19004 1 . GLN 86 86 19004 1 . ASN 87 87 19004 1 . GLY 88 88 19004 1 . PHE 89 89 19004 1 . LYS 90 90 19004 1 . PHE 91 91 19004 1 . LEU 92 92 19004 1 . GLU 93 93 19004 1 . PRO 94 94 19004 1 . ILE 95 95 19004 1 . HIS 96 96 19004 1 . LYS 97 97 19004 1 . GLU 98 98 19004 1 . PHE 99 99 19004 1 . PRO 100 100 19004 1 . TRP 101 101 19004 1 . ILE 102 102 19004 1 . SER 103 103 19004 1 . SER 104 104 19004 1 . GLY 105 105 19004 1 . ASP 106 106 19004 1 . LEU 107 107 19004 1 . PHE 108 108 19004 1 . SER 109 109 19004 1 . LEU 110 110 19004 1 . GLY 111 111 19004 1 . GLY 112 112 19004 1 . VAL 113 113 19004 1 . THR 114 114 19004 1 . ALA 115 115 19004 1 . VAL 116 116 19004 1 . GLN 117 117 19004 1 . GLU 118 118 19004 1 . MET 119 119 19004 1 . GLN 120 120 19004 1 . GLY 121 121 19004 1 . PRO 122 122 19004 1 . LYS 123 123 19004 1 . ILE 124 124 19004 1 . PRO 125 125 19004 1 . TRP 126 126 19004 1 . ARG 127 127 19004 1 . CYS 128 128 19004 1 . GLY 129 129 19004 1 . ARG 130 130 19004 1 . VAL 131 131 19004 1 . ASP 132 132 19004 1 . THR 133 133 19004 1 . PRO 134 134 19004 1 . GLU 135 135 19004 1 . ASP 136 136 19004 1 . THR 137 137 19004 1 . THR 138 138 19004 1 . PRO 139 139 19004 1 . ASP 140 140 19004 1 . ASN 141 141 19004 1 . GLY 142 142 19004 1 . ARG 143 143 19004 1 . LEU 144 144 19004 1 . PRO 145 145 19004 1 . ASP 146 146 19004 1 . ALA 147 147 19004 1 . ASP 148 148 19004 1 . LYS 149 149 19004 1 . ASP 150 150 19004 1 . ALA 151 151 19004 1 . ASP 152 152 19004 1 . TYR 153 153 19004 1 . VAL 154 154 19004 1 . ARG 155 155 19004 1 . THR 156 156 19004 1 . PHE 157 157 19004 1 . PHE 158 158 19004 1 . GLN 159 159 19004 1 . ARG 160 160 19004 1 . LEU 161 161 19004 1 . ASN 162 162 19004 1 . MET 163 163 19004 1 . ASN 164 164 19004 1 . ASP 165 165 19004 1 . ARG 166 166 19004 1 . GLU 167 167 19004 1 . VAL 168 168 19004 1 . VAL 169 169 19004 1 . ALA 170 170 19004 1 . LEU 171 171 19004 1 . MET 172 172 19004 1 . GLY 173 173 19004 1 . ALA 174 174 19004 1 . HIS 175 175 19004 1 . ALA 176 176 19004 1 . LEU 177 177 19004 1 . GLY 178 178 19004 1 . LYS 179 179 19004 1 . THR 180 180 19004 1 . HIS 181 181 19004 1 . LEU 182 182 19004 1 . LYS 183 183 19004 1 . ASN 184 184 19004 1 . SER 185 185 19004 1 . GLY 186 186 19004 1 . TYR 187 187 19004 1 . GLU 188 188 19004 1 . GLY 189 189 19004 1 . PRO 190 190 19004 1 . TRP 191 191 19004 1 . GLY 192 192 19004 1 . ALA 193 193 19004 1 . ALA 194 194 19004 1 . ASN 195 195 19004 1 . ASN 196 196 19004 1 . VAL 197 197 19004 1 . PHE 198 198 19004 1 . THR 199 199 19004 1 . ASN 200 200 19004 1 . GLU 201 201 19004 1 . PHE 202 202 19004 1 . TYR 203 203 19004 1 . LEU 204 204 19004 1 . ASN 205 205 19004 1 . LEU 206 206 19004 1 . LEU 207 207 19004 1 . ASN 208 208 19004 1 . GLU 209 209 19004 1 . ASP 210 210 19004 1 . TRP 211 211 19004 1 . LYS 212 212 19004 1 . LEU 213 213 19004 1 . GLU 214 214 19004 1 . LYS 215 215 19004 1 . ASN 216 216 19004 1 . ASP 217 217 19004 1 . ALA 218 218 19004 1 . ASN 219 219 19004 1 . ASN 220 220 19004 1 . GLU 221 221 19004 1 . GLN 222 222 19004 1 . TRP 223 223 19004 1 . ASP 224 224 19004 1 . SER 225 225 19004 1 . LYS 226 226 19004 1 . SER 227 227 19004 1 . GLY 228 228 19004 1 . TYR 229 229 19004 1 . MET 230 230 19004 1 . MET 231 231 19004 1 . LEU 232 232 19004 1 . PRO 233 233 19004 1 . THR 234 234 19004 1 . ASP 235 235 19004 1 . TYR 236 236 19004 1 . SER 237 237 19004 1 . LEU 238 238 19004 1 . ILE 239 239 19004 1 . GLN 240 240 19004 1 . ASP 241 241 19004 1 . PRO 242 242 19004 1 . LYS 243 243 19004 1 . TYR 244 244 19004 1 . LEU 245 245 19004 1 . SER 246 246 19004 1 . ILE 247 247 19004 1 . VAL 248 248 19004 1 . LYS 249 249 19004 1 . GLU 250 250 19004 1 . TYR 251 251 19004 1 . ALA 252 252 19004 1 . ASN 253 253 19004 1 . ASP 254 254 19004 1 . GLN 255 255 19004 1 . ASP 256 256 19004 1 . LYS 257 257 19004 1 . PHE 258 258 19004 1 . PHE 259 259 19004 1 . LYS 260 260 19004 1 . ASP 261 261 19004 1 . PHE 262 262 19004 1 . SER 263 263 19004 1 . LYS 264 264 19004 1 . ALA 265 265 19004 1 . PHE 266 266 19004 1 . GLU 267 267 19004 1 . LYS 268 268 19004 1 . LEU 269 269 19004 1 . LEU 270 270 19004 1 . GLU 271 271 19004 1 . ASN 272 272 19004 1 . GLY 273 273 19004 1 . ILE 274 274 19004 1 . THR 275 275 19004 1 . PHE 276 276 19004 1 . PRO 277 277 19004 1 . LYS 278 278 19004 1 . ASP 279 279 19004 1 . ALA 280 280 19004 1 . PRO 281 281 19004 1 . SER 282 282 19004 1 . PRO 283 283 19004 1 . PHE 284 284 19004 1 . ILE 285 285 19004 1 . PHE 286 286 19004 1 . LYS 287 287 19004 1 . THR 288 288 19004 1 . LEU 289 289 19004 1 . GLU 290 290 19004 1 . GLU 291 291 19004 1 . GLN 292 292 19004 1 . GLY 293 293 19004 1 . LEU 294 294 19004 1 . HIS 295 295 19004 1 . HIS 296 296 19004 1 . HIS 297 297 19004 1 . HIS 298 298 19004 1 . HIS 299 299 19004 1 . HIS 300 300 19004 1 stop_ save_ save_entity_HEM _Entity.Sf_category entity _Entity.Sf_framecode entity_HEM _Entity.Entry_ID 19004 _Entity.ID 2 _Entity.BMRB_code HEM _Entity.Name 'PROTOPORPHYRIN IX CONTAINING FE' _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 HEM _Entity.Nonpolymer_comp_label $chem_comp_HEM _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 616.487 _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 CONTAINING FE' BMRB 19004 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PROTOPORPHYRIN IX CONTAINING FE' BMRB 19004 2 HEM 'Three letter code' 19004 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 HEM $chem_comp_HEM 19004 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 HEM C1A 19004 2 2 1 HEM C1B 19004 2 3 1 HEM C1C 19004 2 4 1 HEM C1D 19004 2 5 1 HEM C2A 19004 2 6 1 HEM C2B 19004 2 7 1 HEM C2C 19004 2 8 1 HEM C2D 19004 2 9 1 HEM C3A 19004 2 10 1 HEM C3B 19004 2 11 1 HEM C3C 19004 2 12 1 HEM C3D 19004 2 13 1 HEM C4A 19004 2 14 1 HEM C4B 19004 2 15 1 HEM C4C 19004 2 16 1 HEM C4D 19004 2 17 1 HEM CAA 19004 2 18 1 HEM CAB 19004 2 19 1 HEM CAC 19004 2 20 1 HEM CAD 19004 2 21 1 HEM CBA 19004 2 22 1 HEM CBB 19004 2 23 1 HEM CBC 19004 2 24 1 HEM CBD 19004 2 25 1 HEM CGA 19004 2 26 1 HEM CGD 19004 2 27 1 HEM CHA 19004 2 28 1 HEM CHB 19004 2 29 1 HEM CHC 19004 2 30 1 HEM CHD 19004 2 31 1 HEM CMA 19004 2 32 1 HEM CMB 19004 2 33 1 HEM CMC 19004 2 34 1 HEM CMD 19004 2 35 1 HEM FE 19004 2 36 1 HEM H2A 19004 2 37 1 HEM H2D 19004 2 38 1 HEM HAA 19004 2 39 1 HEM HAAA 19004 2 40 1 HEM HAB 19004 2 41 1 HEM HAC 19004 2 42 1 HEM HAD 19004 2 43 1 HEM HADA 19004 2 44 1 HEM HBA 19004 2 45 1 HEM HBAA 19004 2 46 1 HEM HBB 19004 2 47 1 HEM HBBA 19004 2 48 1 HEM HBC 19004 2 49 1 HEM HBCA 19004 2 50 1 HEM HBD 19004 2 51 1 HEM HBDA 19004 2 52 1 HEM HHA 19004 2 53 1 HEM HHB 19004 2 54 1 HEM HHC 19004 2 55 1 HEM HHD 19004 2 56 1 HEM HMA 19004 2 57 1 HEM HMAA 19004 2 58 1 HEM HMAB 19004 2 59 1 HEM HMB 19004 2 60 1 HEM HMBA 19004 2 61 1 HEM HMBB 19004 2 62 1 HEM HMC 19004 2 63 1 HEM HMCA 19004 2 64 1 HEM HMCB 19004 2 65 1 HEM HMD 19004 2 66 1 HEM HMDA 19004 2 67 1 HEM HMDB 19004 2 68 1 HEM NA 19004 2 69 1 HEM NB 19004 2 70 1 HEM NC 19004 2 71 1 HEM ND 19004 2 72 1 HEM O1A 19004 2 73 1 HEM O1D 19004 2 74 1 HEM O2A 19004 2 75 1 HEM O2D 19004 2 stop_ save_ save_entity_CYN _Entity.Sf_category entity _Entity.Sf_framecode entity_CYN _Entity.Entry_ID 19004 _Entity.ID 3 _Entity.BMRB_code CYN _Entity.Name 'CYANIDE ION' _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 CYN _Entity.Nonpolymer_comp_label $chem_comp_CYN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26.017 _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 'CYANIDE ION' BMRB 19004 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CYANIDE ION' BMRB 19004 3 CYN 'Three letter code' 19004 3 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 CYN $chem_comp_CYN 19004 3 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 CYN C 19004 3 2 1 CYN N 19004 3 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 19004 _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 . . . . . . . . . . . . . . . . . . . . . 19004 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 19004 _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(+) . . . . . . 19004 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HEM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HEM _Chem_comp.Entry_ID 19004 _Chem_comp.ID HEM _Chem_comp.Provenance PDB _Chem_comp.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HEM _Chem_comp.PDB_code HEM _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MHM _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HEM _Chem_comp.Number_atoms_all 75 _Chem_comp.Number_atoms_nh 43 _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 HEME _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H32 Fe N4 O4' _Chem_comp.Formula_weight 616.487 _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 . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code 3IA3 _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' 1.7.0 19004 HEM 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' 1.7.0 19004 HEM 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 3.352 19004 HEM 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 3.352 19004 HEM FEDYMSUPMFCVOD-UJJXFSCMSA-N InChIKey InChI 1.02 19004 HEM 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 1.02 19004 HEM O=C(O)CCc5c(c2nc5cc1nc(C(=C1CCC(=O)O)C)cc4c(c(c(cc3nc(c2)C(=C3\C=C)C)n4)C)\C=C)C SMILES ACDLabs 11.02 19004 HEM 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 11.02 19004 HEM '3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.6.1 19004 HEM 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 . . . . 2.748 . -19.531 . 39.896 . -2.161 -0.125 0.490 1 . 19004 HEM CHB CHB CHB CHB . C . . N 0 . . . 1 yes no . . . . 3.258 . -17.744 . 35.477 . 1.458 -3.419 0.306 2 . 19004 HEM CHC CHC CHC CHC . C . . N 0 . . . 1 yes no . . . . 1.703 . -21.900 . 33.637 . 4.701 0.169 -0.069 3 . 19004 HEM CHD CHD CHD CHD . C . . N 0 . . . 1 yes no . . . . 1.149 . -23.677 . 38.059 . 1.075 3.460 0.018 4 . 19004 HEM C1A C1A C1A C1A . C . . N 0 . . . 1 yes no . . . . 3.031 . -18.673 . 38.872 . -1.436 -1.305 0.380 5 . 19004 HEM C2A C2A C2A C2A . C . . N 0 . . . 1 yes no . . . . 3.578 . -17.325 . 39.013 . -2.015 -2.587 0.320 6 . 19004 HEM C3A C3A C3A C3A . C . . N 0 . . . 1 yes no . . . . 3.705 . -16.820 . 37.785 . -1.009 -3.500 0.270 7 . 19004 HEM C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 3.256 . -17.863 . 36.862 . 0.216 -2.803 0.298 8 . 19004 HEM CMA CMA CMA CMA . C . . N 0 . . . 1 no no . . . . 4.227 . -15.469 . 37.393 . -1.175 -4.996 0.197 9 . 19004 HEM CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . 3.945 . -16.670 . 40.296 . -3.490 -2.893 0.314 10 . 19004 HEM CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . 5.391 . -17.138 . 40.581 . -3.998 -2.926 -1.129 11 . 19004 HEM CGA CGA CGA CGA . C . . N 0 . . . 1 no no . . . . 6.095 . -16.663 . 41.825 . -5.473 -3.232 -1.136 12 . 19004 HEM O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 7.098 . -15.928 . 41.683 . -6.059 -3.405 -0.094 13 . 19004 HEM O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 5.657 . -17.040 . 42.940 . -6.137 -3.311 -2.300 14 . 19004 HEM C1B C1B C1B C1B . C . . N 0 . . . 1 yes no . . . . 2.888 . -18.698 . 34.579 . 2.664 -2.707 0.308 15 . 19004 HEM C2B C2B C2B C2B . C . . N 0 . . . 1 yes no . . . . 2.933 . -18.535 . 33.146 . 3.937 -3.328 0.418 16 . 19004 HEM C3B C3B C3B C3B . C . . N 0 . . . 1 yes no . . . . 2.499 . -19.716 . 32.632 . 4.874 -2.341 0.314 17 . 19004 HEM C4B C4B C4B C4B . C . . N 0 . . . 1 yes no . . . . 2.187 . -20.580 . 33.743 . 4.117 -1.079 0.139 18 . 19004 HEM CMB CMB CMB CMB . C . . N 0 . . . 1 no no . . . . 3.391 . -17.290 . 32.422 . 4.203 -4.798 0.613 19 . 19004 HEM CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 2.345 . -20.140 . 31.217 . 6.339 -2.497 0.365 20 . 19004 HEM CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . 1.755 . -19.492 . 30.233 . 6.935 -3.419 -0.385 21 . 19004 HEM C1C C1C C1C C1C . C . . N 0 . . . 1 yes no . . . . 1.395 . -22.786 . 34.659 . 3.964 1.345 -0.174 22 . 19004 HEM C2C C2C C2C C2C . C . . N 0 . . . 1 yes no . . . . 0.854 . -24.130 . 34.500 . 4.531 2.601 -0.445 23 . 19004 HEM C3C C3C C3C C3C . C . . N 0 . . . 1 yes no . . . . 0.689 . -24.626 . 35.757 . 3.510 3.536 -0.437 24 . 19004 HEM C4C C4C C4C C4C . C . . N 0 . . . 1 yes no . . . . 1.139 . -23.583 . 36.674 . 2.304 2.846 -0.139 25 . 19004 HEM CMC CMC CMC CMC . C . . N 0 . . . 1 no no . . . . 0.550 . -24.782 . 33.175 . 5.991 2.880 -0.697 26 . 19004 HEM CAC CAC CAC CAC . C . . N 0 . . . 1 no no . . . . 0.164 . -25.943 . 36.196 . 3.649 4.981 -0.692 27 . 19004 HEM CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 0.498 . -27.158 . 35.750 . 4.201 5.407 -1.823 28 . 19004 HEM C1D C1D C1D C1D . C . . N 0 . . . 1 yes no . . . . 1.550 . -22.718 . 38.980 . -0.102 2.753 0.298 29 . 19004 HEM C2D C2D C2D C2D . C . . N 0 . . . 1 yes no . . . . 1.513 . -22.879 . 40.415 . -1.382 3.388 0.641 30 . 19004 HEM C3D C3D C3D C3D . C . . N 0 . . . 1 yes no . . . . 1.951 . -21.691 . 40.929 . -2.283 2.389 0.774 31 . 19004 HEM C4D C4D C4D C4D . C . . N 0 . . . 1 yes no . . . . 2.277 . -20.826 . 39.811 . -1.561 1.137 0.511 32 . 19004 HEM CMD CMD CMD CMD . C . . N 0 . . . 1 no no . . . . 1.055 . -24.094 . 41.156 . -1.639 4.863 0.811 33 . 19004 HEM CAD CAD CAD CAD . C . . N 0 . . . 1 no no . . . . 2.048 . -21.326 . 42.352 . -3.741 2.532 1.123 34 . 19004 HEM CBD CBD CBD CBD . C . . N 0 . . . 1 no no . . . . 0.741 . -20.498 . 42.530 . -4.573 2.563 -0.160 35 . 19004 HEM CGD CGD CGD CGD . C . . N 0 . . . 1 no no . . . . 0.578 . -19.987 . 43.892 . -6.032 2.706 0.189 36 . 19004 HEM O1D O1D O1D O1D . O . . N 0 . . . 1 no no . . . . 1.387 . -19.103 . 44.303 . -6.372 2.776 1.347 37 . 19004 HEM O2D O2D O2D O2D . O . . N 0 . . . 1 no no . . . . -0.401 . -20.468 . 44.537 . -6.954 2.755 -0.785 38 . 19004 HEM NA NA NA NA . N . . N 0 . . . 1 yes no . . . . 2.863 . -18.969 . 37.554 . -0.068 -1.456 0.321 39 . 19004 HEM NB NB NB NB . N . . N 0 . . . 1 yes no . . . . 2.439 . -19.944 . 34.911 . 2.820 -1.386 0.207 40 . 19004 HEM NC NC NC NC . N . . N 0 . . . 1 yes no . . . . 1.537 . -22.509 . 35.976 . 2.604 1.506 -0.033 41 . 19004 HEM ND ND ND ND . N . . N 0 . . . 1 yes no . . . . 2.008 . -21.465 . 38.663 . -0.276 1.431 0.298 42 . 19004 HEM FE FE FE FE . FE . . S 0 . . . 0 no no . . . . 2.196 . -20.749 . 36.814 . 1.010 0.157 -0.060 43 . 19004 HEM HHB HHB HHB HHB . H . . N 0 . . . 1 no no . . . . 3.587 . -16.798 . 35.072 . 1.498 -4.508 0.309 44 . 19004 HEM HHC HHC HHC HHC . H . . N 0 . . . 1 no no . . . . 1.553 . -22.268 . 32.633 . 5.786 0.229 -0.153 45 . 19004 HEM HHD HHD HHD HHD . H . . N 0 . . . 1 no no . . . . 0.802 . -24.613 . 38.472 . 1.018 4.543 -0.083 46 . 19004 HEM HMA HMA HMA HMA . H . . N 0 . . . 1 no no . . . . 5.316 . -15.524 . 37.249 . -1.220 -5.306 -0.847 47 . 19004 HEM HMAA HMAA HMAA HMAA . H . . N 0 . . . 0 no no . . . . 3.749 . -15.149 . 36.455 . -0.328 -5.480 0.683 48 . 19004 HEM HMAB HMAB HMAB HMAB . H . . N 0 . . . 0 no no . . . . 3.998 . -14.743 . 38.187 . -2.097 -5.285 0.702 49 . 19004 HEM HAA HAA HAA HAA . H . . N 0 . . . 1 no no . . . . 3.894 . -15.575 . 40.209 . -3.662 -3.862 0.782 50 . 19004 HEM HAAA HAAA HAAA HAAA . H . . N 0 . . . 0 no no . . . . 3.264 . -16.976 . 41.104 . -4.024 -2.121 0.869 51 . 19004 HEM HBA HBA HBA HBA . H . . N 0 . . . 1 no no . . . . 5.351 . -18.235 . 40.650 . -3.825 -1.956 -1.597 52 . 19004 HEM HBAA HBAA HBAA HBAA . H . . N 0 . . . 0 no no . . . . 5.999 . -16.792 . 39.732 . -3.464 -3.697 -1.684 53 . 19004 HEM HMB HMB HMB HMB . H . . N 0 . . . 1 no no . . . . 3.319 . -17.449 . 31.336 . 3.256 -5.336 0.660 54 . 19004 HEM HMBA HMBA HMBA HMBA . H . . N 0 . . . 0 no no . . . . 2.753 . -16.442 . 32.711 . 4.794 -5.175 -0.222 55 . 19004 HEM HMBB HMBB HMBB HMBB . H . . N 0 . . . 0 no no . . . . 4.435 . -17.072 . 32.692 . 4.752 -4.948 1.543 56 . 19004 HEM HAB HAB HAB HAB . H . . N 0 . . . 1 no no . . . . 2.770 . -21.100 . 30.963 . 6.927 -1.863 1.011 57 . 19004 HEM HBB HBB HBB HBB . H . . N 0 . . . 1 no no . . . . 1.719 . -19.927 . 29.245 . 7.994 -3.600 -0.277 58 . 19004 HEM HBBA HBBA HBBA HBBA . H . . N 0 . . . 0 no no . . . . 1.308 . -18.526 . 30.414 . 6.360 -3.987 -1.102 59 . 19004 HEM HMC HMC HMC HMC . H . . N 0 . . . 1 no no . . . . 1.438 . -25.328 . 32.822 . 6.554 1.949 -0.639 60 . 19004 HEM HMCA HMCA HMCA HMCA . H . . N 0 . . . 0 no no . . . . -0.288 . -25.484 . 33.296 . 6.110 3.316 -1.689 61 . 19004 HEM HMCB HMCB HMCB HMCB . H . . N 0 . . . 0 no no . . . . 0.278 . -24.010 . 32.440 . 6.362 3.578 0.053 62 . 19004 HEM HAC HAC HAC HAC . H . . N 0 . . . 1 no no . . . . -0.583 . -25.916 . 36.975 . 3.303 5.694 0.042 63 . 19004 HEM HBC HBC HBC HBC . H . . N 0 . . . 1 no no . . . . 0.027 . -28.035 . 36.169 . 4.614 4.696 -2.523 64 . 19004 HEM HBCA HBCA HBCA HBCA . H . . N 0 . . . 0 no no . . . . 1.239 . -27.263 . 34.971 . 4.235 6.464 -2.043 65 . 19004 HEM HMD HMD HMD HMD . H . . N 0 . . . 1 no no . . . . 1.142 . -23.919 . 42.238 . -0.715 5.415 0.639 66 . 19004 HEM HMDA HMDA HMDA HMDA . H . . N 0 . . . 0 no no . . . . 0.006 . -24.304 . 40.902 . -2.394 5.185 0.094 67 . 19004 HEM HMDB HMDB HMDB HMDB . H . . N 0 . . . 0 no no . . . . 1.680 . -24.954 . 40.872 . -1.994 5.055 1.824 68 . 19004 HEM HAD HAD HAD HAD . H . . N 0 . . . 1 no no . . . . 2.081 . -22.206 . 43.011 . -4.052 1.687 1.738 69 . 19004 HEM HADA HADA HADA HADA . H . . N 0 . . . 0 no no . . . . 2.951 . -20.739 . 42.575 . -3.893 3.459 1.677 70 . 19004 HEM HBD HBD HBD HBD . H . . N 0 . . . 1 no no . . . . 0.775 . -19.642 . 41.839 . -4.262 3.408 -0.775 71 . 19004 HEM HBDA HBDA HBDA HBDA . H . . N 0 . . . 0 no no . . . . -0.116 . -21.147 . 42.297 . -4.421 1.636 -0.714 72 . 19004 HEM H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 6.201 . -16.682 . 43.632 . -7.082 -3.510 -2.254 73 . 19004 HEM H2D H2D H2D H2D . H . . N 0 . . . 1 no no . . . . -0.445 . -20.063 . 45.395 . -7.877 2.847 -0.512 74 . 19004 HEM HHA HHA HHA HHA . H . . N 0 . . . 1 no no . . . . 2.913 . -19.150 . 40.893 . -3.246 -0.188 0.567 75 . 19004 HEM 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 . 19004 HEM 2 . DOUB CHA C4D yes N 2 . 19004 HEM 3 . SING CHA HHA no N 3 . 19004 HEM 4 . SING CHB C4A yes N 4 . 19004 HEM 5 . DOUB CHB C1B yes N 5 . 19004 HEM 6 . SING CHB HHB no N 6 . 19004 HEM 7 . SING CHC C4B yes N 7 . 19004 HEM 8 . DOUB CHC C1C yes N 8 . 19004 HEM 9 . SING CHC HHC no N 9 . 19004 HEM 10 . DOUB CHD C4C yes N 10 . 19004 HEM 11 . SING CHD C1D yes N 11 . 19004 HEM 12 . SING CHD HHD no N 12 . 19004 HEM 13 . DOUB C1A C2A yes N 13 . 19004 HEM 14 . SING C1A NA yes N 14 . 19004 HEM 15 . SING C2A C3A yes N 15 . 19004 HEM 16 . SING C2A CAA no N 16 . 19004 HEM 17 . DOUB C3A C4A yes N 17 . 19004 HEM 18 . SING C3A CMA no N 18 . 19004 HEM 19 . SING C4A NA yes N 19 . 19004 HEM 20 . SING CMA HMA no N 20 . 19004 HEM 21 . SING CMA HMAA no N 21 . 19004 HEM 22 . SING CMA HMAB no N 22 . 19004 HEM 23 . SING CAA CBA no N 23 . 19004 HEM 24 . SING CAA HAA no N 24 . 19004 HEM 25 . SING CAA HAAA no N 25 . 19004 HEM 26 . SING CBA CGA no N 26 . 19004 HEM 27 . SING CBA HBA no N 27 . 19004 HEM 28 . SING CBA HBAA no N 28 . 19004 HEM 29 . DOUB CGA O1A no N 29 . 19004 HEM 30 . SING CGA O2A no N 30 . 19004 HEM 31 . SING C1B C2B no N 31 . 19004 HEM 32 . SING C1B NB yes N 32 . 19004 HEM 33 . DOUB C2B C3B yes N 33 . 19004 HEM 34 . SING C2B CMB yes N 34 . 19004 HEM 35 . SING C3B C4B no N 35 . 19004 HEM 36 . SING C3B CAB yes N 36 . 19004 HEM 37 . DOUB C4B NB no N 37 . 19004 HEM 38 . SING CMB HMB yes N 38 . 19004 HEM 39 . SING CMB HMBA no N 39 . 19004 HEM 40 . SING CMB HMBB no N 40 . 19004 HEM 41 . DOUB CAB CBB no N 41 . 19004 HEM 42 . SING CAB HAB no N 42 . 19004 HEM 43 . SING CBB HBB no N 43 . 19004 HEM 44 . SING CBB HBBA no N 44 . 19004 HEM 45 . SING C1C C2C no N 45 . 19004 HEM 46 . SING C1C NC yes N 46 . 19004 HEM 47 . DOUB C2C C3C yes N 47 . 19004 HEM 48 . SING C2C CMC yes N 48 . 19004 HEM 49 . SING C3C C4C no N 49 . 19004 HEM 50 . SING C3C CAC yes N 50 . 19004 HEM 51 . SING C4C NC no N 51 . 19004 HEM 52 . SING CMC HMC yes N 52 . 19004 HEM 53 . SING CMC HMCA no N 53 . 19004 HEM 54 . SING CMC HMCB no N 54 . 19004 HEM 55 . DOUB CAC CBC no N 55 . 19004 HEM 56 . SING CAC HAC no N 56 . 19004 HEM 57 . SING CBC HBC no N 57 . 19004 HEM 58 . SING CBC HBCA no N 58 . 19004 HEM 59 . SING C1D C2D no N 59 . 19004 HEM 60 . DOUB C1D ND yes N 60 . 19004 HEM 61 . DOUB C2D C3D yes N 61 . 19004 HEM 62 . SING C2D CMD yes N 62 . 19004 HEM 63 . SING C3D C4D no N 63 . 19004 HEM 64 . SING C3D CAD yes N 64 . 19004 HEM 65 . SING C4D ND no N 65 . 19004 HEM 66 . SING CMD HMD yes N 66 . 19004 HEM 67 . SING CMD HMDA no N 67 . 19004 HEM 68 . SING CMD HMDB no N 68 . 19004 HEM 69 . SING CAD CBD no N 69 . 19004 HEM 70 . SING CAD HAD no N 70 . 19004 HEM 71 . SING CAD HADA no N 71 . 19004 HEM 72 . SING CBD CGD no N 72 . 19004 HEM 73 . SING CBD HBD no N 73 . 19004 HEM 74 . SING CBD HBDA no N 74 . 19004 HEM 75 . DOUB CGD O1D no N 75 . 19004 HEM 76 . SING CGD O2D no N 76 . 19004 HEM 77 . SING O2A H2A no N 77 . 19004 HEM 78 . SING O2D H2D no N 78 . 19004 HEM 79 . SING FE NA no N 79 . 19004 HEM 80 . SING FE NB no N 80 . 19004 HEM 81 . SING FE NC no N 81 . 19004 HEM 82 . SING FE ND no N 82 . 19004 HEM stop_ save_ save_chem_comp_CYN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CYN _Chem_comp.Entry_ID 19004 _Chem_comp.ID CYN _Chem_comp.Provenance PDB _Chem_comp.Name 'CYANIDE ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CYN _Chem_comp.PDB_code CYN _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 CN _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CYN _Chem_comp.Number_atoms_all 2 _Chem_comp.Number_atoms_nh 2 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/CN/c1-2/q-1 _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 -1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C N' _Chem_comp.Formula_weight 26.017 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1B0B _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 [C-]#N SMILES ACDLabs 10.04 19004 CYN [C-]#N SMILES CACTVS 3.341 19004 CYN [C-]#N SMILES 'OpenEye OEToolkits' 1.5.0 19004 CYN [C-]#N SMILES_CANONICAL CACTVS 3.341 19004 CYN [C-]#N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19004 CYN InChI=1S/CN/c1-2/q-1 InChI InChI 1.03 19004 CYN XFXPMWWXUTWYJX-UHFFFAOYSA-N InChIKey InChI 1.03 19004 CYN 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 cyanide 'SYSTEMATIC NAME' ACDLabs 10.04 19004 CYN cyanide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19004 CYN 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 C C C C . C . . N -1 . . . 1 no no . . . . 6.708 . -5.042 . 17.519 . 0.000 0.000 -0.611 1 . 19004 CYN N N N N . N . . N 0 . . . 1 no no . . . . 6.693 . -5.522 . 16.471 . 0.000 0.000 0.524 2 . 19004 CYN 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 . TRIP C N no N 1 . 19004 CYN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19004 _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 . . . 1.1 1.25 mM . . . . 19004 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19004 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19004 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19004 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19004 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 19004 _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 19004 1 pH 6 . pH 19004 1 pressure 1 . atm 19004 1 temperature 298 . K 19004 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19004 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19004 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19004 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 19004 _Software.ID 2 _Software.Name CCPN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19004 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19004 2 'data analysis' 19004 2 'peak picking' 19004 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19004 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19004 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19004 3 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 19004 _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 19004 _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 . . . 19004 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 19004 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19004 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19004 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19004 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19004 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19004 1 6 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19004 1 stop_ 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 19004 _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 . . . . . . . . . 19004 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19004 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19004 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 19004 _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' . . . 19004 1 2 '3D HNCA' . . . 19004 1 3 '3D HN(CO)CA' . . . 19004 1 4 '3D HNCO' . . . 19004 1 5 '3D HN(CA)CO' . . . 19004 1 6 '3D HN(CA)CB' . . . 19004 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 H H 1 8.30 0.04 . 1 . . . . 2 LYS H . 19004 1 2 . 1 1 2 2 LYS C C 13 175.85 0.2 . 1 . . . . 2 LYS C . 19004 1 3 . 1 1 2 2 LYS CA C 13 55.94 0.2 . 1 . . . . 2 LYS CA . 19004 1 4 . 1 1 2 2 LYS CB C 13 32.13 0.2 . 1 . . . . 2 LYS CB . 19004 1 5 . 1 1 2 2 LYS N N 15 123.62 0.2 . 1 . . . . 2 LYS N . 19004 1 6 . 1 1 3 3 THR H H 1 8.14 0.04 . 1 . . . . 3 THR H . 19004 1 7 . 1 1 3 3 THR C C 13 173.90 0.2 . 1 . . . . 3 THR C . 19004 1 8 . 1 1 3 3 THR CA C 13 61.51 0.2 . 1 . . . . 3 THR CA . 19004 1 9 . 1 1 3 3 THR CB C 13 69.38 0.2 . 1 . . . . 3 THR CB . 19004 1 10 . 1 1 3 3 THR N N 15 118.41 0.2 . 1 . . . . 3 THR N . 19004 1 11 . 1 1 4 4 LEU H H 1 8.17 0.04 . 1 . . . . 4 LEU H . 19004 1 12 . 1 1 4 4 LEU C C 13 175.99 0.2 . 1 . . . . 4 LEU C . 19004 1 13 . 1 1 4 4 LEU CA C 13 54.57 0.2 . 1 . . . . 4 LEU CA . 19004 1 14 . 1 1 4 4 LEU CB C 13 41.47 0.2 . 1 . . . . 4 LEU CB . 19004 1 15 . 1 1 4 4 LEU N N 15 126.86 0.2 . 1 . . . . 4 LEU N . 19004 1 16 . 1 1 5 5 VAL H H 1 8.13 0.04 . 1 . . . . 5 VAL H . 19004 1 17 . 1 1 5 5 VAL C C 13 174.57 0.2 . 1 . . . . 5 VAL C . 19004 1 18 . 1 1 5 5 VAL CA C 13 60.79 0.2 . 1 . . . . 5 VAL CA . 19004 1 19 . 1 1 5 5 VAL CB C 13 32.99 0.2 . 1 . . . . 5 VAL CB . 19004 1 20 . 1 1 5 5 VAL N N 15 124.14 0.2 . 1 . . . . 5 VAL N . 19004 1 21 . 1 1 6 6 HIS H H 1 8.68 0.04 . 1 . . . . 6 HIS H . 19004 1 22 . 1 1 6 6 HIS C C 13 172.34 0.2 . 1 . . . . 6 HIS C . 19004 1 23 . 1 1 6 6 HIS CA C 13 51.74 0.2 . 1 . . . . 6 HIS CA . 19004 1 24 . 1 1 6 6 HIS CB C 13 27.03 0.2 . 1 . . . . 6 HIS CB . 19004 1 25 . 1 1 6 6 HIS N N 15 125.07 0.2 . 1 . . . . 6 HIS N . 19004 1 26 . 1 1 7 7 VAL H H 1 8.84 0.04 . 1 . . . . 7 VAL H . 19004 1 27 . 1 1 7 7 VAL C C 13 177.91 0.2 . 1 . . . . 7 VAL C . 19004 1 28 . 1 1 7 7 VAL CA C 13 61.42 0.2 . 1 . . . . 7 VAL CA . 19004 1 29 . 1 1 7 7 VAL CB C 13 31.23 0.2 . 1 . . . . 7 VAL CB . 19004 1 30 . 1 1 7 7 VAL N N 15 124.98 0.2 . 1 . . . . 7 VAL N . 19004 1 31 . 1 1 8 8 ALA H H 1 8.50 0.04 . 1 . . . . 8 ALA H . 19004 1 32 . 1 1 8 8 ALA C C 13 177.04 0.2 . 1 . . . . 8 ALA C . 19004 1 33 . 1 1 8 8 ALA CA C 13 52.32 0.2 . 1 . . . . 8 ALA CA . 19004 1 34 . 1 1 8 8 ALA CB C 13 19.51 0.2 . 1 . . . . 8 ALA CB . 19004 1 35 . 1 1 8 8 ALA N N 15 135.58 0.2 . 1 . . . . 8 ALA N . 19004 1 36 . 1 1 9 9 SER H H 1 9.49 0.04 . 1 . . . . 9 SER H . 19004 1 37 . 1 1 9 9 SER C C 13 172.89 0.2 . 1 . . . . 9 SER C . 19004 1 38 . 1 1 9 9 SER CA C 13 56.10 0.2 . 1 . . . . 9 SER CA . 19004 1 39 . 1 1 9 9 SER CB C 13 63.44 0.2 . 1 . . . . 9 SER CB . 19004 1 40 . 1 1 9 9 SER N N 15 120.82 0.2 . 1 . . . . 9 SER N . 19004 1 41 . 1 1 10 10 VAL H H 1 8.46 0.04 . 1 . . . . 10 VAL H . 19004 1 42 . 1 1 10 10 VAL C C 13 180.94 0.2 . 1 . . . . 10 VAL C . 19004 1 43 . 1 1 10 10 VAL CA C 13 59.16 0.2 . 1 . . . . 10 VAL CA . 19004 1 44 . 1 1 10 10 VAL N N 15 128.15 0.2 . 1 . . . . 10 VAL N . 19004 1 45 . 1 1 11 11 GLU C C 13 176.76 0.2 . 1 . . . . 11 GLU C . 19004 1 46 . 1 1 11 11 GLU CA C 13 59.11 0.2 . 1 . . . . 11 GLU CA . 19004 1 47 . 1 1 12 12 LYS H H 1 8.17 0.04 . 1 . . . . 12 LYS H . 19004 1 48 . 1 1 12 12 LYS C C 13 178.79 0.2 . 1 . . . . 12 LYS C . 19004 1 49 . 1 1 12 12 LYS CA C 13 58.14 0.2 . 1 . . . . 12 LYS CA . 19004 1 50 . 1 1 12 12 LYS CB C 13 31.51 0.2 . 1 . . . . 12 LYS CB . 19004 1 51 . 1 1 12 12 LYS N N 15 123.64 0.2 . 1 . . . . 12 LYS N . 19004 1 52 . 1 1 13 13 GLY H H 1 8.86 0.04 . 1 . . . . 13 GLY H . 19004 1 53 . 1 1 13 13 GLY C C 13 173.89 0.2 . 1 . . . . 13 GLY C . 19004 1 54 . 1 1 13 13 GLY CA C 13 45.06 0.2 . 1 . . . . 13 GLY CA . 19004 1 55 . 1 1 13 13 GLY N N 15 113.29 0.2 . 1 . . . . 13 GLY N . 19004 1 56 . 1 1 14 14 ARG H H 1 7.67 0.04 . 1 . . . . 14 ARG H . 19004 1 57 . 1 1 14 14 ARG C C 13 175.53 0.2 . 1 . . . . 14 ARG C . 19004 1 58 . 1 1 14 14 ARG CA C 13 52.66 0.2 . 1 . . . . 14 ARG CA . 19004 1 59 . 1 1 14 14 ARG CB C 13 29.02 0.2 . 1 . . . . 14 ARG CB . 19004 1 60 . 1 1 14 14 ARG N N 15 119.05 0.2 . 1 . . . . 14 ARG N . 19004 1 61 . 1 1 15 15 SER H H 1 9.36 0.04 . 1 . . . . 15 SER H . 19004 1 62 . 1 1 15 15 SER C C 13 174.26 0.2 . 1 . . . . 15 SER C . 19004 1 63 . 1 1 15 15 SER CA C 13 56.43 0.2 . 1 . . . . 15 SER CA . 19004 1 64 . 1 1 15 15 SER CB C 13 65.88 0.2 . 1 . . . . 15 SER CB . 19004 1 65 . 1 1 15 15 SER N N 15 118.73 0.2 . 1 . . . . 15 SER N . 19004 1 66 . 1 1 16 16 TYR H H 1 8.91 0.04 . 1 . . . . 16 TYR H . 19004 1 67 . 1 1 16 16 TYR C C 13 176.06 0.2 . 1 . . . . 16 TYR C . 19004 1 68 . 1 1 16 16 TYR CA C 13 61.38 0.2 . 1 . . . . 16 TYR CA . 19004 1 69 . 1 1 16 16 TYR CB C 13 37.76 0.2 . 1 . . . . 16 TYR CB . 19004 1 70 . 1 1 16 16 TYR N N 15 122.15 0.2 . 1 . . . . 16 TYR N . 19004 1 71 . 1 1 17 17 GLU H H 1 8.79 0.04 . 1 . . . . 17 GLU H . 19004 1 72 . 1 1 17 17 GLU C C 13 179.12 0.2 . 1 . . . . 17 GLU C . 19004 1 73 . 1 1 17 17 GLU CA C 13 59.42 0.2 . 1 . . . . 17 GLU CA . 19004 1 74 . 1 1 17 17 GLU CB C 13 28.23 0.2 . 1 . . . . 17 GLU CB . 19004 1 75 . 1 1 17 17 GLU N N 15 117.12 0.2 . 1 . . . . 17 GLU N . 19004 1 76 . 1 1 18 18 ASP H H 1 7.51 0.04 . 1 . . . . 18 ASP H . 19004 1 77 . 1 1 18 18 ASP C C 13 177.91 0.2 . 1 . . . . 18 ASP C . 19004 1 78 . 1 1 18 18 ASP CA C 13 57.37 0.2 . 1 . . . . 18 ASP CA . 19004 1 79 . 1 1 18 18 ASP CB C 13 41.44 0.2 . 1 . . . . 18 ASP CB . 19004 1 80 . 1 1 18 18 ASP N N 15 117.82 0.2 . 1 . . . . 18 ASP N . 19004 1 81 . 1 1 19 19 PHE H H 1 7.38 0.04 . 1 . . . . 19 PHE H . 19004 1 82 . 1 1 19 19 PHE C C 13 177.30 0.2 . 1 . . . . 19 PHE C . 19004 1 83 . 1 1 19 19 PHE CA C 13 62.20 0.2 . 1 . . . . 19 PHE CA . 19004 1 84 . 1 1 19 19 PHE CB C 13 38.72 0.2 . 1 . . . . 19 PHE CB . 19004 1 85 . 1 1 19 19 PHE N N 15 116.01 0.2 . 1 . . . . 19 PHE N . 19004 1 86 . 1 1 20 20 GLN H H 1 8.76 0.04 . 1 . . . . 20 GLN H . 19004 1 87 . 1 1 20 20 GLN C C 13 177.65 0.2 . 1 . . . . 20 GLN C . 19004 1 88 . 1 1 20 20 GLN CA C 13 57.32 0.2 . 1 . . . . 20 GLN CA . 19004 1 89 . 1 1 20 20 GLN CB C 13 26.85 0.2 . 1 . . . . 20 GLN CB . 19004 1 90 . 1 1 20 20 GLN N N 15 121.72 0.2 . 1 . . . . 20 GLN N . 19004 1 91 . 1 1 21 21 LYS H H 1 7.32 0.04 . 1 . . . . 21 LYS H . 19004 1 92 . 1 1 21 21 LYS C C 13 178.77 0.2 . 1 . . . . 21 LYS C . 19004 1 93 . 1 1 21 21 LYS CA C 13 59.77 0.2 . 1 . . . . 21 LYS CA . 19004 1 94 . 1 1 21 21 LYS CB C 13 31.18 0.2 . 1 . . . . 21 LYS CB . 19004 1 95 . 1 1 21 21 LYS N N 15 119.55 0.2 . 1 . . . . 21 LYS N . 19004 1 96 . 1 1 22 22 VAL H H 1 6.76 0.04 . 1 . . . . 22 VAL H . 19004 1 97 . 1 1 22 22 VAL C C 13 177.03 0.2 . 1 . . . . 22 VAL C . 19004 1 98 . 1 1 22 22 VAL CA C 13 65.41 0.2 . 1 . . . . 22 VAL CA . 19004 1 99 . 1 1 22 22 VAL CB C 13 29.01 0.2 . 1 . . . . 22 VAL CB . 19004 1 100 . 1 1 22 22 VAL N N 15 121.96 0.2 . 1 . . . . 22 VAL N . 19004 1 101 . 1 1 23 23 TYR H H 1 7.77 0.04 . 1 . . . . 23 TYR H . 19004 1 102 . 1 1 23 23 TYR C C 13 177.32 0.2 . 1 . . . . 23 TYR C . 19004 1 103 . 1 1 23 23 TYR CA C 13 60.26 0.2 . 1 . . . . 23 TYR CA . 19004 1 104 . 1 1 23 23 TYR CB C 13 36.65 0.2 . 1 . . . . 23 TYR CB . 19004 1 105 . 1 1 23 23 TYR N N 15 120.62 0.2 . 1 . . . . 23 TYR N . 19004 1 106 . 1 1 24 24 ASN H H 1 8.65 0.04 . 1 . . . . 24 ASN H . 19004 1 107 . 1 1 24 24 ASN C C 13 176.75 0.2 . 1 . . . . 24 ASN C . 19004 1 108 . 1 1 24 24 ASN CA C 13 54.91 0.2 . 1 . . . . 24 ASN CA . 19004 1 109 . 1 1 24 24 ASN CB C 13 36.28 0.2 . 1 . . . . 24 ASN CB . 19004 1 110 . 1 1 24 24 ASN N N 15 118.02 0.2 . 1 . . . . 24 ASN N . 19004 1 111 . 1 1 25 25 ALA H H 1 7.76 0.04 . 1 . . . . 25 ALA H . 19004 1 112 . 1 1 25 25 ALA C C 13 181.00 0.2 . 1 . . . . 25 ALA C . 19004 1 113 . 1 1 25 25 ALA CA C 13 54.89 0.2 . 1 . . . . 25 ALA CA . 19004 1 114 . 1 1 25 25 ALA CB C 13 18.32 0.2 . 1 . . . . 25 ALA CB . 19004 1 115 . 1 1 25 25 ALA N N 15 123.18 0.2 . 1 . . . . 25 ALA N . 19004 1 116 . 1 1 26 26 ILE H H 1 7.90 0.04 . 1 . . . . 26 ILE H . 19004 1 117 . 1 1 26 26 ILE C C 13 176.80 0.2 . 1 . . . . 26 ILE C . 19004 1 118 . 1 1 26 26 ILE CA C 13 65.01 0.2 . 1 . . . . 26 ILE CA . 19004 1 119 . 1 1 26 26 ILE CB C 13 36.73 0.2 . 1 . . . . 26 ILE CB . 19004 1 120 . 1 1 26 26 ILE N N 15 120.30 0.2 . 1 . . . . 26 ILE N . 19004 1 121 . 1 1 27 27 ALA H H 1 8.90 0.04 . 1 . . . . 27 ALA H . 19004 1 122 . 1 1 27 27 ALA C C 13 180.30 0.2 . 1 . . . . 27 ALA C . 19004 1 123 . 1 1 27 27 ALA CA C 13 54.62 0.2 . 1 . . . . 27 ALA CA . 19004 1 124 . 1 1 27 27 ALA CB C 13 18.28 0.2 . 1 . . . . 27 ALA CB . 19004 1 125 . 1 1 27 27 ALA N N 15 122.18 0.2 . 1 . . . . 27 ALA N . 19004 1 126 . 1 1 28 28 LEU C C 13 179.63 0.2 . 1 . . . . 28 LEU C . 19004 1 127 . 1 1 28 28 LEU CA C 13 57.18 0.2 . 1 . . . . 28 LEU CA . 19004 1 128 . 1 1 28 28 LEU CB C 13 40.51 0.2 . 1 . . . . 28 LEU CB . 19004 1 129 . 1 1 29 29 LYS H H 1 7.47 0.04 . 1 . . . . 29 LYS H . 19004 1 130 . 1 1 29 29 LYS C C 13 178.54 0.2 . 1 . . . . 29 LYS C . 19004 1 131 . 1 1 29 29 LYS CA C 13 59.27 0.2 . 1 . . . . 29 LYS CA . 19004 1 132 . 1 1 29 29 LYS CB C 13 30.65 0.2 . 1 . . . . 29 LYS CB . 19004 1 133 . 1 1 29 29 LYS N N 15 123.43 0.2 . 1 . . . . 29 LYS N . 19004 1 134 . 1 1 30 30 LEU H H 1 8.38 0.04 . 1 . . . . 30 LEU H . 19004 1 135 . 1 1 30 30 LEU C C 13 180.03 0.2 . 1 . . . . 30 LEU C . 19004 1 136 . 1 1 30 30 LEU CA C 13 56.77 0.2 . 1 . . . . 30 LEU CA . 19004 1 137 . 1 1 30 30 LEU CB C 13 41.15 0.2 . 1 . . . . 30 LEU CB . 19004 1 138 . 1 1 30 30 LEU N N 15 119.64 0.2 . 1 . . . . 30 LEU N . 19004 1 139 . 1 1 31 31 ARG H H 1 7.09 0.04 . 1 . . . . 31 ARG H . 19004 1 140 . 1 1 31 31 ARG C C 13 177.16 0.2 . 1 . . . . 31 ARG C . 19004 1 141 . 1 1 31 31 ARG CA C 13 57.19 0.2 . 1 . . . . 31 ARG CA . 19004 1 142 . 1 1 31 31 ARG CB C 13 29.72 0.2 . 1 . . . . 31 ARG CB . 19004 1 143 . 1 1 31 31 ARG N N 15 116.39 0.2 . 1 . . . . 31 ARG N . 19004 1 144 . 1 1 32 32 GLU H H 1 7.71 0.04 . 1 . . . . 32 GLU H . 19004 1 145 . 1 1 32 32 GLU C C 13 177.54 0.2 . 1 . . . . 32 GLU C . 19004 1 146 . 1 1 32 32 GLU CA C 13 57.91 0.2 . 1 . . . . 32 GLU CA . 19004 1 147 . 1 1 32 32 GLU CB C 13 29.89 0.2 . 1 . . . . 32 GLU CB . 19004 1 148 . 1 1 32 32 GLU N N 15 118.98 0.2 . 1 . . . . 32 GLU N . 19004 1 149 . 1 1 33 33 ASP H H 1 8.38 0.04 . 1 . . . . 33 ASP H . 19004 1 150 . 1 1 33 33 ASP C C 13 177.28 0.2 . 1 . . . . 33 ASP C . 19004 1 151 . 1 1 33 33 ASP CA C 13 52.48 0.2 . 1 . . . . 33 ASP CA . 19004 1 152 . 1 1 33 33 ASP CB C 13 38.33 0.2 . 1 . . . . 33 ASP CB . 19004 1 153 . 1 1 33 33 ASP N N 15 122.85 0.2 . 1 . . . . 33 ASP N . 19004 1 154 . 1 1 34 34 ASP H H 1 8.01 0.04 . 1 . . . . 34 ASP H . 19004 1 155 . 1 1 34 34 ASP C C 13 176.22 0.2 . 1 . . . . 34 ASP C . 19004 1 156 . 1 1 34 34 ASP CA C 13 54.31 0.2 . 1 . . . . 34 ASP CA . 19004 1 157 . 1 1 34 34 ASP CB C 13 39.27 0.2 . 1 . . . . 34 ASP CB . 19004 1 158 . 1 1 34 34 ASP N N 15 119.26 0.2 . 1 . . . . 34 ASP N . 19004 1 159 . 1 1 35 35 GLU H H 1 8.21 0.04 . 1 . . . . 35 GLU H . 19004 1 160 . 1 1 35 35 GLU C C 13 176.81 0.2 . 1 . . . . 35 GLU C . 19004 1 161 . 1 1 35 35 GLU CA C 13 56.42 0.2 . 1 . . . . 35 GLU CA . 19004 1 162 . 1 1 35 35 GLU CB C 13 28.67 0.2 . 1 . . . . 35 GLU CB . 19004 1 163 . 1 1 35 35 GLU N N 15 118.04 0.2 . 1 . . . . 35 GLU N . 19004 1 164 . 1 1 36 36 TYR H H 1 6.52 0.04 . 1 . . . . 36 TYR H . 19004 1 165 . 1 1 36 36 TYR C C 13 173.72 0.2 . 1 . . . . 36 TYR C . 19004 1 166 . 1 1 36 36 TYR CA C 13 58.21 0.2 . 1 . . . . 36 TYR CA . 19004 1 167 . 1 1 36 36 TYR CB C 13 39.90 0.2 . 1 . . . . 36 TYR CB . 19004 1 168 . 1 1 36 36 TYR N N 15 121.16 0.2 . 1 . . . . 36 TYR N . 19004 1 169 . 1 1 37 37 ASP H H 1 7.71 0.04 . 1 . . . . 37 ASP H . 19004 1 170 . 1 1 37 37 ASP N N 15 127.81 0.2 . 1 . . . . 37 ASP N . 19004 1 171 . 1 1 40 40 ILE C C 13 178.59 0.2 . 1 . . . . 40 ILE C . 19004 1 172 . 1 1 41 41 GLY H H 1 8.14 0.04 . 1 . . . . 41 GLY H . 19004 1 173 . 1 1 41 41 GLY C C 13 172.92 0.2 . 1 . . . . 41 GLY C . 19004 1 174 . 1 1 41 41 GLY CA C 13 43.82 0.2 . 1 . . . . 41 GLY CA . 19004 1 175 . 1 1 41 41 GLY N N 15 106.88 0.2 . 1 . . . . 41 GLY N . 19004 1 176 . 1 1 42 42 TYR H H 1 9.05 0.04 . 1 . . . . 42 TYR H . 19004 1 177 . 1 1 42 42 TYR C C 13 174.56 0.2 . 1 . . . . 42 TYR C . 19004 1 178 . 1 1 42 42 TYR CA C 13 59.48 0.2 . 1 . . . . 42 TYR CA . 19004 1 179 . 1 1 42 42 TYR CB C 13 38.17 0.2 . 1 . . . . 42 TYR CB . 19004 1 180 . 1 1 42 42 TYR N N 15 115.45 0.2 . 1 . . . . 42 TYR N . 19004 1 181 . 1 1 43 43 GLY H H 1 8.81 0.04 . 1 . . . . 43 GLY H . 19004 1 182 . 1 1 43 43 GLY CA C 13 47.67 0.2 . 1 . . . . 43 GLY CA . 19004 1 183 . 1 1 43 43 GLY N N 15 108.44 0.2 . 1 . . . . 43 GLY N . 19004 1 184 . 1 1 45 45 VAL C C 13 176.71 0.2 . 1 . . . . 45 VAL C . 19004 1 185 . 1 1 45 45 VAL CA C 13 64.71 0.2 . 1 . . . . 45 VAL CA . 19004 1 186 . 1 1 45 45 VAL CB C 13 29.00 0.2 . 1 . . . . 45 VAL CB . 19004 1 187 . 1 1 46 46 LEU H H 1 7.18 0.04 . 1 . . . . 46 LEU H . 19004 1 188 . 1 1 46 46 LEU C C 13 181.00 0.2 . 1 . . . . 46 LEU C . 19004 1 189 . 1 1 46 46 LEU CA C 13 57.04 0.2 . 1 . . . . 46 LEU CA . 19004 1 190 . 1 1 46 46 LEU CB C 13 39.57 0.2 . 1 . . . . 46 LEU CB . 19004 1 191 . 1 1 46 46 LEU N N 15 121.82 0.2 . 1 . . . . 46 LEU N . 19004 1 192 . 1 1 47 47 VAL H H 1 7.05 0.04 . 1 . . . . 47 VAL H . 19004 1 193 . 1 1 47 47 VAL C C 13 176.64 0.2 . 1 . . . . 47 VAL C . 19004 1 194 . 1 1 47 47 VAL CA C 13 66.49 0.2 . 1 . . . . 47 VAL CA . 19004 1 195 . 1 1 47 47 VAL CB C 13 29.01 0.2 . 1 . . . . 47 VAL CB . 19004 1 196 . 1 1 47 47 VAL N N 15 122.07 0.2 . 1 . . . . 47 VAL N . 19004 1 197 . 1 1 48 48 ARG H H 1 6.74 0.04 . 1 . . . . 48 ARG H . 19004 1 198 . 1 1 48 48 ARG C C 13 177.91 0.2 . 1 . . . . 48 ARG C . 19004 1 199 . 1 1 48 48 ARG CA C 13 58.94 0.2 . 1 . . . . 48 ARG CA . 19004 1 200 . 1 1 48 48 ARG CB C 13 28.46 0.2 . 1 . . . . 48 ARG CB . 19004 1 201 . 1 1 48 48 ARG N N 15 120.10 0.2 . 1 . . . . 48 ARG N . 19004 1 202 . 1 1 49 49 LEU H H 1 8.58 0.04 . 1 . . . . 49 LEU H . 19004 1 203 . 1 1 49 49 LEU C C 13 179.35 0.2 . 1 . . . . 49 LEU C . 19004 1 204 . 1 1 49 49 LEU CA C 13 58.69 0.2 . 1 . . . . 49 LEU CA . 19004 1 205 . 1 1 49 49 LEU CB C 13 40.25 0.2 . 1 . . . . 49 LEU CB . 19004 1 206 . 1 1 49 49 LEU N N 15 122.12 0.2 . 1 . . . . 49 LEU N . 19004 1 207 . 1 1 50 50 ALA H H 1 7.77 0.04 . 1 . . . . 50 ALA H . 19004 1 208 . 1 1 50 50 ALA C C 13 179.24 0.2 . 1 . . . . 50 ALA C . 19004 1 209 . 1 1 50 50 ALA CA C 13 54.88 0.2 . 1 . . . . 50 ALA CA . 19004 1 210 . 1 1 50 50 ALA CB C 13 17.36 0.2 . 1 . . . . 50 ALA CB . 19004 1 211 . 1 1 50 50 ALA N N 15 124.09 0.2 . 1 . . . . 50 ALA N . 19004 1 212 . 1 1 51 51 TRP H H 1 7.70 0.04 . 1 . . . . 51 TRP H . 19004 1 213 . 1 1 51 51 TRP C C 13 177.40 0.2 . 1 . . . . 51 TRP C . 19004 1 214 . 1 1 51 51 TRP CA C 13 58.71 0.2 . 1 . . . . 51 TRP CA . 19004 1 215 . 1 1 51 51 TRP CB C 13 28.84 0.2 . 1 . . . . 51 TRP CB . 19004 1 216 . 1 1 51 51 TRP N N 15 121.13 0.2 . 1 . . . . 51 TRP N . 19004 1 217 . 1 1 52 52 HIS H H 1 9.88 0.04 . 1 . . . . 52 HIS H . 19004 1 218 . 1 1 52 52 HIS C C 13 177.28 0.2 . 1 . . . . 52 HIS C . 19004 1 219 . 1 1 52 52 HIS CA C 13 59.97 0.2 . 1 . . . . 52 HIS CA . 19004 1 220 . 1 1 52 52 HIS CB C 13 28.31 0.2 . 1 . . . . 52 HIS CB . 19004 1 221 . 1 1 52 52 HIS N N 15 121.08 0.2 . 1 . . . . 52 HIS N . 19004 1 222 . 1 1 53 53 THR H H 1 8.20 0.04 . 1 . . . . 53 THR H . 19004 1 223 . 1 1 53 53 THR C C 13 175.53 0.2 . 1 . . . . 53 THR C . 19004 1 224 . 1 1 53 53 THR CA C 13 63.77 0.2 . 1 . . . . 53 THR CA . 19004 1 225 . 1 1 53 53 THR CB C 13 69.18 0.2 . 1 . . . . 53 THR CB . 19004 1 226 . 1 1 53 53 THR N N 15 107.88 0.2 . 1 . . . . 53 THR N . 19004 1 227 . 1 1 54 54 SER H H 1 6.90 0.04 . 1 . . . . 54 SER H . 19004 1 228 . 1 1 54 54 SER C C 13 177.38 0.2 . 1 . . . . 54 SER C . 19004 1 229 . 1 1 54 54 SER CA C 13 60.39 0.2 . 1 . . . . 54 SER CA . 19004 1 230 . 1 1 54 54 SER CB C 13 63.30 0.2 . 1 . . . . 54 SER CB . 19004 1 231 . 1 1 54 54 SER N N 15 114.01 0.2 . 1 . . . . 54 SER N . 19004 1 232 . 1 1 55 55 GLY H H 1 8.85 0.04 . 1 . . . . 55 GLY H . 19004 1 233 . 1 1 55 55 GLY C C 13 169.72 0.2 . 1 . . . . 55 GLY C . 19004 1 234 . 1 1 55 55 GLY CA C 13 45.75 0.2 . 1 . . . . 55 GLY CA . 19004 1 235 . 1 1 55 55 GLY N N 15 113.23 0.2 . 1 . . . . 55 GLY N . 19004 1 236 . 1 1 56 56 THR H H 1 6.52 0.04 . 1 . . . . 56 THR H . 19004 1 237 . 1 1 56 56 THR C C 13 173.77 0.2 . 1 . . . . 56 THR C . 19004 1 238 . 1 1 56 56 THR CA C 13 60.38 0.2 . 1 . . . . 56 THR CA . 19004 1 239 . 1 1 56 56 THR CB C 13 70.04 0.2 . 1 . . . . 56 THR CB . 19004 1 240 . 1 1 56 56 THR N N 15 103.80 0.2 . 1 . . . . 56 THR N . 19004 1 241 . 1 1 57 57 TRP H H 1 7.02 0.04 . 1 . . . . 57 TRP H . 19004 1 242 . 1 1 57 57 TRP C C 13 173.73 0.2 . 1 . . . . 57 TRP C . 19004 1 243 . 1 1 57 57 TRP CA C 13 58.77 0.2 . 1 . . . . 57 TRP CA . 19004 1 244 . 1 1 57 57 TRP CB C 13 27.69 0.2 . 1 . . . . 57 TRP CB . 19004 1 245 . 1 1 57 57 TRP N N 15 122.08 0.2 . 1 . . . . 57 TRP N . 19004 1 246 . 1 1 58 58 ASP H H 1 7.43 0.04 . 1 . . . . 58 ASP H . 19004 1 247 . 1 1 58 58 ASP C C 13 174.95 0.2 . 1 . . . . 58 ASP C . 19004 1 248 . 1 1 58 58 ASP CA C 13 52.06 0.2 . 1 . . . . 58 ASP CA . 19004 1 249 . 1 1 58 58 ASP CB C 13 42.11 0.2 . 1 . . . . 58 ASP CB . 19004 1 250 . 1 1 58 58 ASP N N 15 126.02 0.2 . 1 . . . . 58 ASP N . 19004 1 251 . 1 1 59 59 LYS H H 1 6.66 0.04 . 1 . . . . 59 LYS H . 19004 1 252 . 1 1 59 59 LYS C C 13 177.15 0.2 . 1 . . . . 59 LYS C . 19004 1 253 . 1 1 59 59 LYS CA C 13 56.40 0.2 . 1 . . . . 59 LYS CA . 19004 1 254 . 1 1 59 59 LYS CB C 13 31.24 0.2 . 1 . . . . 59 LYS CB . 19004 1 255 . 1 1 59 59 LYS N N 15 122.68 0.2 . 1 . . . . 59 LYS N . 19004 1 256 . 1 1 60 60 HIS H H 1 8.75 0.04 . 1 . . . . 60 HIS H . 19004 1 257 . 1 1 60 60 HIS C C 13 175.47 0.2 . 1 . . . . 60 HIS C . 19004 1 258 . 1 1 60 60 HIS CA C 13 58.44 0.2 . 1 . . . . 60 HIS CA . 19004 1 259 . 1 1 60 60 HIS CB C 13 27.21 0.2 . 1 . . . . 60 HIS CB . 19004 1 260 . 1 1 60 60 HIS N N 15 119.20 0.2 . 1 . . . . 60 HIS N . 19004 1 261 . 1 1 61 61 ASP H H 1 6.82 0.04 . 1 . . . . 61 ASP H . 19004 1 262 . 1 1 61 61 ASP C C 13 176.07 0.2 . 1 . . . . 61 ASP C . 19004 1 263 . 1 1 61 61 ASP CA C 13 51.93 0.2 . 1 . . . . 61 ASP CA . 19004 1 264 . 1 1 61 61 ASP CB C 13 40.96 0.2 . 1 . . . . 61 ASP CB . 19004 1 265 . 1 1 61 61 ASP N N 15 114.24 0.2 . 1 . . . . 61 ASP N . 19004 1 266 . 1 1 62 62 ASN H H 1 8.28 0.04 . 1 . . . . 62 ASN H . 19004 1 267 . 1 1 62 62 ASN C C 13 174.57 0.2 . 1 . . . . 62 ASN C . 19004 1 268 . 1 1 62 62 ASN CA C 13 53.24 0.2 . 1 . . . . 62 ASN CA . 19004 1 269 . 1 1 62 62 ASN CB C 13 38.10 0.2 . 1 . . . . 62 ASN CB . 19004 1 270 . 1 1 62 62 ASN N N 15 117.65 0.2 . 1 . . . . 62 ASN N . 19004 1 271 . 1 1 63 63 THR H H 1 7.66 0.04 . 1 . . . . 63 THR H . 19004 1 272 . 1 1 63 63 THR C C 13 175.83 0.2 . 1 . . . . 63 THR C . 19004 1 273 . 1 1 63 63 THR CA C 13 60.65 0.2 . 1 . . . . 63 THR CA . 19004 1 274 . 1 1 63 63 THR CB C 13 71.67 0.2 . 1 . . . . 63 THR CB . 19004 1 275 . 1 1 63 63 THR N N 15 108.59 0.2 . 1 . . . . 63 THR N . 19004 1 276 . 1 1 64 64 GLY H H 1 8.58 0.04 . 1 . . . . 64 GLY H . 19004 1 277 . 1 1 64 64 GLY C C 13 176.15 0.2 . 1 . . . . 64 GLY C . 19004 1 278 . 1 1 64 64 GLY CA C 13 44.56 0.2 . 1 . . . . 64 GLY CA . 19004 1 279 . 1 1 64 64 GLY N N 15 105.63 0.2 . 1 . . . . 64 GLY N . 19004 1 280 . 1 1 65 65 GLY H H 1 8.22 0.04 . 1 . . . . 65 GLY H . 19004 1 281 . 1 1 65 65 GLY C C 13 173.37 0.2 . 1 . . . . 65 GLY C . 19004 1 282 . 1 1 65 65 GLY CA C 13 43.85 0.2 . 1 . . . . 65 GLY CA . 19004 1 283 . 1 1 65 65 GLY N N 15 107.86 0.2 . 1 . . . . 65 GLY N . 19004 1 284 . 1 1 66 66 SER H H 1 8.68 0.04 . 1 . . . . 66 SER H . 19004 1 285 . 1 1 66 66 SER C C 13 177.70 0.2 . 1 . . . . 66 SER C . 19004 1 286 . 1 1 66 66 SER CA C 13 59.84 0.2 . 1 . . . . 66 SER CA . 19004 1 287 . 1 1 66 66 SER CB C 13 63.74 0.2 . 1 . . . . 66 SER CB . 19004 1 288 . 1 1 66 66 SER N N 15 112.14 0.2 . 1 . . . . 66 SER N . 19004 1 289 . 1 1 67 67 TYR H H 1 8.49 0.04 . 1 . . . . 67 TYR H . 19004 1 290 . 1 1 67 67 TYR C C 13 175.55 0.2 . 1 . . . . 67 TYR C . 19004 1 291 . 1 1 67 67 TYR CA C 13 62.64 0.2 . 1 . . . . 67 TYR CA . 19004 1 292 . 1 1 67 67 TYR CB C 13 37.40 0.2 . 1 . . . . 67 TYR CB . 19004 1 293 . 1 1 67 67 TYR N N 15 122.70 0.2 . 1 . . . . 67 TYR N . 19004 1 294 . 1 1 68 68 GLY H H 1 8.56 0.04 . 1 . . . . 68 GLY H . 19004 1 295 . 1 1 68 68 GLY C C 13 176.28 0.2 . 1 . . . . 68 GLY C . 19004 1 296 . 1 1 68 68 GLY CA C 13 46.14 0.2 . 1 . . . . 68 GLY CA . 19004 1 297 . 1 1 68 68 GLY N N 15 99.31 0.2 . 1 . . . . 68 GLY N . 19004 1 298 . 1 1 69 69 GLY H H 1 7.88 0.04 . 1 . . . . 69 GLY H . 19004 1 299 . 1 1 69 69 GLY C C 13 178.00 0.2 . 1 . . . . 69 GLY C . 19004 1 300 . 1 1 69 69 GLY CA C 13 47.17 0.2 . 1 . . . . 69 GLY CA . 19004 1 301 . 1 1 69 69 GLY N N 15 109.90 0.2 . 1 . . . . 69 GLY N . 19004 1 302 . 1 1 70 70 THR H H 1 7.91 0.04 . 1 . . . . 70 THR H . 19004 1 303 . 1 1 70 70 THR C C 13 174.56 0.2 . 1 . . . . 70 THR C . 19004 1 304 . 1 1 70 70 THR CA C 13 64.48 0.2 . 1 . . . . 70 THR CA . 19004 1 305 . 1 1 70 70 THR CB C 13 67.44 0.2 . 1 . . . . 70 THR CB . 19004 1 306 . 1 1 70 70 THR N N 15 112.54 0.2 . 1 . . . . 70 THR N . 19004 1 307 . 1 1 71 71 TYR H H 1 8.56 0.04 . 1 . . . . 71 TYR H . 19004 1 308 . 1 1 71 71 TYR C C 13 171.37 0.2 . 1 . . . . 71 TYR C . 19004 1 309 . 1 1 71 71 TYR CA C 13 59.82 0.2 . 1 . . . . 71 TYR CA . 19004 1 310 . 1 1 71 71 TYR CB C 13 39.10 0.2 . 1 . . . . 71 TYR CB . 19004 1 311 . 1 1 71 71 TYR N N 15 124.74 0.2 . 1 . . . . 71 TYR N . 19004 1 312 . 1 1 72 72 ARG H H 1 7.00 0.04 . 1 . . . . 72 ARG H . 19004 1 313 . 1 1 72 72 ARG C C 13 176.37 0.2 . 1 . . . . 72 ARG C . 19004 1 314 . 1 1 72 72 ARG CA C 13 55.85 0.2 . 1 . . . . 72 ARG CA . 19004 1 315 . 1 1 72 72 ARG CB C 13 28.65 0.2 . 1 . . . . 72 ARG CB . 19004 1 316 . 1 1 72 72 ARG N N 15 108.53 0.2 . 1 . . . . 72 ARG N . 19004 1 317 . 1 1 73 73 PHE H H 1 8.42 0.04 . 1 . . . . 73 PHE H . 19004 1 318 . 1 1 73 73 PHE C C 13 176.78 0.2 . 1 . . . . 73 PHE C . 19004 1 319 . 1 1 73 73 PHE CA C 13 57.46 0.2 . 1 . . . . 73 PHE CA . 19004 1 320 . 1 1 73 73 PHE CB C 13 38.09 0.2 . 1 . . . . 73 PHE CB . 19004 1 321 . 1 1 73 73 PHE N N 15 123.82 0.2 . 1 . . . . 73 PHE N . 19004 1 322 . 1 1 74 74 LYS H H 1 8.97 0.04 . 1 . . . . 74 LYS H . 19004 1 323 . 1 1 74 74 LYS C C 13 177.32 0.2 . 1 . . . . 74 LYS C . 19004 1 324 . 1 1 74 74 LYS CA C 13 59.12 0.2 . 1 . . . . 74 LYS CA . 19004 1 325 . 1 1 74 74 LYS CB C 13 31.84 0.2 . 1 . . . . 74 LYS CB . 19004 1 326 . 1 1 74 74 LYS N N 15 122.53 0.2 . 1 . . . . 74 LYS N . 19004 1 327 . 1 1 75 75 LYS H H 1 8.79 0.04 . 1 . . . . 75 LYS H . 19004 1 328 . 1 1 75 75 LYS C C 13 177.90 0.2 . 1 . . . . 75 LYS C . 19004 1 329 . 1 1 75 75 LYS CA C 13 59.90 0.2 . 1 . . . . 75 LYS CA . 19004 1 330 . 1 1 75 75 LYS CB C 13 31.82 0.2 . 1 . . . . 75 LYS CB . 19004 1 331 . 1 1 75 75 LYS N N 15 117.93 0.2 . 1 . . . . 75 LYS N . 19004 1 332 . 1 1 76 76 GLU H H 1 6.91 0.04 . 1 . . . . 76 GLU H . 19004 1 333 . 1 1 76 76 GLU C C 13 179.77 0.2 . 1 . . . . 76 GLU C . 19004 1 334 . 1 1 76 76 GLU CA C 13 57.88 0.2 . 1 . . . . 76 GLU CA . 19004 1 335 . 1 1 76 76 GLU CB C 13 30.28 0.2 . 1 . . . . 76 GLU CB . 19004 1 336 . 1 1 76 76 GLU N N 15 119.25 0.2 . 1 . . . . 76 GLU N . 19004 1 337 . 1 1 77 77 PHE H H 1 8.83 0.04 . 1 . . . . 77 PHE H . 19004 1 338 . 1 1 77 77 PHE C C 13 178.21 0.2 . 1 . . . . 77 PHE C . 19004 1 339 . 1 1 77 77 PHE CA C 13 61.01 0.2 . 1 . . . . 77 PHE CA . 19004 1 340 . 1 1 77 77 PHE CB C 13 37.90 0.2 . 1 . . . . 77 PHE CB . 19004 1 341 . 1 1 77 77 PHE N N 15 125.62 0.2 . 1 . . . . 77 PHE N . 19004 1 342 . 1 1 78 78 ASN H H 1 8.19 0.04 . 1 . . . . 78 ASN H . 19004 1 343 . 1 1 78 78 ASN C C 13 174.91 0.2 . 1 . . . . 78 ASN C . 19004 1 344 . 1 1 78 78 ASN CA C 13 52.76 0.2 . 1 . . . . 78 ASN CA . 19004 1 345 . 1 1 78 78 ASN CB C 13 38.12 0.2 . 1 . . . . 78 ASN CB . 19004 1 346 . 1 1 78 78 ASN N N 15 112.70 0.2 . 1 . . . . 78 ASN N . 19004 1 347 . 1 1 79 79 ASP H H 1 7.77 0.04 . 1 . . . . 79 ASP H . 19004 1 348 . 1 1 79 79 ASP C C 13 178.46 0.2 . 1 . . . . 79 ASP C . 19004 1 349 . 1 1 79 79 ASP CA C 13 53.06 0.2 . 1 . . . . 79 ASP CA . 19004 1 350 . 1 1 79 79 ASP CB C 13 42.37 0.2 . 1 . . . . 79 ASP CB . 19004 1 351 . 1 1 79 79 ASP N N 15 124.90 0.2 . 1 . . . . 79 ASP N . 19004 1 352 . 1 1 80 80 PRO C C 13 181.03 0.2 . 1 . . . . 80 PRO C . 19004 1 353 . 1 1 80 80 PRO CA C 13 65.95 0.2 . 1 . . . . 80 PRO CA . 19004 1 354 . 1 1 80 80 PRO CB C 13 31.57 0.2 . 1 . . . . 80 PRO CB . 19004 1 355 . 1 1 81 81 SER H H 1 9.44 0.04 . 1 . . . . 81 SER H . 19004 1 356 . 1 1 81 81 SER C C 13 175.19 0.2 . 1 . . . . 81 SER C . 19004 1 357 . 1 1 81 81 SER CA C 13 62.26 0.2 . 1 . . . . 81 SER CA . 19004 1 358 . 1 1 81 81 SER CB C 13 63.88 0.2 . 1 . . . . 81 SER CB . 19004 1 359 . 1 1 81 81 SER N N 15 116.02 0.2 . 1 . . . . 81 SER N . 19004 1 360 . 1 1 82 82 ASN H H 1 9.59 0.04 . 1 . . . . 82 ASN H . 19004 1 361 . 1 1 82 82 ASN C C 13 176.90 0.2 . 1 . . . . 82 ASN C . 19004 1 362 . 1 1 82 82 ASN CA C 13 52.59 0.2 . 1 . . . . 82 ASN CA . 19004 1 363 . 1 1 82 82 ASN CB C 13 39.00 0.2 . 1 . . . . 82 ASN CB . 19004 1 364 . 1 1 82 82 ASN N N 15 115.97 0.2 . 1 . . . . 82 ASN N . 19004 1 365 . 1 1 83 83 ALA H H 1 8.49 0.04 . 1 . . . . 83 ALA H . 19004 1 366 . 1 1 83 83 ALA C C 13 178.95 0.2 . 1 . . . . 83 ALA C . 19004 1 367 . 1 1 83 83 ALA CA C 13 55.89 0.2 . 1 . . . . 83 ALA CA . 19004 1 368 . 1 1 83 83 ALA CB C 13 18.51 0.2 . 1 . . . . 83 ALA CB . 19004 1 369 . 1 1 83 83 ALA N N 15 128.74 0.2 . 1 . . . . 83 ALA N . 19004 1 370 . 1 1 84 84 GLY H H 1 9.16 0.04 . 1 . . . . 84 GLY H . 19004 1 371 . 1 1 84 84 GLY C C 13 176.66 0.2 . 1 . . . . 84 GLY C . 19004 1 372 . 1 1 84 84 GLY CA C 13 45.17 0.2 . 1 . . . . 84 GLY CA . 19004 1 373 . 1 1 84 84 GLY N N 15 115.45 0.2 . 1 . . . . 84 GLY N . 19004 1 374 . 1 1 85 85 LEU H H 1 8.79 0.04 . 1 . . . . 85 LEU H . 19004 1 375 . 1 1 85 85 LEU C C 13 178.61 0.2 . 1 . . . . 85 LEU C . 19004 1 376 . 1 1 85 85 LEU CA C 13 56.79 0.2 . 1 . . . . 85 LEU CA . 19004 1 377 . 1 1 85 85 LEU CB C 13 40.17 0.2 . 1 . . . . 85 LEU CB . 19004 1 378 . 1 1 85 85 LEU N N 15 120.09 0.2 . 1 . . . . 85 LEU N . 19004 1 379 . 1 1 86 86 GLN H H 1 10.12 0.04 . 1 . . . . 86 GLN H . 19004 1 380 . 1 1 86 86 GLN C C 13 178.65 0.2 . 1 . . . . 86 GLN C . 19004 1 381 . 1 1 86 86 GLN CA C 13 59.15 0.2 . 1 . . . . 86 GLN CA . 19004 1 382 . 1 1 86 86 GLN CB C 13 26.12 0.2 . 1 . . . . 86 GLN CB . 19004 1 383 . 1 1 86 86 GLN N N 15 123.14 0.2 . 1 . . . . 86 GLN N . 19004 1 384 . 1 1 87 87 ASN H H 1 7.62 0.04 . 1 . . . . 87 ASN H . 19004 1 385 . 1 1 87 87 ASN C C 13 178.30 0.2 . 1 . . . . 87 ASN C . 19004 1 386 . 1 1 87 87 ASN CA C 13 56.08 0.2 . 1 . . . . 87 ASN CA . 19004 1 387 . 1 1 87 87 ASN CB C 13 38.02 0.2 . 1 . . . . 87 ASN CB . 19004 1 388 . 1 1 87 87 ASN N N 15 116.67 0.2 . 1 . . . . 87 ASN N . 19004 1 389 . 1 1 88 88 GLY H H 1 7.66 0.04 . 1 . . . . 88 GLY H . 19004 1 390 . 1 1 88 88 GLY C C 13 173.70 0.2 . 1 . . . . 88 GLY C . 19004 1 391 . 1 1 88 88 GLY CA C 13 46.49 0.2 . 1 . . . . 88 GLY CA . 19004 1 392 . 1 1 88 88 GLY N N 15 107.43 0.2 . 1 . . . . 88 GLY N . 19004 1 393 . 1 1 89 89 PHE H H 1 8.25 0.04 . 1 . . . . 89 PHE H . 19004 1 394 . 1 1 89 89 PHE C C 13 177.63 0.2 . 1 . . . . 89 PHE C . 19004 1 395 . 1 1 89 89 PHE CA C 13 62.05 0.2 . 1 . . . . 89 PHE CA . 19004 1 396 . 1 1 89 89 PHE CB C 13 39.35 0.2 . 1 . . . . 89 PHE CB . 19004 1 397 . 1 1 89 89 PHE N N 15 123.28 0.2 . 1 . . . . 89 PHE N . 19004 1 398 . 1 1 90 90 LYS H H 1 8.61 0.04 . 1 . . . . 90 LYS H . 19004 1 399 . 1 1 90 90 LYS C C 13 178.95 0.2 . 1 . . . . 90 LYS C . 19004 1 400 . 1 1 90 90 LYS CA C 13 58.42 0.2 . 1 . . . . 90 LYS CA . 19004 1 401 . 1 1 90 90 LYS CB C 13 31.27 0.2 . 1 . . . . 90 LYS CB . 19004 1 402 . 1 1 90 90 LYS N N 15 118.04 0.2 . 1 . . . . 90 LYS N . 19004 1 403 . 1 1 91 91 PHE H H 1 7.14 0.04 . 1 . . . . 91 PHE H . 19004 1 404 . 1 1 91 91 PHE C C 13 175.67 0.2 . 1 . . . . 91 PHE C . 19004 1 405 . 1 1 91 91 PHE CA C 13 60.38 0.2 . 1 . . . . 91 PHE CA . 19004 1 406 . 1 1 91 91 PHE CB C 13 37.67 0.2 . 1 . . . . 91 PHE CB . 19004 1 407 . 1 1 91 91 PHE N N 15 121.16 0.2 . 1 . . . . 91 PHE N . 19004 1 408 . 1 1 92 92 LEU H H 1 7.19 0.04 . 1 . . . . 92 LEU H . 19004 1 409 . 1 1 92 92 LEU C C 13 178.53 0.2 . 1 . . . . 92 LEU C . 19004 1 410 . 1 1 92 92 LEU CA C 13 55.04 0.2 . 1 . . . . 92 LEU CA . 19004 1 411 . 1 1 92 92 LEU CB C 13 41.89 0.2 . 1 . . . . 92 LEU CB . 19004 1 412 . 1 1 92 92 LEU N N 15 114.20 0.2 . 1 . . . . 92 LEU N . 19004 1 413 . 1 1 93 93 GLU H H 1 7.71 0.04 . 1 . . . . 93 GLU H . 19004 1 414 . 1 1 93 93 GLU C C 13 175.96 0.2 . 1 . . . . 93 GLU C . 19004 1 415 . 1 1 93 93 GLU CA C 13 61.38 0.2 . 1 . . . . 93 GLU CA . 19004 1 416 . 1 1 93 93 GLU CB C 13 26.62 0.2 . 1 . . . . 93 GLU CB . 19004 1 417 . 1 1 93 93 GLU N N 15 123.12 0.2 . 1 . . . . 93 GLU N . 19004 1 418 . 1 1 94 94 PRO C C 13 179.86 0.2 . 1 . . . . 94 PRO C . 19004 1 419 . 1 1 94 94 PRO CA C 13 64.97 0.2 . 1 . . . . 94 PRO CA . 19004 1 420 . 1 1 94 94 PRO CB C 13 29.91 0.2 . 1 . . . . 94 PRO CB . 19004 1 421 . 1 1 95 95 ILE H H 1 6.61 0.04 . 1 . . . . 95 ILE H . 19004 1 422 . 1 1 95 95 ILE C C 13 177.54 0.2 . 1 . . . . 95 ILE C . 19004 1 423 . 1 1 95 95 ILE CA C 13 62.94 0.2 . 1 . . . . 95 ILE CA . 19004 1 424 . 1 1 95 95 ILE CB C 13 35.53 0.2 . 1 . . . . 95 ILE CB . 19004 1 425 . 1 1 95 95 ILE N N 15 119.23 0.2 . 1 . . . . 95 ILE N . 19004 1 426 . 1 1 96 96 HIS H H 1 8.19 0.04 . 1 . . . . 96 HIS H . 19004 1 427 . 1 1 96 96 HIS C C 13 177.52 0.2 . 1 . . . . 96 HIS C . 19004 1 428 . 1 1 96 96 HIS CA C 13 55.34 0.2 . 1 . . . . 96 HIS CA . 19004 1 429 . 1 1 96 96 HIS CB C 13 28.66 0.2 . 1 . . . . 96 HIS CB . 19004 1 430 . 1 1 96 96 HIS N N 15 121.23 0.2 . 1 . . . . 96 HIS N . 19004 1 431 . 1 1 97 97 LYS H H 1 7.62 0.04 . 1 . . . . 97 LYS H . 19004 1 432 . 1 1 97 97 LYS C C 13 177.81 0.2 . 1 . . . . 97 LYS C . 19004 1 433 . 1 1 97 97 LYS CA C 13 58.03 0.2 . 1 . . . . 97 LYS CA . 19004 1 434 . 1 1 97 97 LYS CB C 13 31.13 0.2 . 1 . . . . 97 LYS CB . 19004 1 435 . 1 1 97 97 LYS N N 15 115.38 0.2 . 1 . . . . 97 LYS N . 19004 1 436 . 1 1 98 98 GLU H H 1 7.06 0.04 . 1 . . . . 98 GLU H . 19004 1 437 . 1 1 98 98 GLU C C 13 175.71 0.2 . 1 . . . . 98 GLU C . 19004 1 438 . 1 1 98 98 GLU CA C 13 57.29 0.2 . 1 . . . . 98 GLU CA . 19004 1 439 . 1 1 98 98 GLU CB C 13 28.57 0.2 . 1 . . . . 98 GLU CB . 19004 1 440 . 1 1 98 98 GLU N N 15 119.45 0.2 . 1 . . . . 98 GLU N . 19004 1 441 . 1 1 99 99 PHE H H 1 7.35 0.04 . 1 . . . . 99 PHE H . 19004 1 442 . 1 1 99 99 PHE C C 13 172.45 0.2 . 1 . . . . 99 PHE C . 19004 1 443 . 1 1 99 99 PHE CA C 13 53.56 0.2 . 1 . . . . 99 PHE CA . 19004 1 444 . 1 1 99 99 PHE CB C 13 37.15 0.2 . 1 . . . . 99 PHE CB . 19004 1 445 . 1 1 99 99 PHE N N 15 116.85 0.2 . 1 . . . . 99 PHE N . 19004 1 446 . 1 1 103 103 SER C C 13 175.13 0.2 . 1 . . . . 103 SER C . 19004 1 447 . 1 1 103 103 SER CA C 13 57.27 0.2 . 1 . . . . 103 SER CA . 19004 1 448 . 1 1 103 103 SER CB C 13 64.41 0.2 . 1 . . . . 103 SER CB . 19004 1 449 . 1 1 104 104 SER H H 1 10.29 0.04 . 1 . . . . 104 SER H . 19004 1 450 . 1 1 104 104 SER C C 13 174.50 0.2 . 1 . . . . 104 SER C . 19004 1 451 . 1 1 104 104 SER CA C 13 63.43 0.2 . 1 . . . . 104 SER CA . 19004 1 452 . 1 1 104 104 SER CB C 13 61.54 0.2 . 1 . . . . 104 SER CB . 19004 1 453 . 1 1 104 104 SER N N 15 120.89 0.2 . 1 . . . . 104 SER N . 19004 1 454 . 1 1 105 105 GLY H H 1 9.59 0.04 . 1 . . . . 105 GLY H . 19004 1 455 . 1 1 105 105 GLY C C 13 179.05 0.2 . 1 . . . . 105 GLY C . 19004 1 456 . 1 1 105 105 GLY CA C 13 45.82 0.2 . 1 . . . . 105 GLY CA . 19004 1 457 . 1 1 105 105 GLY N N 15 109.27 0.2 . 1 . . . . 105 GLY N . 19004 1 458 . 1 1 106 106 ASP H H 1 7.63 0.04 . 1 . . . . 106 ASP H . 19004 1 459 . 1 1 106 106 ASP C C 13 176.04 0.2 . 1 . . . . 106 ASP C . 19004 1 460 . 1 1 106 106 ASP CA C 13 57.85 0.2 . 1 . . . . 106 ASP CA . 19004 1 461 . 1 1 106 106 ASP CB C 13 38.19 0.2 . 1 . . . . 106 ASP CB . 19004 1 462 . 1 1 106 106 ASP N N 15 124.85 0.2 . 1 . . . . 106 ASP N . 19004 1 463 . 1 1 107 107 LEU H H 1 7.92 0.04 . 1 . . . . 107 LEU H . 19004 1 464 . 1 1 107 107 LEU C C 13 178.16 0.2 . 1 . . . . 107 LEU C . 19004 1 465 . 1 1 107 107 LEU CA C 13 57.95 0.2 . 1 . . . . 107 LEU CA . 19004 1 466 . 1 1 107 107 LEU CB C 13 39.96 0.2 . 1 . . . . 107 LEU CB . 19004 1 467 . 1 1 107 107 LEU N N 15 122.29 0.2 . 1 . . . . 107 LEU N . 19004 1 468 . 1 1 108 108 PHE H H 1 8.75 0.04 . 1 . . . . 108 PHE H . 19004 1 469 . 1 1 108 108 PHE C C 13 179.38 0.2 . 1 . . . . 108 PHE C . 19004 1 470 . 1 1 108 108 PHE CA C 13 57.16 0.2 . 1 . . . . 108 PHE CA . 19004 1 471 . 1 1 108 108 PHE CB C 13 37.16 0.2 . 1 . . . . 108 PHE CB . 19004 1 472 . 1 1 108 108 PHE N N 15 116.20 0.2 . 1 . . . . 108 PHE N . 19004 1 473 . 1 1 109 109 SER H H 1 7.89 0.04 . 1 . . . . 109 SER H . 19004 1 474 . 1 1 109 109 SER C C 13 175.81 0.2 . 1 . . . . 109 SER C . 19004 1 475 . 1 1 109 109 SER CA C 13 61.23 0.2 . 1 . . . . 109 SER CA . 19004 1 476 . 1 1 109 109 SER CB C 13 62.97 0.2 . 1 . . . . 109 SER CB . 19004 1 477 . 1 1 109 109 SER N N 15 112.54 0.2 . 1 . . . . 109 SER N . 19004 1 478 . 1 1 110 110 LEU H H 1 8.62 0.04 . 1 . . . . 110 LEU H . 19004 1 479 . 1 1 110 110 LEU C C 13 180.64 0.2 . 1 . . . . 110 LEU C . 19004 1 480 . 1 1 110 110 LEU CA C 13 56.88 0.2 . 1 . . . . 110 LEU CA . 19004 1 481 . 1 1 110 110 LEU CB C 13 40.32 0.2 . 1 . . . . 110 LEU CB . 19004 1 482 . 1 1 110 110 LEU N N 15 127.53 0.2 . 1 . . . . 110 LEU N . 19004 1 483 . 1 1 111 111 GLY H H 1 8.66 0.04 . 1 . . . . 111 GLY H . 19004 1 484 . 1 1 111 111 GLY C C 13 174.37 0.2 . 1 . . . . 111 GLY C . 19004 1 485 . 1 1 111 111 GLY CA C 13 47.42 0.2 . 1 . . . . 111 GLY CA . 19004 1 486 . 1 1 111 111 GLY N N 15 109.01 0.2 . 1 . . . . 111 GLY N . 19004 1 487 . 1 1 112 112 GLY H H 1 6.91 0.04 . 1 . . . . 112 GLY H . 19004 1 488 . 1 1 112 112 GLY C C 13 173.91 0.2 . 1 . . . . 112 GLY C . 19004 1 489 . 1 1 112 112 GLY CA C 13 46.59 0.2 . 1 . . . . 112 GLY CA . 19004 1 490 . 1 1 112 112 GLY N N 15 105.11 0.2 . 1 . . . . 112 GLY N . 19004 1 491 . 1 1 113 113 VAL H H 1 7.31 0.04 . 1 . . . . 113 VAL H . 19004 1 492 . 1 1 113 113 VAL C C 13 176.69 0.2 . 1 . . . . 113 VAL C . 19004 1 493 . 1 1 113 113 VAL CA C 13 67.13 0.2 . 1 . . . . 113 VAL CA . 19004 1 494 . 1 1 113 113 VAL CB C 13 31.58 0.2 . 1 . . . . 113 VAL CB . 19004 1 495 . 1 1 113 113 VAL N N 15 121.97 0.2 . 1 . . . . 113 VAL N . 19004 1 496 . 1 1 114 114 THR H H 1 8.47 0.04 . 1 . . . . 114 THR H . 19004 1 497 . 1 1 114 114 THR C C 13 175.50 0.2 . 1 . . . . 114 THR C . 19004 1 498 . 1 1 114 114 THR CA C 13 65.78 0.2 . 1 . . . . 114 THR CA . 19004 1 499 . 1 1 114 114 THR CB C 13 67.74 0.2 . 1 . . . . 114 THR CB . 19004 1 500 . 1 1 114 114 THR N N 15 115.55 0.2 . 1 . . . . 114 THR N . 19004 1 501 . 1 1 115 115 ALA H H 1 7.43 0.04 . 1 . . . . 115 ALA H . 19004 1 502 . 1 1 115 115 ALA C C 13 177.87 0.2 . 1 . . . . 115 ALA C . 19004 1 503 . 1 1 115 115 ALA CA C 13 55.30 0.2 . 1 . . . . 115 ALA CA . 19004 1 504 . 1 1 115 115 ALA CB C 13 18.43 0.2 . 1 . . . . 115 ALA CB . 19004 1 505 . 1 1 115 115 ALA N N 15 120.91 0.2 . 1 . . . . 115 ALA N . 19004 1 506 . 1 1 116 116 VAL H H 1 7.41 0.04 . 1 . . . . 116 VAL H . 19004 1 507 . 1 1 116 116 VAL C C 13 178.53 0.2 . 1 . . . . 116 VAL C . 19004 1 508 . 1 1 116 116 VAL CA C 13 67.64 0.2 . 1 . . . . 116 VAL CA . 19004 1 509 . 1 1 116 116 VAL CB C 13 30.34 0.2 . 1 . . . . 116 VAL CB . 19004 1 510 . 1 1 116 116 VAL N N 15 114.96 0.2 . 1 . . . . 116 VAL N . 19004 1 511 . 1 1 117 117 GLN H H 1 7.83 0.04 . 1 . . . . 117 GLN H . 19004 1 512 . 1 1 117 117 GLN CA C 13 59.19 0.2 . 1 . . . . 117 GLN CA . 19004 1 513 . 1 1 117 117 GLN CB C 13 27.41 0.2 . 1 . . . . 117 GLN CB . 19004 1 514 . 1 1 117 117 GLN N N 15 114.86 0.2 . 1 . . . . 117 GLN N . 19004 1 515 . 1 1 118 118 GLU H H 1 8.95 0.04 . 1 . . . . 118 GLU H . 19004 1 516 . 1 1 118 118 GLU C C 13 177.93 0.2 . 1 . . . . 118 GLU C . 19004 1 517 . 1 1 118 118 GLU CA C 13 57.69 0.2 . 1 . . . . 118 GLU CA . 19004 1 518 . 1 1 118 118 GLU CB C 13 28.17 0.2 . 1 . . . . 118 GLU CB . 19004 1 519 . 1 1 118 118 GLU N N 15 119.63 0.2 . 1 . . . . 118 GLU N . 19004 1 520 . 1 1 119 119 MET H H 1 7.40 0.04 . 1 . . . . 119 MET H . 19004 1 521 . 1 1 119 119 MET C C 13 173.43 0.2 . 1 . . . . 119 MET C . 19004 1 522 . 1 1 119 119 MET CA C 13 56.00 0.2 . 1 . . . . 119 MET CA . 19004 1 523 . 1 1 119 119 MET CB C 13 30.80 0.2 . 1 . . . . 119 MET CB . 19004 1 524 . 1 1 119 119 MET N N 15 119.95 0.2 . 1 . . . . 119 MET N . 19004 1 525 . 1 1 120 120 GLN H H 1 7.39 0.04 . 1 . . . . 120 GLN H . 19004 1 526 . 1 1 120 120 GLN C C 13 175.94 0.2 . 1 . . . . 120 GLN C . 19004 1 527 . 1 1 120 120 GLN CA C 13 57.21 0.2 . 1 . . . . 120 GLN CA . 19004 1 528 . 1 1 120 120 GLN CB C 13 24.36 0.2 . 1 . . . . 120 GLN CB . 19004 1 529 . 1 1 120 120 GLN N N 15 109.04 0.2 . 1 . . . . 120 GLN N . 19004 1 530 . 1 1 121 121 GLY H H 1 8.00 0.04 . 1 . . . . 121 GLY H . 19004 1 531 . 1 1 121 121 GLY C C 13 169.68 0.2 . 1 . . . . 121 GLY C . 19004 1 532 . 1 1 121 121 GLY CA C 13 44.30 0.2 . 1 . . . . 121 GLY CA . 19004 1 533 . 1 1 121 121 GLY N N 15 105.78 0.2 . 1 . . . . 121 GLY N . 19004 1 534 . 1 1 125 125 PRO C C 13 175.94 0.2 . 1 . . . . 125 PRO C . 19004 1 535 . 1 1 125 125 PRO CA C 13 61.79 0.2 . 1 . . . . 125 PRO CA . 19004 1 536 . 1 1 125 125 PRO CB C 13 29.97 0.2 . 1 . . . . 125 PRO CB . 19004 1 537 . 1 1 126 126 TRP C C 13 173.36 0.2 . 1 . . . . 126 TRP C . 19004 1 538 . 1 1 126 126 TRP CA C 13 56.50 0.2 . 1 . . . . 126 TRP CA . 19004 1 539 . 1 1 126 126 TRP CB C 13 31.55 0.2 . 1 . . . . 126 TRP CB . 19004 1 540 . 1 1 127 127 ARG H H 1 7.90 0.04 . 1 . . . . 127 ARG H . 19004 1 541 . 1 1 127 127 ARG C C 13 172.39 0.2 . 1 . . . . 127 ARG C . 19004 1 542 . 1 1 127 127 ARG CA C 13 52.76 0.2 . 1 . . . . 127 ARG CA . 19004 1 543 . 1 1 127 127 ARG CB C 13 33.01 0.2 . 1 . . . . 127 ARG CB . 19004 1 544 . 1 1 127 127 ARG N N 15 126.62 0.2 . 1 . . . . 127 ARG N . 19004 1 545 . 1 1 128 128 CYS H H 1 6.27 0.04 . 1 . . . . 128 CYS H . 19004 1 546 . 1 1 128 128 CYS C C 13 173.30 0.2 . 1 . . . . 128 CYS C . 19004 1 547 . 1 1 128 128 CYS CA C 13 53.50 0.2 . 1 . . . . 128 CYS CA . 19004 1 548 . 1 1 128 128 CYS CB C 13 31.71 0.2 . 1 . . . . 128 CYS CB . 19004 1 549 . 1 1 128 128 CYS N N 15 113.81 0.2 . 1 . . . . 128 CYS N . 19004 1 550 . 1 1 129 129 GLY H H 1 10.06 0.04 . 1 . . . . 129 GLY H . 19004 1 551 . 1 1 129 129 GLY C C 13 175.45 0.2 . 1 . . . . 129 GLY C . 19004 1 552 . 1 1 129 129 GLY CA C 13 44.30 0.2 . 1 . . . . 129 GLY CA . 19004 1 553 . 1 1 129 129 GLY N N 15 107.39 0.2 . 1 . . . . 129 GLY N . 19004 1 554 . 1 1 130 130 ARG H H 1 8.62 0.04 . 1 . . . . 130 ARG H . 19004 1 555 . 1 1 130 130 ARG CA C 13 57.56 0.2 . 1 . . . . 130 ARG CA . 19004 1 556 . 1 1 130 130 ARG CB C 13 24.83 0.2 . 1 . . . . 130 ARG CB . 19004 1 557 . 1 1 130 130 ARG N N 15 123.72 0.2 . 1 . . . . 130 ARG N . 19004 1 558 . 1 1 131 131 VAL C C 13 172.29 0.2 . 1 . . . . 131 VAL C . 19004 1 559 . 1 1 131 131 VAL CA C 13 60.62 0.2 . 1 . . . . 131 VAL CA . 19004 1 560 . 1 1 131 131 VAL CB C 13 33.72 0.2 . 1 . . . . 131 VAL CB . 19004 1 561 . 1 1 132 132 ASP H H 1 8.18 0.04 . 1 . . . . 132 ASP H . 19004 1 562 . 1 1 132 132 ASP C C 13 177.73 0.2 . 1 . . . . 132 ASP C . 19004 1 563 . 1 1 132 132 ASP CA C 13 54.65 0.2 . 1 . . . . 132 ASP CA . 19004 1 564 . 1 1 132 132 ASP CB C 13 38.25 0.2 . 1 . . . . 132 ASP CB . 19004 1 565 . 1 1 132 132 ASP N N 15 124.28 0.2 . 1 . . . . 132 ASP N . 19004 1 566 . 1 1 133 133 THR H H 1 8.73 0.04 . 1 . . . . 133 THR H . 19004 1 567 . 1 1 133 133 THR C C 13 174.15 0.2 . 1 . . . . 133 THR C . 19004 1 568 . 1 1 133 133 THR CA C 13 59.31 0.2 . 1 . . . . 133 THR CA . 19004 1 569 . 1 1 133 133 THR CB C 13 67.84 0.2 . 1 . . . . 133 THR CB . 19004 1 570 . 1 1 133 133 THR N N 15 117.18 0.2 . 1 . . . . 133 THR N . 19004 1 571 . 1 1 134 134 PRO C C 13 177.75 0.2 . 1 . . . . 134 PRO C . 19004 1 572 . 1 1 134 134 PRO CA C 13 62.83 0.2 . 1 . . . . 134 PRO CA . 19004 1 573 . 1 1 134 134 PRO CB C 13 32.17 0.2 . 1 . . . . 134 PRO CB . 19004 1 574 . 1 1 135 135 GLU H H 1 8.75 0.04 . 1 . . . . 135 GLU H . 19004 1 575 . 1 1 135 135 GLU C C 13 178.91 0.2 . 1 . . . . 135 GLU C . 19004 1 576 . 1 1 135 135 GLU CA C 13 59.84 0.2 . 1 . . . . 135 GLU CA . 19004 1 577 . 1 1 135 135 GLU CB C 13 28.35 0.2 . 1 . . . . 135 GLU CB . 19004 1 578 . 1 1 135 135 GLU N N 15 124.47 0.2 . 1 . . . . 135 GLU N . 19004 1 579 . 1 1 136 136 ASP H H 1 8.55 0.04 . 1 . . . . 136 ASP H . 19004 1 580 . 1 1 136 136 ASP C C 13 176.63 0.2 . 1 . . . . 136 ASP C . 19004 1 581 . 1 1 136 136 ASP CA C 13 55.22 0.2 . 1 . . . . 136 ASP CA . 19004 1 582 . 1 1 136 136 ASP CB C 13 38.74 0.2 . 1 . . . . 136 ASP CB . 19004 1 583 . 1 1 136 136 ASP N N 15 118.02 0.2 . 1 . . . . 136 ASP N . 19004 1 584 . 1 1 137 137 THR H H 1 8.07 0.04 . 1 . . . . 137 THR H . 19004 1 585 . 1 1 137 137 THR C C 13 174.67 0.2 . 1 . . . . 137 THR C . 19004 1 586 . 1 1 137 137 THR CA C 13 61.85 0.2 . 1 . . . . 137 THR CA . 19004 1 587 . 1 1 137 137 THR CB C 13 69.69 0.2 . 1 . . . . 137 THR CB . 19004 1 588 . 1 1 137 137 THR N N 15 110.71 0.2 . 1 . . . . 137 THR N . 19004 1 589 . 1 1 138 138 THR H H 1 7.66 0.04 . 1 . . . . 138 THR H . 19004 1 590 . 1 1 138 138 THR C C 13 173.04 0.2 . 1 . . . . 138 THR C . 19004 1 591 . 1 1 138 138 THR CA C 13 61.93 0.2 . 1 . . . . 138 THR CA . 19004 1 592 . 1 1 138 138 THR CB C 13 68.93 0.2 . 1 . . . . 138 THR CB . 19004 1 593 . 1 1 138 138 THR N N 15 124.10 0.2 . 1 . . . . 138 THR N . 19004 1 594 . 1 1 139 139 PRO C C 13 176.20 0.2 . 1 . . . . 139 PRO C . 19004 1 595 . 1 1 139 139 PRO CA C 13 62.20 0.2 . 1 . . . . 139 PRO CA . 19004 1 596 . 1 1 139 139 PRO CB C 13 30.63 0.2 . 1 . . . . 139 PRO CB . 19004 1 597 . 1 1 140 140 ASP H H 1 8.41 0.04 . 1 . . . . 140 ASP H . 19004 1 598 . 1 1 140 140 ASP C C 13 176.23 0.2 . 1 . . . . 140 ASP C . 19004 1 599 . 1 1 140 140 ASP CA C 13 54.33 0.2 . 1 . . . . 140 ASP CA . 19004 1 600 . 1 1 140 140 ASP CB C 13 40.14 0.2 . 1 . . . . 140 ASP CB . 19004 1 601 . 1 1 140 140 ASP N N 15 120.20 0.2 . 1 . . . . 140 ASP N . 19004 1 602 . 1 1 141 141 ASN H H 1 8.89 0.04 . 1 . . . . 141 ASN H . 19004 1 603 . 1 1 141 141 ASN C C 13 175.13 0.2 . 1 . . . . 141 ASN C . 19004 1 604 . 1 1 141 141 ASN CA C 13 53.61 0.2 . 1 . . . . 141 ASN CA . 19004 1 605 . 1 1 141 141 ASN CB C 13 39.02 0.2 . 1 . . . . 141 ASN CB . 19004 1 606 . 1 1 141 141 ASN N N 15 117.79 0.2 . 1 . . . . 141 ASN N . 19004 1 607 . 1 1 142 142 GLY H H 1 8.60 0.04 . 1 . . . . 142 GLY H . 19004 1 608 . 1 1 142 142 GLY C C 13 176.33 0.2 . 1 . . . . 142 GLY C . 19004 1 609 . 1 1 142 142 GLY CA C 13 45.20 0.2 . 1 . . . . 142 GLY CA . 19004 1 610 . 1 1 142 142 GLY N N 15 111.06 0.2 . 1 . . . . 142 GLY N . 19004 1 611 . 1 1 143 143 ARG H H 1 9.22 0.04 . 1 . . . . 143 ARG H . 19004 1 612 . 1 1 143 143 ARG C C 13 176.31 0.2 . 1 . . . . 143 ARG C . 19004 1 613 . 1 1 143 143 ARG CA C 13 56.31 0.2 . 1 . . . . 143 ARG CA . 19004 1 614 . 1 1 143 143 ARG CB C 13 30.01 0.2 . 1 . . . . 143 ARG CB . 19004 1 615 . 1 1 143 143 ARG N N 15 120.33 0.2 . 1 . . . . 143 ARG N . 19004 1 616 . 1 1 144 144 LEU H H 1 8.17 0.04 . 1 . . . . 144 LEU H . 19004 1 617 . 1 1 144 144 LEU C C 13 175.51 0.2 . 1 . . . . 144 LEU C . 19004 1 618 . 1 1 144 144 LEU CA C 13 52.07 0.2 . 1 . . . . 144 LEU CA . 19004 1 619 . 1 1 144 144 LEU CB C 13 38.11 0.2 . 1 . . . . 144 LEU CB . 19004 1 620 . 1 1 144 144 LEU N N 15 121.62 0.2 . 1 . . . . 144 LEU N . 19004 1 621 . 1 1 145 145 PRO C C 13 175.95 0.2 . 1 . . . . 145 PRO C . 19004 1 622 . 1 1 145 145 PRO CA C 13 62.63 0.2 . 1 . . . . 145 PRO CA . 19004 1 623 . 1 1 145 145 PRO CB C 13 28.91 0.2 . 1 . . . . 145 PRO CB . 19004 1 624 . 1 1 146 146 ASP H H 1 7.54 0.04 . 1 . . . . 146 ASP H . 19004 1 625 . 1 1 146 146 ASP C C 13 172.96 0.2 . 1 . . . . 146 ASP C . 19004 1 626 . 1 1 146 146 ASP CA C 13 52.78 0.2 . 1 . . . . 146 ASP CA . 19004 1 627 . 1 1 146 146 ASP CB C 13 42.48 0.2 . 1 . . . . 146 ASP CB . 19004 1 628 . 1 1 146 146 ASP N N 15 121.12 0.2 . 1 . . . . 146 ASP N . 19004 1 629 . 1 1 147 147 ALA H H 1 7.56 0.04 . 1 . . . . 147 ALA H . 19004 1 630 . 1 1 147 147 ALA C C 13 176.53 0.2 . 1 . . . . 147 ALA C . 19004 1 631 . 1 1 147 147 ALA CA C 13 50.83 0.2 . 1 . . . . 147 ALA CA . 19004 1 632 . 1 1 147 147 ALA CB C 13 20.41 0.2 . 1 . . . . 147 ALA CB . 19004 1 633 . 1 1 147 147 ALA N N 15 116.25 0.2 . 1 . . . . 147 ALA N . 19004 1 634 . 1 1 148 148 ASP H H 1 8.01 0.04 . 1 . . . . 148 ASP H . 19004 1 635 . 1 1 148 148 ASP C C 13 176.04 0.2 . 1 . . . . 148 ASP C . 19004 1 636 . 1 1 148 148 ASP CA C 13 52.17 0.2 . 1 . . . . 148 ASP CA . 19004 1 637 . 1 1 148 148 ASP CB C 13 38.70 0.2 . 1 . . . . 148 ASP CB . 19004 1 638 . 1 1 148 148 ASP N N 15 115.69 0.2 . 1 . . . . 148 ASP N . 19004 1 639 . 1 1 149 149 LYS H H 1 5.79 0.04 . 1 . . . . 149 LYS H . 19004 1 640 . 1 1 149 149 LYS C C 13 172.49 0.2 . 1 . . . . 149 LYS C . 19004 1 641 . 1 1 149 149 LYS CA C 13 53.12 0.2 . 1 . . . . 149 LYS CA . 19004 1 642 . 1 1 149 149 LYS CB C 13 34.69 0.2 . 1 . . . . 149 LYS CB . 19004 1 643 . 1 1 149 149 LYS N N 15 118.15 0.2 . 1 . . . . 149 LYS N . 19004 1 644 . 1 1 150 150 ASP H H 1 6.81 0.04 . 1 . . . . 150 ASP H . 19004 1 645 . 1 1 150 150 ASP C C 13 176.24 0.2 . 1 . . . . 150 ASP C . 19004 1 646 . 1 1 150 150 ASP CA C 13 51.08 0.2 . 1 . . . . 150 ASP CA . 19004 1 647 . 1 1 150 150 ASP CB C 13 42.25 0.2 . 1 . . . . 150 ASP CB . 19004 1 648 . 1 1 150 150 ASP N N 15 115.97 0.2 . 1 . . . . 150 ASP N . 19004 1 649 . 1 1 151 151 ALA H H 1 8.39 0.04 . 1 . . . . 151 ALA H . 19004 1 650 . 1 1 151 151 ALA C C 13 179.08 0.2 . 1 . . . . 151 ALA C . 19004 1 651 . 1 1 151 151 ALA CA C 13 55.02 0.2 . 1 . . . . 151 ALA CA . 19004 1 652 . 1 1 151 151 ALA CB C 13 18.69 0.2 . 1 . . . . 151 ALA CB . 19004 1 653 . 1 1 151 151 ALA N N 15 119.76 0.2 . 1 . . . . 151 ALA N . 19004 1 654 . 1 1 152 152 ASP H H 1 7.65 0.04 . 1 . . . . 152 ASP H . 19004 1 655 . 1 1 152 152 ASP C C 13 178.99 0.2 . 1 . . . . 152 ASP C . 19004 1 656 . 1 1 152 152 ASP CA C 13 56.67 0.2 . 1 . . . . 152 ASP CA . 19004 1 657 . 1 1 152 152 ASP CB C 13 39.92 0.2 . 1 . . . . 152 ASP CB . 19004 1 658 . 1 1 152 152 ASP N N 15 115.44 0.2 . 1 . . . . 152 ASP N . 19004 1 659 . 1 1 153 153 TYR H H 1 7.69 0.04 . 1 . . . . 153 TYR H . 19004 1 660 . 1 1 153 153 TYR C C 13 176.86 0.2 . 1 . . . . 153 TYR C . 19004 1 661 . 1 1 153 153 TYR CA C 13 60.95 0.2 . 1 . . . . 153 TYR CA . 19004 1 662 . 1 1 153 153 TYR CB C 13 37.18 0.2 . 1 . . . . 153 TYR CB . 19004 1 663 . 1 1 153 153 TYR N N 15 121.80 0.2 . 1 . . . . 153 TYR N . 19004 1 664 . 1 1 154 154 VAL H H 1 7.91 0.04 . 1 . . . . 154 VAL H . 19004 1 665 . 1 1 154 154 VAL C C 13 176.90 0.2 . 1 . . . . 154 VAL C . 19004 1 666 . 1 1 154 154 VAL CA C 13 67.24 0.2 . 1 . . . . 154 VAL CA . 19004 1 667 . 1 1 154 154 VAL CB C 13 30.83 0.2 . 1 . . . . 154 VAL CB . 19004 1 668 . 1 1 154 154 VAL N N 15 122.74 0.2 . 1 . . . . 154 VAL N . 19004 1 669 . 1 1 155 155 ARG H H 1 8.56 0.04 . 1 . . . . 155 ARG H . 19004 1 670 . 1 1 155 155 ARG C C 13 180.32 0.2 . 1 . . . . 155 ARG C . 19004 1 671 . 1 1 155 155 ARG CA C 13 59.74 0.2 . 1 . . . . 155 ARG CA . 19004 1 672 . 1 1 155 155 ARG CB C 13 28.72 0.2 . 1 . . . . 155 ARG CB . 19004 1 673 . 1 1 155 155 ARG N N 15 121.36 0.2 . 1 . . . . 155 ARG N . 19004 1 674 . 1 1 156 156 THR H H 1 7.93 0.04 . 1 . . . . 156 THR H . 19004 1 675 . 1 1 156 156 THR C C 13 176.90 0.2 . 1 . . . . 156 THR C . 19004 1 676 . 1 1 156 156 THR CA C 13 65.93 0.2 . 1 . . . . 156 THR CA . 19004 1 677 . 1 1 156 156 THR CB C 13 68.21 0.2 . 1 . . . . 156 THR CB . 19004 1 678 . 1 1 156 156 THR N N 15 115.86 0.2 . 1 . . . . 156 THR N . 19004 1 679 . 1 1 157 157 PHE H H 1 8.75 0.04 . 1 . . . . 157 PHE H . 19004 1 680 . 1 1 157 157 PHE C C 13 177.67 0.2 . 1 . . . . 157 PHE C . 19004 1 681 . 1 1 157 157 PHE CA C 13 61.14 0.2 . 1 . . . . 157 PHE CA . 19004 1 682 . 1 1 157 157 PHE CB C 13 37.30 0.2 . 1 . . . . 157 PHE CB . 19004 1 683 . 1 1 157 157 PHE N N 15 125.88 0.2 . 1 . . . . 157 PHE N . 19004 1 684 . 1 1 158 158 PHE H H 1 7.93 0.04 . 1 . . . . 158 PHE H . 19004 1 685 . 1 1 158 158 PHE C C 13 179.06 0.2 . 1 . . . . 158 PHE C . 19004 1 686 . 1 1 158 158 PHE CA C 13 61.67 0.2 . 1 . . . . 158 PHE CA . 19004 1 687 . 1 1 158 158 PHE CB C 13 38.72 0.2 . 1 . . . . 158 PHE CB . 19004 1 688 . 1 1 158 158 PHE N N 15 114.19 0.2 . 1 . . . . 158 PHE N . 19004 1 689 . 1 1 159 159 GLN H H 1 7.53 0.04 . 1 . . . . 159 GLN H . 19004 1 690 . 1 1 159 159 GLN C C 13 180.09 0.2 . 1 . . . . 159 GLN C . 19004 1 691 . 1 1 159 159 GLN CA C 13 58.77 0.2 . 1 . . . . 159 GLN CA . 19004 1 692 . 1 1 159 159 GLN CB C 13 26.67 0.2 . 1 . . . . 159 GLN CB . 19004 1 693 . 1 1 159 159 GLN N N 15 121.74 0.2 . 1 . . . . 159 GLN N . 19004 1 694 . 1 1 160 160 ARG H H 1 7.25 0.04 . 1 . . . . 160 ARG H . 19004 1 695 . 1 1 160 160 ARG C C 13 174.78 0.2 . 1 . . . . 160 ARG C . 19004 1 696 . 1 1 160 160 ARG CA C 13 57.80 0.2 . 1 . . . . 160 ARG CA . 19004 1 697 . 1 1 160 160 ARG CB C 13 29.40 0.2 . 1 . . . . 160 ARG CB . 19004 1 698 . 1 1 160 160 ARG N N 15 123.57 0.2 . 1 . . . . 160 ARG N . 19004 1 699 . 1 1 161 161 LEU H H 1 6.43 0.04 . 1 . . . . 161 LEU H . 19004 1 700 . 1 1 161 161 LEU C C 13 175.53 0.2 . 1 . . . . 161 LEU C . 19004 1 701 . 1 1 161 161 LEU CA C 13 53.23 0.2 . 1 . . . . 161 LEU CA . 19004 1 702 . 1 1 161 161 LEU CB C 13 42.47 0.2 . 1 . . . . 161 LEU CB . 19004 1 703 . 1 1 161 161 LEU N N 15 112.22 0.2 . 1 . . . . 161 LEU N . 19004 1 704 . 1 1 162 162 ASN H H 1 7.76 0.04 . 1 . . . . 162 ASN H . 19004 1 705 . 1 1 162 162 ASN C C 13 173.99 0.2 . 1 . . . . 162 ASN C . 19004 1 706 . 1 1 162 162 ASN CA C 13 53.20 0.2 . 1 . . . . 162 ASN CA . 19004 1 707 . 1 1 162 162 ASN CB C 13 37.25 0.2 . 1 . . . . 162 ASN CB . 19004 1 708 . 1 1 162 162 ASN N N 15 113.41 0.2 . 1 . . . . 162 ASN N . 19004 1 709 . 1 1 163 163 MET H H 1 7.33 0.04 . 1 . . . . 163 MET H . 19004 1 710 . 1 1 163 163 MET C C 13 176.27 0.2 . 1 . . . . 163 MET C . 19004 1 711 . 1 1 163 163 MET CA C 13 52.41 0.2 . 1 . . . . 163 MET CA . 19004 1 712 . 1 1 163 163 MET CB C 13 32.67 0.2 . 1 . . . . 163 MET CB . 19004 1 713 . 1 1 163 163 MET N N 15 114.04 0.2 . 1 . . . . 163 MET N . 19004 1 714 . 1 1 164 164 ASN H H 1 9.85 0.04 . 1 . . . . 164 ASN H . 19004 1 715 . 1 1 164 164 ASN C C 13 174.38 0.2 . 1 . . . . 164 ASN C . 19004 1 716 . 1 1 164 164 ASN CA C 13 50.33 0.2 . 1 . . . . 164 ASN CA . 19004 1 717 . 1 1 164 164 ASN CB C 13 38.42 0.2 . 1 . . . . 164 ASN CB . 19004 1 718 . 1 1 164 164 ASN N N 15 126.37 0.2 . 1 . . . . 164 ASN N . 19004 1 719 . 1 1 165 165 ASP H H 1 7.99 0.04 . 1 . . . . 165 ASP H . 19004 1 720 . 1 1 165 165 ASP C C 13 176.87 0.2 . 1 . . . . 165 ASP C . 19004 1 721 . 1 1 165 165 ASP CA C 13 57.48 0.2 . 1 . . . . 165 ASP CA . 19004 1 722 . 1 1 165 165 ASP CB C 13 40.15 0.2 . 1 . . . . 165 ASP CB . 19004 1 723 . 1 1 165 165 ASP N N 15 114.70 0.2 . 1 . . . . 165 ASP N . 19004 1 724 . 1 1 166 166 ARG H H 1 7.64 0.04 . 1 . . . . 166 ARG H . 19004 1 725 . 1 1 166 166 ARG C C 13 177.30 0.2 . 1 . . . . 166 ARG C . 19004 1 726 . 1 1 166 166 ARG CA C 13 60.06 0.2 . 1 . . . . 166 ARG CA . 19004 1 727 . 1 1 166 166 ARG CB C 13 29.39 0.2 . 1 . . . . 166 ARG CB . 19004 1 728 . 1 1 166 166 ARG N N 15 117.96 0.2 . 1 . . . . 166 ARG N . 19004 1 729 . 1 1 167 167 GLU H H 1 7.78 0.04 . 1 . . . . 167 GLU H . 19004 1 730 . 1 1 167 167 GLU C C 13 177.96 0.2 . 1 . . . . 167 GLU C . 19004 1 731 . 1 1 167 167 GLU CA C 13 59.08 0.2 . 1 . . . . 167 GLU CA . 19004 1 732 . 1 1 167 167 GLU CB C 13 29.63 0.2 . 1 . . . . 167 GLU CB . 19004 1 733 . 1 1 167 167 GLU N N 15 117.54 0.2 . 1 . . . . 167 GLU N . 19004 1 734 . 1 1 168 168 VAL H H 1 8.20 0.04 . 1 . . . . 168 VAL H . 19004 1 735 . 1 1 168 168 VAL C C 13 177.23 0.2 . 1 . . . . 168 VAL C . 19004 1 736 . 1 1 168 168 VAL CA C 13 66.94 0.2 . 1 . . . . 168 VAL CA . 19004 1 737 . 1 1 168 168 VAL CB C 13 30.36 0.2 . 1 . . . . 168 VAL CB . 19004 1 738 . 1 1 168 168 VAL N N 15 118.07 0.2 . 1 . . . . 168 VAL N . 19004 1 739 . 1 1 169 169 VAL H H 1 8.09 0.04 . 1 . . . . 169 VAL H . 19004 1 740 . 1 1 169 169 VAL C C 13 180.45 0.2 . 1 . . . . 169 VAL C . 19004 1 741 . 1 1 169 169 VAL CA C 13 67.08 0.2 . 1 . . . . 169 VAL CA . 19004 1 742 . 1 1 169 169 VAL CB C 13 31.21 0.2 . 1 . . . . 169 VAL CB . 19004 1 743 . 1 1 169 169 VAL N N 15 117.28 0.2 . 1 . . . . 169 VAL N . 19004 1 744 . 1 1 170 170 ALA H H 1 9.11 0.04 . 1 . . . . 170 ALA H . 19004 1 745 . 1 1 170 170 ALA C C 13 180.15 0.2 . 1 . . . . 170 ALA C . 19004 1 746 . 1 1 170 170 ALA CA C 13 55.66 0.2 . 1 . . . . 170 ALA CA . 19004 1 747 . 1 1 170 170 ALA CB C 13 16.15 0.2 . 1 . . . . 170 ALA CB . 19004 1 748 . 1 1 170 170 ALA N N 15 123.38 0.2 . 1 . . . . 170 ALA N . 19004 1 749 . 1 1 171 171 LEU H H 1 8.75 0.04 . 1 . . . . 171 LEU H . 19004 1 750 . 1 1 171 171 LEU C C 13 179.89 0.2 . 1 . . . . 171 LEU C . 19004 1 751 . 1 1 171 171 LEU CA C 13 58.42 0.2 . 1 . . . . 171 LEU CA . 19004 1 752 . 1 1 171 171 LEU CB C 13 41.31 0.2 . 1 . . . . 171 LEU CB . 19004 1 753 . 1 1 171 171 LEU N N 15 118.03 0.2 . 1 . . . . 171 LEU N . 19004 1 754 . 1 1 172 172 MET H H 1 8.67 0.04 . 1 . . . . 172 MET H . 19004 1 755 . 1 1 172 172 MET C C 13 179.39 0.2 . 1 . . . . 172 MET C . 19004 1 756 . 1 1 172 172 MET CA C 13 58.36 0.2 . 1 . . . . 172 MET CA . 19004 1 757 . 1 1 172 172 MET CB C 13 32.16 0.2 . 1 . . . . 172 MET CB . 19004 1 758 . 1 1 172 172 MET N N 15 118.71 0.2 . 1 . . . . 172 MET N . 19004 1 759 . 1 1 173 173 GLY H H 1 8.96 0.04 . 1 . . . . 173 GLY H . 19004 1 760 . 1 1 173 173 GLY C C 13 177.71 0.2 . 1 . . . . 173 GLY C . 19004 1 761 . 1 1 173 173 GLY CA C 13 47.31 0.2 . 1 . . . . 173 GLY CA . 19004 1 762 . 1 1 173 173 GLY N N 15 105.14 0.2 . 1 . . . . 173 GLY N . 19004 1 763 . 1 1 174 174 ALA H H 1 10.10 0.04 . 1 . . . . 174 ALA H . 19004 1 764 . 1 1 174 174 ALA CA C 13 55.49 0.2 . 1 . . . . 174 ALA CA . 19004 1 765 . 1 1 174 174 ALA CB C 13 20.83 0.2 . 1 . . . . 174 ALA CB . 19004 1 766 . 1 1 174 174 ALA N N 15 124.11 0.2 . 1 . . . . 174 ALA N . 19004 1 767 . 1 1 175 175 HIS C C 13 172.84 0.2 . 1 . . . . 175 HIS C . 19004 1 768 . 1 1 175 175 HIS CA C 13 59.16 0.2 . 1 . . . . 175 HIS CA . 19004 1 769 . 1 1 176 176 ALA H H 1 8.52 0.04 . 1 . . . . 176 ALA H . 19004 1 770 . 1 1 176 176 ALA C C 13 179.61 0.2 . 1 . . . . 176 ALA C . 19004 1 771 . 1 1 176 176 ALA CA C 13 54.94 0.2 . 1 . . . . 176 ALA CA . 19004 1 772 . 1 1 176 176 ALA CB C 13 18.47 0.2 . 1 . . . . 176 ALA CB . 19004 1 773 . 1 1 176 176 ALA N N 15 116.71 0.2 . 1 . . . . 176 ALA N . 19004 1 774 . 1 1 177 177 LEU H H 1 8.30 0.04 . 1 . . . . 177 LEU H . 19004 1 775 . 1 1 177 177 LEU C C 13 173.59 0.2 . 1 . . . . 177 LEU C . 19004 1 776 . 1 1 177 177 LEU CA C 13 51.60 0.2 . 1 . . . . 177 LEU CA . 19004 1 777 . 1 1 177 177 LEU N N 15 116.84 0.2 . 1 . . . . 177 LEU N . 19004 1 778 . 1 1 178 178 GLY H H 1 8.25 0.04 . 1 . . . . 178 GLY H . 19004 1 779 . 1 1 178 178 GLY C C 13 173.53 0.2 . 1 . . . . 178 GLY C . 19004 1 780 . 1 1 178 178 GLY CA C 13 43.76 0.2 . 1 . . . . 178 GLY CA . 19004 1 781 . 1 1 178 178 GLY N N 15 100.75 0.2 . 1 . . . . 178 GLY N . 19004 1 782 . 1 1 179 179 LYS H H 1 7.11 0.04 . 1 . . . . 179 LYS H . 19004 1 783 . 1 1 179 179 LYS C C 13 171.20 0.2 . 1 . . . . 179 LYS C . 19004 1 784 . 1 1 179 179 LYS CA C 13 54.15 0.2 . 1 . . . . 179 LYS CA . 19004 1 785 . 1 1 179 179 LYS CB C 13 30.55 0.2 . 1 . . . . 179 LYS CB . 19004 1 786 . 1 1 179 179 LYS N N 15 116.50 0.2 . 1 . . . . 179 LYS N . 19004 1 787 . 1 1 180 180 THR H H 1 6.14 0.04 . 1 . . . . 180 THR H . 19004 1 788 . 1 1 180 180 THR C C 13 175.92 0.2 . 1 . . . . 180 THR C . 19004 1 789 . 1 1 180 180 THR CA C 13 59.13 0.2 . 1 . . . . 180 THR CA . 19004 1 790 . 1 1 180 180 THR CB C 13 68.88 0.2 . 1 . . . . 180 THR CB . 19004 1 791 . 1 1 180 180 THR N N 15 104.56 0.2 . 1 . . . . 180 THR N . 19004 1 792 . 1 1 181 181 HIS H H 1 9.44 0.04 . 1 . . . . 181 HIS H . 19004 1 793 . 1 1 181 181 HIS C C 13 176.99 0.2 . 1 . . . . 181 HIS C . 19004 1 794 . 1 1 181 181 HIS CA C 13 54.01 0.2 . 1 . . . . 181 HIS CA . 19004 1 795 . 1 1 181 181 HIS CB C 13 29.27 0.2 . 1 . . . . 181 HIS CB . 19004 1 796 . 1 1 181 181 HIS N N 15 123.63 0.2 . 1 . . . . 181 HIS N . 19004 1 797 . 1 1 182 182 LEU H H 1 8.66 0.04 . 1 . . . . 182 LEU H . 19004 1 798 . 1 1 182 182 LEU C C 13 180.71 0.2 . 1 . . . . 182 LEU C . 19004 1 799 . 1 1 182 182 LEU CA C 13 59.34 0.2 . 1 . . . . 182 LEU CA . 19004 1 800 . 1 1 182 182 LEU CB C 13 41.85 0.2 . 1 . . . . 182 LEU CB . 19004 1 801 . 1 1 182 182 LEU N N 15 131.88 0.2 . 1 . . . . 182 LEU N . 19004 1 802 . 1 1 183 183 LYS H H 1 8.79 0.04 . 1 . . . . 183 LYS H . 19004 1 803 . 1 1 183 183 LYS C C 13 177.25 0.2 . 1 . . . . 183 LYS C . 19004 1 804 . 1 1 183 183 LYS CA C 13 57.55 0.2 . 1 . . . . 183 LYS CA . 19004 1 805 . 1 1 183 183 LYS CB C 13 31.10 0.2 . 1 . . . . 183 LYS CB . 19004 1 806 . 1 1 183 183 LYS N N 15 114.23 0.2 . 1 . . . . 183 LYS N . 19004 1 807 . 1 1 184 184 ASN H H 1 7.99 0.04 . 1 . . . . 184 ASN H . 19004 1 808 . 1 1 184 184 ASN C C 13 176.67 0.2 . 1 . . . . 184 ASN C . 19004 1 809 . 1 1 184 184 ASN CA C 13 54.07 0.2 . 1 . . . . 184 ASN CA . 19004 1 810 . 1 1 184 184 ASN CB C 13 38.21 0.2 . 1 . . . . 184 ASN CB . 19004 1 811 . 1 1 184 184 ASN N N 15 116.08 0.2 . 1 . . . . 184 ASN N . 19004 1 812 . 1 1 185 185 SER H H 1 8.19 0.04 . 1 . . . . 185 SER H . 19004 1 813 . 1 1 185 185 SER C C 13 175.95 0.2 . 1 . . . . 185 SER C . 19004 1 814 . 1 1 185 185 SER CA C 13 58.82 0.2 . 1 . . . . 185 SER CA . 19004 1 815 . 1 1 185 185 SER CB C 13 67.32 0.2 . 1 . . . . 185 SER CB . 19004 1 816 . 1 1 185 185 SER N N 15 110.05 0.2 . 1 . . . . 185 SER N . 19004 1 817 . 1 1 186 186 GLY H H 1 8.41 0.04 . 1 . . . . 186 GLY H . 19004 1 818 . 1 1 186 186 GLY C C 13 171.54 0.2 . 1 . . . . 186 GLY C . 19004 1 819 . 1 1 186 186 GLY CA C 13 44.96 0.2 . 1 . . . . 186 GLY CA . 19004 1 820 . 1 1 186 186 GLY N N 15 110.84 0.2 . 1 . . . . 186 GLY N . 19004 1 821 . 1 1 187 187 TYR H H 1 7.37 0.04 . 1 . . . . 187 TYR H . 19004 1 822 . 1 1 187 187 TYR C C 13 170.53 0.2 . 1 . . . . 187 TYR C . 19004 1 823 . 1 1 187 187 TYR CA C 13 57.85 0.2 . 1 . . . . 187 TYR CA . 19004 1 824 . 1 1 187 187 TYR CB C 13 39.52 0.2 . 1 . . . . 187 TYR CB . 19004 1 825 . 1 1 187 187 TYR N N 15 119.55 0.2 . 1 . . . . 187 TYR N . 19004 1 826 . 1 1 188 188 GLU H H 1 7.51 0.04 . 1 . . . . 188 GLU H . 19004 1 827 . 1 1 188 188 GLU C C 13 175.98 0.2 . 1 . . . . 188 GLU C . 19004 1 828 . 1 1 188 188 GLU CA C 13 54.57 0.2 . 1 . . . . 188 GLU CA . 19004 1 829 . 1 1 188 188 GLU CB C 13 32.75 0.2 . 1 . . . . 188 GLU CB . 19004 1 830 . 1 1 188 188 GLU N N 15 117.82 0.2 . 1 . . . . 188 GLU N . 19004 1 831 . 1 1 189 189 GLY H H 1 6.70 0.04 . 1 . . . . 189 GLY H . 19004 1 832 . 1 1 189 189 GLY CA C 13 42.55 0.2 . 1 . . . . 189 GLY CA . 19004 1 833 . 1 1 189 189 GLY N N 15 117.68 0.2 . 1 . . . . 189 GLY N . 19004 1 834 . 1 1 190 190 PRO C C 13 174.48 0.2 . 1 . . . . 190 PRO C . 19004 1 835 . 1 1 191 191 TRP H H 1 7.73 0.04 . 1 . . . . 191 TRP H . 19004 1 836 . 1 1 191 191 TRP C C 13 177.48 0.2 . 1 . . . . 191 TRP C . 19004 1 837 . 1 1 191 191 TRP CA C 13 61.76 0.2 . 1 . . . . 191 TRP CA . 19004 1 838 . 1 1 191 191 TRP CB C 13 31.46 0.2 . 1 . . . . 191 TRP CB . 19004 1 839 . 1 1 191 191 TRP N N 15 122.00 0.2 . 1 . . . . 191 TRP N . 19004 1 840 . 1 1 192 192 GLY H H 1 7.26 0.04 . 1 . . . . 192 GLY H . 19004 1 841 . 1 1 192 192 GLY C C 13 172.41 0.2 . 1 . . . . 192 GLY C . 19004 1 842 . 1 1 192 192 GLY CA C 13 44.66 0.2 . 1 . . . . 192 GLY CA . 19004 1 843 . 1 1 192 192 GLY N N 15 102.74 0.2 . 1 . . . . 192 GLY N . 19004 1 844 . 1 1 193 193 ALA H H 1 9.70 0.04 . 1 . . . . 193 ALA H . 19004 1 845 . 1 1 193 193 ALA C C 13 179.05 0.2 . 1 . . . . 193 ALA C . 19004 1 846 . 1 1 193 193 ALA CA C 13 52.65 0.2 . 1 . . . . 193 ALA CA . 19004 1 847 . 1 1 193 193 ALA CB C 13 19.72 0.2 . 1 . . . . 193 ALA CB . 19004 1 848 . 1 1 193 193 ALA N N 15 122.89 0.2 . 1 . . . . 193 ALA N . 19004 1 849 . 1 1 194 194 ALA H H 1 8.56 0.04 . 1 . . . . 194 ALA H . 19004 1 850 . 1 1 194 194 ALA C C 13 177.56 0.2 . 1 . . . . 194 ALA C . 19004 1 851 . 1 1 194 194 ALA CA C 13 51.13 0.2 . 1 . . . . 194 ALA CA . 19004 1 852 . 1 1 194 194 ALA CB C 13 16.77 0.2 . 1 . . . . 194 ALA CB . 19004 1 853 . 1 1 194 194 ALA N N 15 124.70 0.2 . 1 . . . . 194 ALA N . 19004 1 854 . 1 1 195 195 ASN H H 1 8.04 0.04 . 1 . . . . 195 ASN H . 19004 1 855 . 1 1 195 195 ASN C C 13 175.40 0.2 . 1 . . . . 195 ASN C . 19004 1 856 . 1 1 195 195 ASN CA C 13 54.23 0.2 . 1 . . . . 195 ASN CA . 19004 1 857 . 1 1 195 195 ASN CB C 13 38.00 0.2 . 1 . . . . 195 ASN CB . 19004 1 858 . 1 1 195 195 ASN N N 15 113.71 0.2 . 1 . . . . 195 ASN N . 19004 1 859 . 1 1 196 196 ASN H H 1 7.79 0.04 . 1 . . . . 196 ASN H . 19004 1 860 . 1 1 196 196 ASN C C 13 173.21 0.2 . 1 . . . . 196 ASN C . 19004 1 861 . 1 1 196 196 ASN CA C 13 51.27 0.2 . 1 . . . . 196 ASN CA . 19004 1 862 . 1 1 196 196 ASN CB C 13 36.34 0.2 . 1 . . . . 196 ASN CB . 19004 1 863 . 1 1 196 196 ASN N N 15 114.97 0.2 . 1 . . . . 196 ASN N . 19004 1 864 . 1 1 197 197 VAL H H 1 7.24 0.04 . 1 . . . . 197 VAL H . 19004 1 865 . 1 1 197 197 VAL C C 13 173.63 0.2 . 1 . . . . 197 VAL C . 19004 1 866 . 1 1 197 197 VAL CA C 13 60.58 0.2 . 1 . . . . 197 VAL CA . 19004 1 867 . 1 1 197 197 VAL CB C 13 33.98 0.2 . 1 . . . . 197 VAL CB . 19004 1 868 . 1 1 197 197 VAL N N 15 116.92 0.2 . 1 . . . . 197 VAL N . 19004 1 869 . 1 1 198 198 PHE H H 1 9.02 0.04 . 1 . . . . 198 PHE H . 19004 1 870 . 1 1 198 198 PHE C C 13 173.60 0.2 . 1 . . . . 198 PHE C . 19004 1 871 . 1 1 198 198 PHE CA C 13 59.02 0.2 . 1 . . . . 198 PHE CA . 19004 1 872 . 1 1 198 198 PHE CB C 13 38.68 0.2 . 1 . . . . 198 PHE CB . 19004 1 873 . 1 1 198 198 PHE N N 15 128.70 0.2 . 1 . . . . 198 PHE N . 19004 1 874 . 1 1 199 199 THR H H 1 7.00 0.04 . 1 . . . . 199 THR H . 19004 1 875 . 1 1 199 199 THR C C 13 173.59 0.2 . 1 . . . . 199 THR C . 19004 1 876 . 1 1 199 199 THR CA C 13 60.29 0.2 . 1 . . . . 199 THR CA . 19004 1 877 . 1 1 199 199 THR CB C 13 73.02 0.2 . 1 . . . . 199 THR CB . 19004 1 878 . 1 1 199 199 THR N N 15 117.88 0.2 . 1 . . . . 199 THR N . 19004 1 879 . 1 1 200 200 ASN H H 1 9.01 0.04 . 1 . . . . 200 ASN H . 19004 1 880 . 1 1 200 200 ASN C C 13 176.32 0.2 . 1 . . . . 200 ASN C . 19004 1 881 . 1 1 200 200 ASN CA C 13 53.01 0.2 . 1 . . . . 200 ASN CA . 19004 1 882 . 1 1 200 200 ASN CB C 13 37.06 0.2 . 1 . . . . 200 ASN CB . 19004 1 883 . 1 1 200 200 ASN N N 15 116.80 0.2 . 1 . . . . 200 ASN N . 19004 1 884 . 1 1 201 201 GLU H H 1 8.78 0.04 . 1 . . . . 201 GLU H . 19004 1 885 . 1 1 201 201 GLU C C 13 176.48 0.2 . 1 . . . . 201 GLU C . 19004 1 886 . 1 1 201 201 GLU CA C 13 59.89 0.2 . 1 . . . . 201 GLU CA . 19004 1 887 . 1 1 201 201 GLU CB C 13 28.95 0.2 . 1 . . . . 201 GLU CB . 19004 1 888 . 1 1 201 201 GLU N N 15 120.10 0.2 . 1 . . . . 201 GLU N . 19004 1 889 . 1 1 202 202 PHE H H 1 8.46 0.04 . 1 . . . . 202 PHE H . 19004 1 890 . 1 1 202 202 PHE C C 13 176.16 0.2 . 1 . . . . 202 PHE C . 19004 1 891 . 1 1 202 202 PHE CA C 13 62.48 0.2 . 1 . . . . 202 PHE CA . 19004 1 892 . 1 1 202 202 PHE CB C 13 39.98 0.2 . 1 . . . . 202 PHE CB . 19004 1 893 . 1 1 202 202 PHE N N 15 118.61 0.2 . 1 . . . . 202 PHE N . 19004 1 894 . 1 1 203 203 TYR H H 1 6.95 0.04 . 1 . . . . 203 TYR H . 19004 1 895 . 1 1 203 203 TYR C C 13 178.27 0.2 . 1 . . . . 203 TYR C . 19004 1 896 . 1 1 203 203 TYR CA C 13 59.93 0.2 . 1 . . . . 203 TYR CA . 19004 1 897 . 1 1 203 203 TYR CB C 13 37.34 0.2 . 1 . . . . 203 TYR CB . 19004 1 898 . 1 1 203 203 TYR N N 15 115.74 0.2 . 1 . . . . 203 TYR N . 19004 1 899 . 1 1 204 204 LEU H H 1 7.28 0.04 . 1 . . . . 204 LEU H . 19004 1 900 . 1 1 204 204 LEU C C 13 179.27 0.2 . 1 . . . . 204 LEU C . 19004 1 901 . 1 1 204 204 LEU CA C 13 57.72 0.2 . 1 . . . . 204 LEU CA . 19004 1 902 . 1 1 204 204 LEU CB C 13 41.01 0.2 . 1 . . . . 204 LEU CB . 19004 1 903 . 1 1 204 204 LEU N N 15 116.75 0.2 . 1 . . . . 204 LEU N . 19004 1 904 . 1 1 205 205 ASN H H 1 9.12 0.04 . 1 . . . . 205 ASN H . 19004 1 905 . 1 1 205 205 ASN C C 13 178.66 0.2 . 1 . . . . 205 ASN C . 19004 1 906 . 1 1 205 205 ASN CA C 13 55.32 0.2 . 1 . . . . 205 ASN CA . 19004 1 907 . 1 1 205 205 ASN CB C 13 35.12 0.2 . 1 . . . . 205 ASN CB . 19004 1 908 . 1 1 205 205 ASN N N 15 119.47 0.2 . 1 . . . . 205 ASN N . 19004 1 909 . 1 1 206 206 LEU H H 1 8.48 0.04 . 1 . . . . 206 LEU H . 19004 1 910 . 1 1 206 206 LEU C C 13 178.51 0.2 . 1 . . . . 206 LEU C . 19004 1 911 . 1 1 206 206 LEU CA C 13 58.73 0.2 . 1 . . . . 206 LEU CA . 19004 1 912 . 1 1 206 206 LEU CB C 13 41.24 0.2 . 1 . . . . 206 LEU CB . 19004 1 913 . 1 1 206 206 LEU N N 15 123.88 0.2 . 1 . . . . 206 LEU N . 19004 1 914 . 1 1 207 207 LEU H H 1 7.45 0.04 . 1 . . . . 207 LEU H . 19004 1 915 . 1 1 207 207 LEU C C 13 179.47 0.2 . 1 . . . . 207 LEU C . 19004 1 916 . 1 1 207 207 LEU CA C 13 56.40 0.2 . 1 . . . . 207 LEU CA . 19004 1 917 . 1 1 207 207 LEU CB C 13 42.41 0.2 . 1 . . . . 207 LEU CB . 19004 1 918 . 1 1 207 207 LEU N N 15 113.04 0.2 . 1 . . . . 207 LEU N . 19004 1 919 . 1 1 208 208 ASN H H 1 8.58 0.04 . 1 . . . . 208 ASN H . 19004 1 920 . 1 1 208 208 ASN C C 13 177.13 0.2 . 1 . . . . 208 ASN C . 19004 1 921 . 1 1 208 208 ASN CA C 13 54.46 0.2 . 1 . . . . 208 ASN CA . 19004 1 922 . 1 1 208 208 ASN CB C 13 39.71 0.2 . 1 . . . . 208 ASN CB . 19004 1 923 . 1 1 208 208 ASN N N 15 114.81 0.2 . 1 . . . . 208 ASN N . 19004 1 924 . 1 1 209 209 GLU H H 1 7.87 0.04 . 1 . . . . 209 GLU H . 19004 1 925 . 1 1 209 209 GLU C C 13 173.86 0.2 . 1 . . . . 209 GLU C . 19004 1 926 . 1 1 209 209 GLU CA C 13 55.07 0.2 . 1 . . . . 209 GLU CA . 19004 1 927 . 1 1 209 209 GLU CB C 13 29.37 0.2 . 1 . . . . 209 GLU CB . 19004 1 928 . 1 1 209 209 GLU N N 15 119.13 0.2 . 1 . . . . 209 GLU N . 19004 1 929 . 1 1 210 210 ASP H H 1 8.15 0.04 . 1 . . . . 210 ASP H . 19004 1 930 . 1 1 210 210 ASP C C 13 175.42 0.2 . 1 . . . . 210 ASP C . 19004 1 931 . 1 1 210 210 ASP CA C 13 52.46 0.2 . 1 . . . . 210 ASP CA . 19004 1 932 . 1 1 210 210 ASP CB C 13 40.38 0.2 . 1 . . . . 210 ASP CB . 19004 1 933 . 1 1 210 210 ASP N N 15 120.00 0.2 . 1 . . . . 210 ASP N . 19004 1 934 . 1 1 211 211 TRP H H 1 7.91 0.04 . 1 . . . . 211 TRP H . 19004 1 935 . 1 1 211 211 TRP C C 13 176.70 0.2 . 1 . . . . 211 TRP C . 19004 1 936 . 1 1 211 211 TRP CA C 13 56.10 0.2 . 1 . . . . 211 TRP CA . 19004 1 937 . 1 1 211 211 TRP CB C 13 32.62 0.2 . 1 . . . . 211 TRP CB . 19004 1 938 . 1 1 211 211 TRP N N 15 124.87 0.2 . 1 . . . . 211 TRP N . 19004 1 939 . 1 1 212 212 LYS H H 1 9.23 0.04 . 1 . . . . 212 LYS H . 19004 1 940 . 1 1 212 212 LYS C C 13 174.13 0.2 . 1 . . . . 212 LYS C . 19004 1 941 . 1 1 212 212 LYS CA C 13 54.81 0.2 . 1 . . . . 212 LYS CA . 19004 1 942 . 1 1 212 212 LYS CB C 13 35.09 0.2 . 1 . . . . 212 LYS CB . 19004 1 943 . 1 1 212 212 LYS N N 15 124.31 0.2 . 1 . . . . 212 LYS N . 19004 1 944 . 1 1 213 213 LEU H H 1 8.08 0.04 . 1 . . . . 213 LEU H . 19004 1 945 . 1 1 213 213 LEU C C 13 176.30 0.2 . 1 . . . . 213 LEU C . 19004 1 946 . 1 1 213 213 LEU CA C 13 54.55 0.2 . 1 . . . . 213 LEU CA . 19004 1 947 . 1 1 213 213 LEU CB C 13 39.28 0.2 . 1 . . . . 213 LEU CB . 19004 1 948 . 1 1 213 213 LEU N N 15 131.23 0.2 . 1 . . . . 213 LEU N . 19004 1 949 . 1 1 214 214 GLU H H 1 8.85 0.04 . 1 . . . . 214 GLU H . 19004 1 950 . 1 1 214 214 GLU C C 13 174.21 0.2 . 1 . . . . 214 GLU C . 19004 1 951 . 1 1 214 214 GLU CA C 13 53.98 0.2 . 1 . . . . 214 GLU CA . 19004 1 952 . 1 1 214 214 GLU CB C 13 31.65 0.2 . 1 . . . . 214 GLU CB . 19004 1 953 . 1 1 214 214 GLU N N 15 127.31 0.2 . 1 . . . . 214 GLU N . 19004 1 954 . 1 1 215 215 LYS H H 1 8.19 0.04 . 1 . . . . 215 LYS H . 19004 1 955 . 1 1 215 215 LYS C C 13 176.94 0.2 . 1 . . . . 215 LYS C . 19004 1 956 . 1 1 215 215 LYS CA C 13 55.08 0.2 . 1 . . . . 215 LYS CA . 19004 1 957 . 1 1 215 215 LYS CB C 13 32.59 0.2 . 1 . . . . 215 LYS CB . 19004 1 958 . 1 1 215 215 LYS N N 15 119.94 0.2 . 1 . . . . 215 LYS N . 19004 1 959 . 1 1 216 216 ASN H H 1 8.41 0.04 . 1 . . . . 216 ASN H . 19004 1 960 . 1 1 216 216 ASN C C 13 178.05 0.2 . 1 . . . . 216 ASN C . 19004 1 961 . 1 1 216 216 ASN CA C 13 50.44 0.2 . 1 . . . . 216 ASN CA . 19004 1 962 . 1 1 216 216 ASN CB C 13 38.64 0.2 . 1 . . . . 216 ASN CB . 19004 1 963 . 1 1 216 216 ASN N N 15 122.77 0.2 . 1 . . . . 216 ASN N . 19004 1 964 . 1 1 217 217 ASP H H 1 8.62 0.04 . 1 . . . . 217 ASP H . 19004 1 965 . 1 1 217 217 ASP C C 13 176.66 0.2 . 1 . . . . 217 ASP C . 19004 1 966 . 1 1 217 217 ASP CA C 13 56.39 0.2 . 1 . . . . 217 ASP CA . 19004 1 967 . 1 1 217 217 ASP CB C 13 39.77 0.2 . 1 . . . . 217 ASP CB . 19004 1 968 . 1 1 217 217 ASP N N 15 117.53 0.2 . 1 . . . . 217 ASP N . 19004 1 969 . 1 1 218 218 ALA H H 1 8.05 0.04 . 1 . . . . 218 ALA H . 19004 1 970 . 1 1 218 218 ALA C C 13 175.84 0.2 . 1 . . . . 218 ALA C . 19004 1 971 . 1 1 218 218 ALA CA C 13 50.98 0.2 . 1 . . . . 218 ALA CA . 19004 1 972 . 1 1 218 218 ALA CB C 13 17.51 0.2 . 1 . . . . 218 ALA CB . 19004 1 973 . 1 1 218 218 ALA N N 15 122.52 0.2 . 1 . . . . 218 ALA N . 19004 1 974 . 1 1 219 219 ASN H H 1 8.13 0.04 . 1 . . . . 219 ASN H . 19004 1 975 . 1 1 219 219 ASN C C 13 173.76 0.2 . 1 . . . . 219 ASN C . 19004 1 976 . 1 1 219 219 ASN CA C 13 54.29 0.2 . 1 . . . . 219 ASN CA . 19004 1 977 . 1 1 219 219 ASN CB C 13 36.81 0.2 . 1 . . . . 219 ASN CB . 19004 1 978 . 1 1 219 219 ASN N N 15 112.81 0.2 . 1 . . . . 219 ASN N . 19004 1 979 . 1 1 220 220 ASN H H 1 7.36 0.04 . 1 . . . . 220 ASN H . 19004 1 980 . 1 1 220 220 ASN C C 13 174.31 0.2 . 1 . . . . 220 ASN C . 19004 1 981 . 1 1 220 220 ASN CA C 13 51.14 0.2 . 1 . . . . 220 ASN CA . 19004 1 982 . 1 1 220 220 ASN CB C 13 39.56 0.2 . 1 . . . . 220 ASN CB . 19004 1 983 . 1 1 220 220 ASN N N 15 115.65 0.2 . 1 . . . . 220 ASN N . 19004 1 984 . 1 1 221 221 GLU H H 1 8.11 0.04 . 1 . . . . 221 GLU H . 19004 1 985 . 1 1 221 221 GLU C C 13 175.07 0.2 . 1 . . . . 221 GLU C . 19004 1 986 . 1 1 221 221 GLU CA C 13 55.36 0.2 . 1 . . . . 221 GLU CA . 19004 1 987 . 1 1 221 221 GLU CB C 13 29.23 0.2 . 1 . . . . 221 GLU CB . 19004 1 988 . 1 1 221 221 GLU N N 15 119.91 0.2 . 1 . . . . 221 GLU N . 19004 1 989 . 1 1 222 222 GLN H H 1 8.68 0.04 . 1 . . . . 222 GLN H . 19004 1 990 . 1 1 222 222 GLN C C 13 172.01 0.2 . 1 . . . . 222 GLN C . 19004 1 991 . 1 1 222 222 GLN CA C 13 53.58 0.2 . 1 . . . . 222 GLN CA . 19004 1 992 . 1 1 222 222 GLN CB C 13 31.65 0.2 . 1 . . . . 222 GLN CB . 19004 1 993 . 1 1 222 222 GLN N N 15 117.55 0.2 . 1 . . . . 222 GLN N . 19004 1 994 . 1 1 223 223 TRP H H 1 8.32 0.04 . 1 . . . . 223 TRP H . 19004 1 995 . 1 1 223 223 TRP C C 13 174.74 0.2 . 1 . . . . 223 TRP C . 19004 1 996 . 1 1 223 223 TRP CA C 13 55.73 0.2 . 1 . . . . 223 TRP CA . 19004 1 997 . 1 1 223 223 TRP CB C 13 28.75 0.2 . 1 . . . . 223 TRP CB . 19004 1 998 . 1 1 223 223 TRP N N 15 123.63 0.2 . 1 . . . . 223 TRP N . 19004 1 999 . 1 1 224 224 ASP H H 1 9.49 0.04 . 1 . . . . 224 ASP H . 19004 1 1000 . 1 1 224 224 ASP C C 13 176.59 0.2 . 1 . . . . 224 ASP C . 19004 1 1001 . 1 1 224 224 ASP CA C 13 51.97 0.2 . 1 . . . . 224 ASP CA . 19004 1 1002 . 1 1 224 224 ASP CB C 13 42.33 0.2 . 1 . . . . 224 ASP CB . 19004 1 1003 . 1 1 224 224 ASP N N 15 120.32 0.2 . 1 . . . . 224 ASP N . 19004 1 1004 . 1 1 225 225 SER H H 1 8.93 0.04 . 1 . . . . 225 SER H . 19004 1 1005 . 1 1 225 225 SER C C 13 177.07 0.2 . 1 . . . . 225 SER C . 19004 1 1006 . 1 1 225 225 SER CA C 13 54.81 0.2 . 1 . . . . 225 SER CA . 19004 1 1007 . 1 1 225 225 SER CB C 13 65.25 0.2 . 1 . . . . 225 SER CB . 19004 1 1008 . 1 1 225 225 SER N N 15 118.96 0.2 . 1 . . . . 225 SER N . 19004 1 1009 . 1 1 226 226 LYS H H 1 8.73 0.04 . 1 . . . . 226 LYS H . 19004 1 1010 . 1 1 226 226 LYS C C 13 177.58 0.2 . 1 . . . . 226 LYS C . 19004 1 1011 . 1 1 226 226 LYS CA C 13 57.93 0.2 . 1 . . . . 226 LYS CA . 19004 1 1012 . 1 1 226 226 LYS CB C 13 30.61 0.2 . 1 . . . . 226 LYS CB . 19004 1 1013 . 1 1 226 226 LYS N N 15 125.01 0.2 . 1 . . . . 226 LYS N . 19004 1 1014 . 1 1 227 227 SER H H 1 7.45 0.04 . 1 . . . . 227 SER H . 19004 1 1015 . 1 1 227 227 SER C C 13 173.16 0.2 . 1 . . . . 227 SER C . 19004 1 1016 . 1 1 227 227 SER CA C 13 57.50 0.2 . 1 . . . . 227 SER CA . 19004 1 1017 . 1 1 227 227 SER CB C 13 61.66 0.2 . 1 . . . . 227 SER CB . 19004 1 1018 . 1 1 227 227 SER N N 15 113.04 0.2 . 1 . . . . 227 SER N . 19004 1 1019 . 1 1 228 228 GLY H H 1 7.60 0.04 . 1 . . . . 228 GLY H . 19004 1 1020 . 1 1 228 228 GLY C C 13 174.07 0.2 . 1 . . . . 228 GLY C . 19004 1 1021 . 1 1 228 228 GLY CA C 13 44.13 0.2 . 1 . . . . 228 GLY CA . 19004 1 1022 . 1 1 228 228 GLY N N 15 106.64 0.2 . 1 . . . . 228 GLY N . 19004 1 1023 . 1 1 229 229 TYR H H 1 6.40 0.04 . 1 . . . . 229 TYR H . 19004 1 1024 . 1 1 229 229 TYR C C 13 174.75 0.2 . 1 . . . . 229 TYR C . 19004 1 1025 . 1 1 229 229 TYR CA C 13 52.54 0.2 . 1 . . . . 229 TYR CA . 19004 1 1026 . 1 1 229 229 TYR CB C 13 39.17 0.2 . 1 . . . . 229 TYR CB . 19004 1 1027 . 1 1 229 229 TYR N N 15 120.07 0.2 . 1 . . . . 229 TYR N . 19004 1 1028 . 1 1 230 230 MET H H 1 9.18 0.04 . 1 . . . . 230 MET H . 19004 1 1029 . 1 1 230 230 MET C C 13 172.58 0.2 . 1 . . . . 230 MET C . 19004 1 1030 . 1 1 230 230 MET CA C 13 53.42 0.2 . 1 . . . . 230 MET CA . 19004 1 1031 . 1 1 230 230 MET CB C 13 36.95 0.2 . 1 . . . . 230 MET CB . 19004 1 1032 . 1 1 230 230 MET N N 15 124.20 0.2 . 1 . . . . 230 MET N . 19004 1 1033 . 1 1 231 231 MET H H 1 8.65 0.04 . 1 . . . . 231 MET H . 19004 1 1034 . 1 1 231 231 MET C C 13 176.70 0.2 . 1 . . . . 231 MET C . 19004 1 1035 . 1 1 231 231 MET CA C 13 53.46 0.2 . 1 . . . . 231 MET CA . 19004 1 1036 . 1 1 231 231 MET CB C 13 35.83 0.2 . 1 . . . . 231 MET CB . 19004 1 1037 . 1 1 231 231 MET N N 15 113.13 0.2 . 1 . . . . 231 MET N . 19004 1 1038 . 1 1 232 232 LEU H H 1 10.14 0.04 . 1 . . . . 232 LEU H . 19004 1 1039 . 1 1 232 232 LEU C C 13 177.66 0.2 . 1 . . . . 232 LEU C . 19004 1 1040 . 1 1 232 232 LEU CA C 13 52.19 0.2 . 1 . . . . 232 LEU CA . 19004 1 1041 . 1 1 232 232 LEU CB C 13 39.08 0.2 . 1 . . . . 232 LEU CB . 19004 1 1042 . 1 1 232 232 LEU N N 15 121.98 0.2 . 1 . . . . 232 LEU N . 19004 1 1043 . 1 1 233 233 PRO C C 13 179.19 0.2 . 1 . . . . 233 PRO C . 19004 1 1044 . 1 1 233 233 PRO CA C 13 66.90 0.2 . 1 . . . . 233 PRO CA . 19004 1 1045 . 1 1 233 233 PRO CB C 13 29.92 0.2 . 1 . . . . 233 PRO CB . 19004 1 1046 . 1 1 234 234 THR H H 1 6.87 0.04 . 1 . . . . 234 THR H . 19004 1 1047 . 1 1 234 234 THR C C 13 177.17 0.2 . 1 . . . . 234 THR C . 19004 1 1048 . 1 1 234 234 THR CA C 13 64.46 0.2 . 1 . . . . 234 THR CA . 19004 1 1049 . 1 1 234 234 THR CB C 13 66.00 0.2 . 1 . . . . 234 THR CB . 19004 1 1050 . 1 1 234 234 THR N N 15 106.59 0.2 . 1 . . . . 234 THR N . 19004 1 1051 . 1 1 235 235 ASP H H 1 6.45 0.04 . 1 . . . . 235 ASP H . 19004 1 1052 . 1 1 235 235 ASP C C 13 177.38 0.2 . 1 . . . . 235 ASP C . 19004 1 1053 . 1 1 235 235 ASP CA C 13 57.85 0.2 . 1 . . . . 235 ASP CA . 19004 1 1054 . 1 1 235 235 ASP CB C 13 44.85 0.2 . 1 . . . . 235 ASP CB . 19004 1 1055 . 1 1 235 235 ASP N N 15 121.66 0.2 . 1 . . . . 235 ASP N . 19004 1 1056 . 1 1 236 236 TYR H H 1 8.04 0.04 . 1 . . . . 236 TYR H . 19004 1 1057 . 1 1 236 236 TYR C C 13 177.45 0.2 . 1 . . . . 236 TYR C . 19004 1 1058 . 1 1 236 236 TYR CA C 13 60.26 0.2 . 1 . . . . 236 TYR CA . 19004 1 1059 . 1 1 236 236 TYR CB C 13 38.76 0.2 . 1 . . . . 236 TYR CB . 19004 1 1060 . 1 1 236 236 TYR N N 15 118.99 0.2 . 1 . . . . 236 TYR N . 19004 1 1061 . 1 1 237 237 SER H H 1 7.68 0.04 . 1 . . . . 237 SER H . 19004 1 1062 . 1 1 237 237 SER C C 13 175.61 0.2 . 1 . . . . 237 SER C . 19004 1 1063 . 1 1 237 237 SER CA C 13 61.61 0.2 . 1 . . . . 237 SER CA . 19004 1 1064 . 1 1 237 237 SER CB C 13 62.01 0.2 . 1 . . . . 237 SER CB . 19004 1 1065 . 1 1 237 237 SER N N 15 113.85 0.2 . 1 . . . . 237 SER N . 19004 1 1066 . 1 1 238 238 LEU H H 1 7.66 0.04 . 1 . . . . 238 LEU H . 19004 1 1067 . 1 1 238 238 LEU C C 13 176.77 0.2 . 1 . . . . 238 LEU C . 19004 1 1068 . 1 1 238 238 LEU CA C 13 56.28 0.2 . 1 . . . . 238 LEU CA . 19004 1 1069 . 1 1 238 238 LEU CB C 13 40.63 0.2 . 1 . . . . 238 LEU CB . 19004 1 1070 . 1 1 238 238 LEU N N 15 120.70 0.2 . 1 . . . . 238 LEU N . 19004 1 1071 . 1 1 239 239 ILE H H 1 7.26 0.04 . 1 . . . . 239 ILE H . 19004 1 1072 . 1 1 239 239 ILE C C 13 177.31 0.2 . 1 . . . . 239 ILE C . 19004 1 1073 . 1 1 239 239 ILE CA C 13 59.75 0.2 . 1 . . . . 239 ILE CA . 19004 1 1074 . 1 1 239 239 ILE CB C 13 37.12 0.2 . 1 . . . . 239 ILE CB . 19004 1 1075 . 1 1 239 239 ILE N N 15 102.74 0.2 . 1 . . . . 239 ILE N . 19004 1 1076 . 1 1 240 240 GLN H H 1 7.30 0.04 . 1 . . . . 240 GLN H . 19004 1 1077 . 1 1 240 240 GLN C C 13 175.90 0.2 . 1 . . . . 240 GLN C . 19004 1 1078 . 1 1 240 240 GLN CA C 13 55.88 0.2 . 1 . . . . 240 GLN CA . 19004 1 1079 . 1 1 240 240 GLN CB C 13 29.13 0.2 . 1 . . . . 240 GLN CB . 19004 1 1080 . 1 1 240 240 GLN N N 15 120.85 0.2 . 1 . . . . 240 GLN N . 19004 1 1081 . 1 1 241 241 ASP H H 1 7.34 0.04 . 1 . . . . 241 ASP H . 19004 1 1082 . 1 1 241 241 ASP C C 13 173.88 0.2 . 1 . . . . 241 ASP C . 19004 1 1083 . 1 1 241 241 ASP CA C 13 50.44 0.2 . 1 . . . . 241 ASP CA . 19004 1 1084 . 1 1 241 241 ASP CB C 13 43.94 0.2 . 1 . . . . 241 ASP CB . 19004 1 1085 . 1 1 241 241 ASP N N 15 123.02 0.2 . 1 . . . . 241 ASP N . 19004 1 1086 . 1 1 242 242 PRO C C 13 179.44 0.2 . 1 . . . . 242 PRO C . 19004 1 1087 . 1 1 242 242 PRO CA C 13 64.76 0.2 . 1 . . . . 242 PRO CA . 19004 1 1088 . 1 1 243 243 LYS H H 1 7.45 0.04 . 1 . . . . 243 LYS H . 19004 1 1089 . 1 1 243 243 LYS C C 13 180.32 0.2 . 1 . . . . 243 LYS C . 19004 1 1090 . 1 1 243 243 LYS CA C 13 58.22 0.2 . 1 . . . . 243 LYS CA . 19004 1 1091 . 1 1 243 243 LYS CB C 13 30.68 0.2 . 1 . . . . 243 LYS CB . 19004 1 1092 . 1 1 243 243 LYS N N 15 118.82 0.2 . 1 . . . . 243 LYS N . 19004 1 1093 . 1 1 244 244 TYR H H 1 8.52 0.04 . 1 . . . . 244 TYR H . 19004 1 1094 . 1 1 244 244 TYR C C 13 179.09 0.2 . 1 . . . . 244 TYR C . 19004 1 1095 . 1 1 244 244 TYR CA C 13 57.47 0.2 . 1 . . . . 244 TYR CA . 19004 1 1096 . 1 1 244 244 TYR CB C 13 36.82 0.2 . 1 . . . . 244 TYR CB . 19004 1 1097 . 1 1 244 244 TYR N N 15 121.32 0.2 . 1 . . . . 244 TYR N . 19004 1 1098 . 1 1 245 245 LEU H H 1 8.77 0.04 . 1 . . . . 245 LEU H . 19004 1 1099 . 1 1 245 245 LEU C C 13 178.31 0.2 . 1 . . . . 245 LEU C . 19004 1 1100 . 1 1 245 245 LEU CA C 13 58.13 0.2 . 1 . . . . 245 LEU CA . 19004 1 1101 . 1 1 245 245 LEU CB C 13 40.58 0.2 . 1 . . . . 245 LEU CB . 19004 1 1102 . 1 1 245 245 LEU N N 15 122.31 0.2 . 1 . . . . 245 LEU N . 19004 1 1103 . 1 1 246 246 SER H H 1 7.10 0.04 . 1 . . . . 246 SER H . 19004 1 1104 . 1 1 246 246 SER C C 13 176.64 0.2 . 1 . . . . 246 SER C . 19004 1 1105 . 1 1 246 246 SER CA C 13 61.22 0.2 . 1 . . . . 246 SER CA . 19004 1 1106 . 1 1 246 246 SER CB C 13 62.59 0.2 . 1 . . . . 246 SER CB . 19004 1 1107 . 1 1 246 246 SER N N 15 110.19 0.2 . 1 . . . . 246 SER N . 19004 1 1108 . 1 1 247 247 ILE H H 1 7.35 0.04 . 1 . . . . 247 ILE H . 19004 1 1109 . 1 1 247 247 ILE C C 13 176.90 0.2 . 1 . . . . 247 ILE C . 19004 1 1110 . 1 1 247 247 ILE CA C 13 64.24 0.2 . 1 . . . . 247 ILE CA . 19004 1 1111 . 1 1 247 247 ILE CB C 13 37.46 0.2 . 1 . . . . 247 ILE CB . 19004 1 1112 . 1 1 247 247 ILE N N 15 123.71 0.2 . 1 . . . . 247 ILE N . 19004 1 1113 . 1 1 248 248 VAL H H 1 8.63 0.04 . 1 . . . . 248 VAL H . 19004 1 1114 . 1 1 248 248 VAL C C 13 178.61 0.2 . 1 . . . . 248 VAL C . 19004 1 1115 . 1 1 248 248 VAL CA C 13 66.67 0.2 . 1 . . . . 248 VAL CA . 19004 1 1116 . 1 1 248 248 VAL CB C 13 30.93 0.2 . 1 . . . . 248 VAL CB . 19004 1 1117 . 1 1 248 248 VAL N N 15 122.43 0.2 . 1 . . . . 248 VAL N . 19004 1 1118 . 1 1 249 249 LYS H H 1 8.20 0.04 . 1 . . . . 249 LYS H . 19004 1 1119 . 1 1 249 249 LYS C C 13 179.15 0.2 . 1 . . . . 249 LYS C . 19004 1 1120 . 1 1 249 249 LYS CA C 13 59.85 0.2 . 1 . . . . 249 LYS CA . 19004 1 1121 . 1 1 249 249 LYS CB C 13 31.88 0.2 . 1 . . . . 249 LYS CB . 19004 1 1122 . 1 1 249 249 LYS N N 15 115.81 0.2 . 1 . . . . 249 LYS N . 19004 1 1123 . 1 1 250 250 GLU H H 1 7.29 0.04 . 1 . . . . 250 GLU H . 19004 1 1124 . 1 1 250 250 GLU C C 13 180.15 0.2 . 1 . . . . 250 GLU C . 19004 1 1125 . 1 1 250 250 GLU CA C 13 59.14 0.2 . 1 . . . . 250 GLU CA . 19004 1 1126 . 1 1 250 250 GLU CB C 13 29.11 0.2 . 1 . . . . 250 GLU CB . 19004 1 1127 . 1 1 250 250 GLU N N 15 120.63 0.2 . 1 . . . . 250 GLU N . 19004 1 1128 . 1 1 251 251 TYR H H 1 7.85 0.04 . 1 . . . . 251 TYR H . 19004 1 1129 . 1 1 251 251 TYR C C 13 179.01 0.2 . 1 . . . . 251 TYR C . 19004 1 1130 . 1 1 251 251 TYR CA C 13 55.67 0.2 . 1 . . . . 251 TYR CA . 19004 1 1131 . 1 1 251 251 TYR CB C 13 35.49 0.2 . 1 . . . . 251 TYR CB . 19004 1 1132 . 1 1 251 251 TYR N N 15 120.09 0.2 . 1 . . . . 251 TYR N . 19004 1 1133 . 1 1 252 252 ALA H H 1 8.69 0.04 . 1 . . . . 252 ALA H . 19004 1 1134 . 1 1 252 252 ALA C C 13 177.74 0.2 . 1 . . . . 252 ALA C . 19004 1 1135 . 1 1 252 252 ALA CA C 13 54.51 0.2 . 1 . . . . 252 ALA CA . 19004 1 1136 . 1 1 252 252 ALA CB C 13 18.12 0.2 . 1 . . . . 252 ALA CB . 19004 1 1137 . 1 1 252 252 ALA N N 15 122.06 0.2 . 1 . . . . 252 ALA N . 19004 1 1138 . 1 1 253 253 ASN H H 1 7.34 0.04 . 1 . . . . 253 ASN H . 19004 1 1139 . 1 1 253 253 ASN C C 13 175.11 0.2 . 1 . . . . 253 ASN C . 19004 1 1140 . 1 1 253 253 ASN CA C 13 53.80 0.2 . 1 . . . . 253 ASN CA . 19004 1 1141 . 1 1 253 253 ASN CB C 13 39.81 0.2 . 1 . . . . 253 ASN CB . 19004 1 1142 . 1 1 253 253 ASN N N 15 112.54 0.2 . 1 . . . . 253 ASN N . 19004 1 1143 . 1 1 254 254 ASP H H 1 7.73 0.04 . 1 . . . . 254 ASP H . 19004 1 1144 . 1 1 254 254 ASP C C 13 174.39 0.2 . 1 . . . . 254 ASP C . 19004 1 1145 . 1 1 254 254 ASP CA C 13 52.90 0.2 . 1 . . . . 254 ASP CA . 19004 1 1146 . 1 1 254 254 ASP CB C 13 41.28 0.2 . 1 . . . . 254 ASP CB . 19004 1 1147 . 1 1 254 254 ASP N N 15 120.55 0.2 . 1 . . . . 254 ASP N . 19004 1 1148 . 1 1 255 255 GLN H H 1 9.18 0.04 . 1 . . . . 255 GLN H . 19004 1 1149 . 1 1 255 255 GLN C C 13 176.93 0.2 . 1 . . . . 255 GLN C . 19004 1 1150 . 1 1 255 255 GLN CA C 13 59.43 0.2 . 1 . . . . 255 GLN CA . 19004 1 1151 . 1 1 255 255 GLN CB C 13 29.79 0.2 . 1 . . . . 255 GLN CB . 19004 1 1152 . 1 1 255 255 GLN N N 15 126.15 0.2 . 1 . . . . 255 GLN N . 19004 1 1153 . 1 1 256 256 ASP H H 1 8.20 0.04 . 1 . . . . 256 ASP H . 19004 1 1154 . 1 1 256 256 ASP C C 13 178.55 0.2 . 1 . . . . 256 ASP C . 19004 1 1155 . 1 1 256 256 ASP CA C 13 57.55 0.2 . 1 . . . . 256 ASP CA . 19004 1 1156 . 1 1 256 256 ASP CB C 13 40.28 0.2 . 1 . . . . 256 ASP CB . 19004 1 1157 . 1 1 256 256 ASP N N 15 119.00 0.2 . 1 . . . . 256 ASP N . 19004 1 1158 . 1 1 257 257 LYS H H 1 7.70 0.04 . 1 . . . . 257 LYS H . 19004 1 1159 . 1 1 257 257 LYS C C 13 178.15 0.2 . 1 . . . . 257 LYS C . 19004 1 1160 . 1 1 257 257 LYS CA C 13 58.37 0.2 . 1 . . . . 257 LYS CA . 19004 1 1161 . 1 1 257 257 LYS CB C 13 31.52 0.2 . 1 . . . . 257 LYS CB . 19004 1 1162 . 1 1 257 257 LYS N N 15 122.19 0.2 . 1 . . . . 257 LYS N . 19004 1 1163 . 1 1 258 258 PHE H H 1 7.53 0.04 . 1 . . . . 258 PHE H . 19004 1 1164 . 1 1 258 258 PHE C C 13 176.18 0.2 . 1 . . . . 258 PHE C . 19004 1 1165 . 1 1 258 258 PHE CA C 13 58.56 0.2 . 1 . . . . 258 PHE CA . 19004 1 1166 . 1 1 258 258 PHE CB C 13 37.23 0.2 . 1 . . . . 258 PHE CB . 19004 1 1167 . 1 1 258 258 PHE N N 15 118.77 0.2 . 1 . . . . 258 PHE N . 19004 1 1168 . 1 1 259 259 PHE H H 1 9.07 0.04 . 1 . . . . 259 PHE H . 19004 1 1169 . 1 1 259 259 PHE C C 13 178.31 0.2 . 1 . . . . 259 PHE C . 19004 1 1170 . 1 1 259 259 PHE CA C 13 59.89 0.2 . 1 . . . . 259 PHE CA . 19004 1 1171 . 1 1 259 259 PHE CB C 13 36.76 0.2 . 1 . . . . 259 PHE CB . 19004 1 1172 . 1 1 259 259 PHE N N 15 121.31 0.2 . 1 . . . . 259 PHE N . 19004 1 1173 . 1 1 260 260 LYS H H 1 7.98 0.04 . 1 . . . . 260 LYS H . 19004 1 1174 . 1 1 260 260 LYS C C 13 179.84 0.2 . 1 . . . . 260 LYS C . 19004 1 1175 . 1 1 260 260 LYS CA C 13 59.31 0.2 . 1 . . . . 260 LYS CA . 19004 1 1176 . 1 1 260 260 LYS CB C 13 31.72 0.2 . 1 . . . . 260 LYS CB . 19004 1 1177 . 1 1 260 260 LYS N N 15 119.04 0.2 . 1 . . . . 260 LYS N . 19004 1 1178 . 1 1 261 261 ASP H H 1 8.45 0.04 . 1 . . . . 261 ASP H . 19004 1 1179 . 1 1 261 261 ASP C C 13 179.91 0.2 . 1 . . . . 261 ASP C . 19004 1 1180 . 1 1 261 261 ASP CA C 13 56.85 0.2 . 1 . . . . 261 ASP CA . 19004 1 1181 . 1 1 261 261 ASP CB C 13 38.61 0.2 . 1 . . . . 261 ASP CB . 19004 1 1182 . 1 1 261 261 ASP N N 15 122.01 0.2 . 1 . . . . 261 ASP N . 19004 1 1183 . 1 1 262 262 PHE H H 1 9.92 0.04 . 1 . . . . 262 PHE H . 19004 1 1184 . 1 1 262 262 PHE C C 13 176.53 0.2 . 1 . . . . 262 PHE C . 19004 1 1185 . 1 1 262 262 PHE CA C 13 62.85 0.2 . 1 . . . . 262 PHE CA . 19004 1 1186 . 1 1 262 262 PHE CB C 13 38.30 0.2 . 1 . . . . 262 PHE CB . 19004 1 1187 . 1 1 262 262 PHE N N 15 123.80 0.2 . 1 . . . . 262 PHE N . 19004 1 1188 . 1 1 263 263 SER H H 1 8.26 0.04 . 1 . . . . 263 SER H . 19004 1 1189 . 1 1 263 263 SER C C 13 176.44 0.2 . 1 . . . . 263 SER C . 19004 1 1190 . 1 1 263 263 SER CA C 13 61.21 0.2 . 1 . . . . 263 SER CA . 19004 1 1191 . 1 1 263 263 SER CB C 13 62.33 0.2 . 1 . . . . 263 SER CB . 19004 1 1192 . 1 1 263 263 SER N N 15 112.88 0.2 . 1 . . . . 263 SER N . 19004 1 1193 . 1 1 264 264 LYS H H 1 7.14 0.04 . 1 . . . . 264 LYS H . 19004 1 1194 . 1 1 264 264 LYS C C 13 179.38 0.2 . 1 . . . . 264 LYS C . 19004 1 1195 . 1 1 264 264 LYS CA C 13 58.49 0.2 . 1 . . . . 264 LYS CA . 19004 1 1196 . 1 1 264 264 LYS CB C 13 32.05 0.2 . 1 . . . . 264 LYS CB . 19004 1 1197 . 1 1 264 264 LYS N N 15 117.41 0.2 . 1 . . . . 264 LYS N . 19004 1 1198 . 1 1 265 265 ALA H H 1 8.02 0.04 . 1 . . . . 265 ALA H . 19004 1 1199 . 1 1 265 265 ALA C C 13 178.56 0.2 . 1 . . . . 265 ALA C . 19004 1 1200 . 1 1 265 265 ALA CA C 13 54.72 0.2 . 1 . . . . 265 ALA CA . 19004 1 1201 . 1 1 265 265 ALA CB C 13 17.28 0.2 . 1 . . . . 265 ALA CB . 19004 1 1202 . 1 1 265 265 ALA N N 15 123.08 0.2 . 1 . . . . 265 ALA N . 19004 1 1203 . 1 1 266 266 PHE H H 1 9.22 0.04 . 1 . . . . 266 PHE H . 19004 1 1204 . 1 1 266 266 PHE C C 13 177.30 0.2 . 1 . . . . 266 PHE C . 19004 1 1205 . 1 1 266 266 PHE CA C 13 59.80 0.2 . 1 . . . . 266 PHE CA . 19004 1 1206 . 1 1 266 266 PHE CB C 13 38.54 0.2 . 1 . . . . 266 PHE CB . 19004 1 1207 . 1 1 266 266 PHE N N 15 120.28 0.2 . 1 . . . . 266 PHE N . 19004 1 1208 . 1 1 267 267 GLU H H 1 7.79 0.04 . 1 . . . . 267 GLU H . 19004 1 1209 . 1 1 267 267 GLU C C 13 177.15 0.2 . 1 . . . . 267 GLU C . 19004 1 1210 . 1 1 267 267 GLU CA C 13 59.58 0.2 . 1 . . . . 267 GLU CA . 19004 1 1211 . 1 1 267 267 GLU CB C 13 25.51 0.2 . 1 . . . . 267 GLU CB . 19004 1 1212 . 1 1 267 267 GLU N N 15 117.54 0.2 . 1 . . . . 267 GLU N . 19004 1 1213 . 1 1 268 268 LYS H H 1 7.46 0.04 . 1 . . . . 268 LYS H . 19004 1 1214 . 1 1 268 268 LYS C C 13 178.72 0.2 . 1 . . . . 268 LYS C . 19004 1 1215 . 1 1 268 268 LYS CA C 13 59.04 0.2 . 1 . . . . 268 LYS CA . 19004 1 1216 . 1 1 268 268 LYS CB C 13 31.92 0.2 . 1 . . . . 268 LYS CB . 19004 1 1217 . 1 1 268 268 LYS N N 15 118.88 0.2 . 1 . . . . 268 LYS N . 19004 1 1218 . 1 1 269 269 LEU H H 1 8.16 0.04 . 1 . . . . 269 LEU H . 19004 1 1219 . 1 1 269 269 LEU C C 13 179.50 0.2 . 1 . . . . 269 LEU C . 19004 1 1220 . 1 1 269 269 LEU CA C 13 57.11 0.2 . 1 . . . . 269 LEU CA . 19004 1 1221 . 1 1 269 269 LEU CB C 13 41.56 0.2 . 1 . . . . 269 LEU CB . 19004 1 1222 . 1 1 269 269 LEU N N 15 119.70 0.2 . 1 . . . . 269 LEU N . 19004 1 1223 . 1 1 270 270 LEU H H 1 7.47 0.04 . 1 . . . . 270 LEU H . 19004 1 1224 . 1 1 270 270 LEU C C 13 178.08 0.2 . 1 . . . . 270 LEU C . 19004 1 1225 . 1 1 270 270 LEU CA C 13 56.08 0.2 . 1 . . . . 270 LEU CA . 19004 1 1226 . 1 1 270 270 LEU CB C 13 40.18 0.2 . 1 . . . . 270 LEU CB . 19004 1 1227 . 1 1 270 270 LEU N N 15 118.16 0.2 . 1 . . . . 270 LEU N . 19004 1 1228 . 1 1 271 271 GLU H H 1 7.56 0.04 . 1 . . . . 271 GLU H . 19004 1 1229 . 1 1 271 271 GLU C C 13 176.10 0.2 . 1 . . . . 271 GLU C . 19004 1 1230 . 1 1 271 271 GLU CA C 13 55.20 0.2 . 1 . . . . 271 GLU CA . 19004 1 1231 . 1 1 271 271 GLU CB C 13 29.33 0.2 . 1 . . . . 271 GLU CB . 19004 1 1232 . 1 1 271 271 GLU N N 15 119.95 0.2 . 1 . . . . 271 GLU N . 19004 1 1233 . 1 1 272 272 ASN H H 1 7.12 0.04 . 1 . . . . 272 ASN H . 19004 1 1234 . 1 1 272 272 ASN C C 13 176.39 0.2 . 1 . . . . 272 ASN C . 19004 1 1235 . 1 1 272 272 ASN CA C 13 52.94 0.2 . 1 . . . . 272 ASN CA . 19004 1 1236 . 1 1 272 272 ASN CB C 13 36.77 0.2 . 1 . . . . 272 ASN CB . 19004 1 1237 . 1 1 272 272 ASN N N 15 123.20 0.2 . 1 . . . . 272 ASN N . 19004 1 1238 . 1 1 273 273 GLY H H 1 8.29 0.04 . 1 . . . . 273 GLY H . 19004 1 1239 . 1 1 273 273 GLY C C 13 174.58 0.2 . 1 . . . . 273 GLY C . 19004 1 1240 . 1 1 273 273 GLY CA C 13 45.27 0.2 . 1 . . . . 273 GLY CA . 19004 1 1241 . 1 1 273 273 GLY N N 15 110.04 0.2 . 1 . . . . 273 GLY N . 19004 1 1242 . 1 1 274 274 ILE H H 1 7.53 0.04 . 1 . . . . 274 ILE H . 19004 1 1243 . 1 1 274 274 ILE C C 13 175.24 0.2 . 1 . . . . 274 ILE C . 19004 1 1244 . 1 1 274 274 ILE CA C 13 61.03 0.2 . 1 . . . . 274 ILE CA . 19004 1 1245 . 1 1 274 274 ILE CB C 13 37.67 0.2 . 1 . . . . 274 ILE CB . 19004 1 1246 . 1 1 274 274 ILE N N 15 121.76 0.2 . 1 . . . . 274 ILE N . 19004 1 1247 . 1 1 275 275 THR H H 1 8.73 0.04 . 1 . . . . 275 THR H . 19004 1 1248 . 1 1 275 275 THR C C 13 172.59 0.2 . 1 . . . . 275 THR C . 19004 1 1249 . 1 1 275 275 THR CA C 13 61.42 0.2 . 1 . . . . 275 THR CA . 19004 1 1250 . 1 1 275 275 THR CB C 13 69.32 0.2 . 1 . . . . 275 THR CB . 19004 1 1251 . 1 1 275 275 THR N N 15 125.06 0.2 . 1 . . . . 275 THR N . 19004 1 1252 . 1 1 276 276 PHE H H 1 9.11 0.04 . 1 . . . . 276 PHE H . 19004 1 1253 . 1 1 276 276 PHE C C 13 173.76 0.2 . 1 . . . . 276 PHE C . 19004 1 1254 . 1 1 276 276 PHE CA C 13 55.40 0.2 . 1 . . . . 276 PHE CA . 19004 1 1255 . 1 1 276 276 PHE CB C 13 38.00 0.2 . 1 . . . . 276 PHE CB . 19004 1 1256 . 1 1 276 276 PHE N N 15 129.34 0.2 . 1 . . . . 276 PHE N . 19004 1 1257 . 1 1 277 277 PRO C C 13 177.13 0.2 . 1 . . . . 277 PRO C . 19004 1 1258 . 1 1 277 277 PRO CA C 13 61.92 0.2 . 1 . . . . 277 PRO CA . 19004 1 1259 . 1 1 277 277 PRO CB C 13 32.26 0.2 . 1 . . . . 277 PRO CB . 19004 1 1260 . 1 1 278 278 LYS H H 1 8.76 0.04 . 1 . . . . 278 LYS H . 19004 1 1261 . 1 1 278 278 LYS C C 13 176.83 0.2 . 1 . . . . 278 LYS C . 19004 1 1262 . 1 1 278 278 LYS CA C 13 58.47 0.2 . 1 . . . . 278 LYS CA . 19004 1 1263 . 1 1 278 278 LYS CB C 13 31.19 0.2 . 1 . . . . 278 LYS CB . 19004 1 1264 . 1 1 278 278 LYS N N 15 121.69 0.2 . 1 . . . . 278 LYS N . 19004 1 1265 . 1 1 279 279 ASP H H 1 8.13 0.04 . 1 . . . . 279 ASP H . 19004 1 1266 . 1 1 279 279 ASP C C 13 175.81 0.2 . 1 . . . . 279 ASP C . 19004 1 1267 . 1 1 279 279 ASP CA C 13 52.49 0.2 . 1 . . . . 279 ASP CA . 19004 1 1268 . 1 1 279 279 ASP CB C 13 38.98 0.2 . 1 . . . . 279 ASP CB . 19004 1 1269 . 1 1 279 279 ASP N N 15 114.93 0.2 . 1 . . . . 279 ASP N . 19004 1 1270 . 1 1 280 280 ALA H H 1 7.48 0.04 . 1 . . . . 280 ALA H . 19004 1 1271 . 1 1 280 280 ALA C C 13 175.26 0.2 . 1 . . . . 280 ALA C . 19004 1 1272 . 1 1 280 280 ALA CA C 13 50.44 0.2 . 1 . . . . 280 ALA CA . 19004 1 1273 . 1 1 280 280 ALA CB C 13 16.88 0.2 . 1 . . . . 280 ALA CB . 19004 1 1274 . 1 1 280 280 ALA N N 15 124.18 0.2 . 1 . . . . 280 ALA N . 19004 1 1275 . 1 1 281 281 PRO C C 13 176.93 0.2 . 1 . . . . 281 PRO C . 19004 1 1276 . 1 1 281 281 PRO CA C 13 62.13 0.2 . 1 . . . . 281 PRO CA . 19004 1 1277 . 1 1 281 281 PRO CB C 13 30.68 0.2 . 1 . . . . 281 PRO CB . 19004 1 1278 . 1 1 282 282 SER H H 1 8.26 0.04 . 1 . . . . 282 SER H . 19004 1 1279 . 1 1 282 282 SER C C 13 170.88 0.2 . 1 . . . . 282 SER C . 19004 1 1280 . 1 1 282 282 SER CA C 13 57.73 0.2 . 1 . . . . 282 SER CA . 19004 1 1281 . 1 1 282 282 SER CB C 13 60.85 0.2 . 1 . . . . 282 SER CB . 19004 1 1282 . 1 1 282 282 SER N N 15 119.30 0.2 . 1 . . . . 282 SER N . 19004 1 1283 . 1 1 283 283 PRO C C 13 175.67 0.2 . 1 . . . . 283 PRO C . 19004 1 1284 . 1 1 283 283 PRO CA C 13 62.96 0.2 . 1 . . . . 283 PRO CA . 19004 1 1285 . 1 1 283 283 PRO CB C 13 31.19 0.2 . 1 . . . . 283 PRO CB . 19004 1 1286 . 1 1 284 284 PHE H H 1 9.02 0.04 . 1 . . . . 284 PHE H . 19004 1 1287 . 1 1 284 284 PHE C C 13 174.91 0.2 . 1 . . . . 284 PHE C . 19004 1 1288 . 1 1 284 284 PHE CA C 13 53.75 0.2 . 1 . . . . 284 PHE CA . 19004 1 1289 . 1 1 284 284 PHE CB C 13 39.40 0.2 . 1 . . . . 284 PHE CB . 19004 1 1290 . 1 1 284 284 PHE N N 15 124.90 0.2 . 1 . . . . 284 PHE N . 19004 1 1291 . 1 1 285 285 ILE H H 1 7.84 0.04 . 1 . . . . 285 ILE H . 19004 1 1292 . 1 1 285 285 ILE C C 13 176.69 0.2 . 1 . . . . 285 ILE C . 19004 1 1293 . 1 1 285 285 ILE CA C 13 58.72 0.2 . 1 . . . . 285 ILE CA . 19004 1 1294 . 1 1 285 285 ILE CB C 13 36.62 0.2 . 1 . . . . 285 ILE CB . 19004 1 1295 . 1 1 285 285 ILE N N 15 120.47 0.2 . 1 . . . . 285 ILE N . 19004 1 1296 . 1 1 286 286 PHE H H 1 9.77 0.04 . 1 . . . . 286 PHE H . 19004 1 1297 . 1 1 286 286 PHE C C 13 177.03 0.2 . 1 . . . . 286 PHE C . 19004 1 1298 . 1 1 286 286 PHE CA C 13 58.82 0.2 . 1 . . . . 286 PHE CA . 19004 1 1299 . 1 1 286 286 PHE CB C 13 38.90 0.2 . 1 . . . . 286 PHE CB . 19004 1 1300 . 1 1 286 286 PHE N N 15 130.06 0.2 . 1 . . . . 286 PHE N . 19004 1 1301 . 1 1 287 287 LYS H H 1 8.61 0.04 . 1 . . . . 287 LYS H . 19004 1 1302 . 1 1 287 287 LYS C C 13 176.82 0.2 . 1 . . . . 287 LYS C . 19004 1 1303 . 1 1 287 287 LYS CA C 13 54.76 0.2 . 1 . . . . 287 LYS CA . 19004 1 1304 . 1 1 287 287 LYS CB C 13 33.17 0.2 . 1 . . . . 287 LYS CB . 19004 1 1305 . 1 1 287 287 LYS N N 15 123.70 0.2 . 1 . . . . 287 LYS N . 19004 1 1306 . 1 1 288 288 THR H H 1 8.55 0.04 . 1 . . . . 288 THR H . 19004 1 1307 . 1 1 288 288 THR C C 13 178.49 0.2 . 1 . . . . 288 THR C . 19004 1 1308 . 1 1 288 288 THR CA C 13 59.76 0.2 . 1 . . . . 288 THR CA . 19004 1 1309 . 1 1 288 288 THR CB C 13 70.13 0.2 . 1 . . . . 288 THR CB . 19004 1 1310 . 1 1 288 288 THR N N 15 110.65 0.2 . 1 . . . . 288 THR N . 19004 1 1311 . 1 1 289 289 LEU H H 1 9.46 0.04 . 1 . . . . 289 LEU H . 19004 1 1312 . 1 1 289 289 LEU C C 13 180.66 0.2 . 1 . . . . 289 LEU C . 19004 1 1313 . 1 1 289 289 LEU CA C 13 58.74 0.2 . 1 . . . . 289 LEU CA . 19004 1 1314 . 1 1 289 289 LEU CB C 13 38.81 0.2 . 1 . . . . 289 LEU CB . 19004 1 1315 . 1 1 289 289 LEU N N 15 122.25 0.2 . 1 . . . . 289 LEU N . 19004 1 1316 . 1 1 290 290 GLU H H 1 8.95 0.04 . 1 . . . . 290 GLU H . 19004 1 1317 . 1 1 290 290 GLU C C 13 180.81 0.2 . 1 . . . . 290 GLU C . 19004 1 1318 . 1 1 290 290 GLU CA C 13 59.09 0.2 . 1 . . . . 290 GLU CA . 19004 1 1319 . 1 1 290 290 GLU CB C 13 28.48 0.2 . 1 . . . . 290 GLU CB . 19004 1 1320 . 1 1 290 290 GLU N N 15 120.60 0.2 . 1 . . . . 290 GLU N . 19004 1 1321 . 1 1 291 291 GLU H H 1 7.94 0.04 . 1 . . . . 291 GLU H . 19004 1 1322 . 1 1 291 291 GLU C C 13 178.55 0.2 . 1 . . . . 291 GLU C . 19004 1 1323 . 1 1 291 291 GLU CA C 13 58.33 0.2 . 1 . . . . 291 GLU CA . 19004 1 1324 . 1 1 291 291 GLU CB C 13 29.37 0.2 . 1 . . . . 291 GLU CB . 19004 1 1325 . 1 1 291 291 GLU N N 15 121.01 0.2 . 1 . . . . 291 GLU N . 19004 1 1326 . 1 1 292 292 GLN H H 1 7.48 0.04 . 1 . . . . 292 GLN H . 19004 1 1327 . 1 1 292 292 GLN C C 13 175.57 0.2 . 1 . . . . 292 GLN C . 19004 1 1328 . 1 1 292 292 GLN CA C 13 55.67 0.2 . 1 . . . . 292 GLN CA . 19004 1 1329 . 1 1 292 292 GLN CB C 13 31.35 0.2 . 1 . . . . 292 GLN CB . 19004 1 1330 . 1 1 292 292 GLN N N 15 116.90 0.2 . 1 . . . . 292 GLN N . 19004 1 1331 . 1 1 293 293 GLY H H 1 7.79 0.04 . 1 . . . . 293 GLY H . 19004 1 1332 . 1 1 293 293 GLY C C 13 174.27 0.2 . 1 . . . . 293 GLY C . 19004 1 1333 . 1 1 293 293 GLY CA C 13 45.04 0.2 . 1 . . . . 293 GLY CA . 19004 1 1334 . 1 1 293 293 GLY N N 15 108.29 0.2 . 1 . . . . 293 GLY N . 19004 1 1335 . 1 1 294 294 LEU H H 1 7.66 0.04 . 1 . . . . 294 LEU H . 19004 1 1336 . 1 1 294 294 LEU C C 13 175.90 0.2 . 1 . . . . 294 LEU C . 19004 1 1337 . 1 1 294 294 LEU CA C 13 53.40 0.2 . 1 . . . . 294 LEU CA . 19004 1 1338 . 1 1 294 294 LEU CB C 13 40.31 0.2 . 1 . . . . 294 LEU CB . 19004 1 1339 . 1 1 294 294 LEU N N 15 122.07 0.2 . 1 . . . . 294 LEU N . 19004 1 1340 . 1 1 295 295 HIS H H 1 8.10 0.04 . 1 . . . . 295 HIS H . 19004 1 1341 . 1 1 295 295 HIS C C 13 174.60 0.2 . 1 . . . . 295 HIS C . 19004 1 1342 . 1 1 295 295 HIS CA C 13 54.90 0.2 . 1 . . . . 295 HIS CA . 19004 1 1343 . 1 1 295 295 HIS CB C 13 29.43 0.2 . 1 . . . . 295 HIS CB . 19004 1 1344 . 1 1 295 295 HIS N N 15 120.77 0.2 . 1 . . . . 295 HIS N . 19004 1 1345 . 1 1 296 296 HIS H H 1 8.65 0.04 . 1 . . . . 296 HIS H . 19004 1 1346 . 1 1 296 296 HIS C C 13 174.26 0.2 . 1 . . . . 296 HIS C . 19004 1 1347 . 1 1 296 296 HIS CA C 13 55.31 0.2 . 1 . . . . 296 HIS CA . 19004 1 1348 . 1 1 296 296 HIS CB C 13 29.69 0.2 . 1 . . . . 296 HIS CB . 19004 1 1349 . 1 1 296 296 HIS N N 15 122.28 0.2 . 1 . . . . 296 HIS N . 19004 1 1350 . 1 1 297 297 HIS H H 1 8.22 0.04 . 1 . . . . 297 HIS H . 19004 1 1351 . 1 1 297 297 HIS C C 13 178.89 0.2 . 1 . . . . 297 HIS C . 19004 1 1352 . 1 1 297 297 HIS CA C 13 56.71 0.2 . 1 . . . . 297 HIS CA . 19004 1 1353 . 1 1 297 297 HIS CB C 13 29.07 0.2 . 1 . . . . 297 HIS CB . 19004 1 1354 . 1 1 297 297 HIS N N 15 125.75 0.2 . 1 . . . . 297 HIS N . 19004 1 stop_ save_