data_17415 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17415 _Entry.Title ; Reduced and CO-bound cytochrome P450cam (CYP101A1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-19 _Entry.Accession_date 2011-01-19 _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 Thomas Pochapsky . C. . 17415 2 Susan Pochapsky . S. . 17415 3 Marina Dang . . . 17415 4 Eliana Asciutto . . . 17415 5 Jeffry Madura . . . 17415 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17415 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID metalloenzyme . 17415 monooxygenase . 17415 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17415 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 596 17415 '15N chemical shifts' 295 17415 '1H chemical shifts' 298 17415 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 3 . . 2011-04-01 2011-01-19 update BMRB 'update audit loop' 17415 2 . . 2011-03-24 2011-01-19 update BMRB 'update entry citation' 17415 1 . . 2011-02-23 2011-01-19 original author 'original release' 17415 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5759 'oxidized CYP101A1' 17415 PDB 2LQD 'BMRB Entry Tracking System' 17415 PDB 3CPP 'reduced and CO-bound CYP101A1' 17415 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17415 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21265500 _Citation.Full_citation . _Citation.Title 'Experimentally Restrained Molecular Dynamics Simulations for Characterizing the Open States of Cytochrome P450(cam).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 50 _Citation.Journal_issue 10 _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 1664 _Citation.Page_last 1671 _Citation.Year 2011 _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 Eliana Asciutto . K. . 17415 1 2 Marina Dang . . . 17415 1 3 'Susan Sondej' Pochapsky . . . 17415 1 4 Jeffry Madura . D. . 17415 1 5 Thomas Pochapsky . C. . 17415 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17415 _Assembly.ID 1 _Assembly.Name 'cytochrome P450cam' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 'cytochrome P450cam' 1 $entity_1 A . yes native no no . . . 17415 1 2 CAM 3 $CAM B . yes native no no . . . 17415 1 3 'PROTOPORPHYRIN IX CONTAINING FE' 2 $HEM C . yes native no no . . . 17415 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 17415 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TETIQSNANLAPLPPHVPEH LVFDFDMYNPSNLSAGVQEA WAVLQESNVPDLVWTRCNGG HWIATRGQLIREAYEDYRHF SSECPFIPREAGEAYDFIPT SMDPPEQRQFRALANQVVGM PVVDKLENRIQELACSLIES LRPQGQCNFTEDYAEPFPIR IFMLLAGLPEEDIPHLKYLT DQMTRPDGSMTFAEAKEALY DYLIPIIEQRRQKPGTDAIS IVANGQVNGRPITSDEAKRM CGLLLVGGLDTVVNFLSFSM EFLAKSPEHRQELIERPERI PAACEELLRRFSLVADGRIL TSDYEFHGVQLKKGDQILLP QMLSGLDERENACPMHVDFS RQKVSHTTFGHGSHLCLGQH LARREIIVTLKEWLTRIPDF SIAPGAQIQHKSGIVSGVQA LPLVWDPATTKAV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 413 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 45643.371 _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 16753 . P450cam . . . . . 100.00 414 99.76 100.00 0.00e+00 . . . . 17415 1 2 no BMRB 19038 . entity_1 . . . . . 97.82 404 99.75 100.00 0.00e+00 . . . . 17415 1 3 no BMRB 19740 . CYP101 . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 4 no BMRB 19763 . CYP101 . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 5 no PDB 1AKD . "Cytochrome P450cam From Pseudomonas Putida, Complexed With 1s-Camphor" . . . . . 100.00 414 99.76 100.00 0.00e+00 . . . . 17415 1 6 no PDB 1C8J . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96F)" . . . . . 100.00 414 99.52 100.00 0.00e+00 . . . . 17415 1 7 no PDB 1CP4 . "Formation, Crystal Structure, And Rearrangement Of A Cytochrome P450-Cam Iron-Phenyl Complex" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 8 no PDB 1DZ4 . "Ferric P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.76 100.00 0.00e+00 . . . . 17415 1 9 no PDB 1DZ6 . "Ferrous P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.76 100.00 0.00e+00 . . . . 17415 1 10 no PDB 1DZ8 . "Oxygen Complex Of P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.76 100.00 0.00e+00 . . . . 17415 1 11 no PDB 1DZ9 . "Putative Oxo Complex Of P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.76 100.00 0.00e+00 . . . . 17415 1 12 no PDB 1GEB . "X-Ray Crystal Structure And Catalytic Properties Of Thr252ile Mutant Of Cytochrome P450cam" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 17415 1 13 no PDB 1GEK . "Structural Characterization Of N-Butyl-Isocyanide Complexes Of Cytochromes P450nor And P450cam" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 1 14 no PDB 1GEM . "Structural Characterization Of N-Butyl-Isocyanide Complexes Of Cytochromes P450nor And P450cam" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 1 15 no PDB 1GJM . "Covalent Attachment Of An Electroactive Sulphydryl Reagent In The Active Site Of Cytochrome P450cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 16 no PDB 1IWI . "Putidaredoxin-Binding Stablilizes An Active Conformer Of Cytochrome P450cam In Its Reduced State; Crystal Structure Of Cytochro" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 1 17 no PDB 1IWJ . "Putidaredoxin-Binding Stablilizes An Active Conformer Of Cytochrome P450cam In Its Reduced State; Crystal Structure Of Mutant(1" . . . . . 100.00 415 99.76 100.00 0.00e+00 . . . . 17415 1 18 no PDB 1IWK . "Putidaredoxin-Binding Stablilizes An Active Conformer Of Cytochrome P450cam In Its Reduced State; Crystal Structure Of Mutant(1" . . . . . 100.00 415 99.76 100.00 0.00e+00 . . . . 17415 1 19 no PDB 1J51 . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96FV247LC334A) WITH 1,3,5-Trichlorobenzene" . . . . . 100.00 414 99.03 99.76 0.00e+00 . . . . 17415 1 20 no PDB 1K2O . "Cytochrome P450cam With Bound Bis(2,2'-Bipyridine)-(5-Methyl-2-2'- Bipyridine)-C2-Adamantane Ruthenium (Ii)" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 21 no PDB 1LWL . "Crystal Structure Of Cytochrome P450-Cam With A Fluorescent Probe D-8-Ad (Adamantane-1-Carboxylic Acid-5-Dimethylamino- Naphtha" . . . . . 100.00 417 100.00 100.00 0.00e+00 . . . . 17415 1 22 no PDB 1MPW . "Molecular Recognition In (+)-a-pinene Oxidation By Cytochrome P450cam" . . . . . 100.00 414 99.03 99.76 0.00e+00 . . . . 17415 1 23 no PDB 1NOO . "Cytochrome P450-Cam Complexed With 5-Exo-Hydroxycamphor" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 24 no PDB 1O76 . "Cyanide Complex Of P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.76 100.00 0.00e+00 . . . . 17415 1 25 no PDB 1P2Y . "Crystal Structure Of Cytochrome P450cam In Complex With (S)- (-)-Nicotine" . . . . . 100.00 420 100.00 100.00 0.00e+00 . . . . 17415 1 26 no PDB 1P7R . "Crystal Structure Of Reduced, Co-Exposed Complex Of Cytochrome P450cam With (S)-(-)-Nicotine" . . . . . 100.00 420 100.00 100.00 0.00e+00 . . . . 17415 1 27 no PDB 1PHA . "Inhibitor-Induced Conformational Change In Cytochrome P450- Cam" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 28 no PDB 1PHB . "Inhibitor-Induced Conformational Change In Cytochrome P450- Cam" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 29 no PDB 1PHC . "Crystal Structure Of Substrate-free Pseudomonas Putida Cytochrome P450" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 30 no PDB 1PHD . "Crystal Structures Of Metyrapone-And Phenylimidazole-Inhibited Complexes Of Cytochrome P450-Cam" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 31 no PDB 1PHE . "Crystal Structures Of Metyrapone-And Phenylimidazole-Inhibited Complexes Of Cytochrome P450-Cam" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 32 no PDB 1PHF . "Crystal Structures Of Metyrapone-And Phenylimidazole- Inhibited Complexes Of Cytochrome P450-Cam" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 33 no PDB 1PHG . "Crystal Structures Of Metyrapone-And Phenylimidazole- Inhibited Complexes Of Cytochrome P450-Cam" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 34 no PDB 1QMQ . "Optical Detection Of Cytochrome P450 By Sensitizer-Linked Substrates" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 35 no PDB 1RE9 . "Crystal Structure Of Cytochrome P450-cam With A Fluorescent Probe D-8-ad (adamantane-1-carboxylic Acid-5-dimethylamino- Naphtha" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 36 no PDB 1RF9 . "Crystal Structure Of Cytochrome P450-Cam With A Fluorescent Probe D-4-Ad (Adamantane-1-Carboxylic Acid-5-Dimethylamino- Naphtha" . . . . . 100.00 417 100.00 100.00 0.00e+00 . . . . 17415 1 37 no PDB 1T85 . "Crystal Structure Of The Ferrous Co-Bound Cytochrome P450cam Mutant (L358pC334A)" . . . . . 100.00 414 99.52 99.52 0.00e+00 . . . . 17415 1 38 no PDB 1T86 . "Crystal Structure Of The Ferrous Cytochrome P450cam Mutant (L358pC334A)" . . . . . 100.00 414 99.52 99.52 0.00e+00 . . . . 17415 1 39 no PDB 1T87 . "Crystal Structure Of The Ferrous Co-Bound Cytochrome P450cam (C334a)" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 40 no PDB 1T88 . "Crystal Structure Of The Ferrous Cytochrome P450cam (C334a)" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 41 no PDB 1UYU . "Xenon Complex Of Wildtype P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.76 100.00 0.00e+00 . . . . 17415 1 42 no PDB 1YRC . "X-ray Crystal Structure Of Hydrogenated Cytochrome P450cam" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 43 no PDB 1YRD . "X-Ray Crystal Structure Of Perdeuterated Cytochrome P450cam" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 44 no PDB 2A1M . "Crystal Structure Of Ferrous Dioxygen Complex Of Wild-Type Cytochrome P450cam" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 17415 1 45 no PDB 2A1N . "Crystal Structure Of Ferrous Dioxygen Complex Of D251n Cytochrome P450cam" . . . . . 100.00 415 99.52 99.76 0.00e+00 . . . . 17415 1 46 no PDB 2A1O . "Crystal Structure Of Ferrous Dioxygen Complex Of T252a Cytochrome P450cam" . . . . . 100.00 415 99.52 99.52 0.00e+00 . . . . 17415 1 47 no PDB 2CP4 . "Crystal Structure Of The Cytochrome P450-Cam Active Site Mutant Thr252ala" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 48 no PDB 2CPP . "High-Resolution Crystal Structure Of Cytochrome P450-Cam" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 49 no PDB 2FE6 . "P450cam From Pseudomonas Putida Reconstituted With Manganic Protoporphyrin Ix" . . . . . 100.00 421 100.00 100.00 0.00e+00 . . . . 17415 1 50 no PDB 2FER . "P450cam From Pseudomonas Putida Reconstituted With Manganic Protoporphyrin Ix" . . . . . 98.06 411 100.00 100.00 0.00e+00 . . . . 17415 1 51 no PDB 2FEU . "P450cam From Pseudomonas Putida Reconstituted With Manganic Protoporphyrin Ix" . . . . . 98.06 411 100.00 100.00 0.00e+00 . . . . 17415 1 52 no PDB 2FRZ . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96FV247LC334A)" . . . . . 100.00 414 99.03 99.76 0.00e+00 . . . . 17415 1 53 no PDB 2GQX . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96FL244AV247LC334A) WITH PENTACHLOROBENZENE" . . . . . 98.06 405 98.77 99.51 0.00e+00 . . . . 17415 1 54 no PDB 2GR6 . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96FL244AV247LC334A)" . . . . . 98.06 405 98.77 99.51 0.00e+00 . . . . 17415 1 55 no PDB 2H7Q . "Cytochrome P450cam Complexed With Imidazole" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 56 no PDB 2H7R . "L244a Mutant Of Cytochrome P450cam Complexed With Imidazole" . . . . . 100.00 414 99.52 99.52 0.00e+00 . . . . 17415 1 57 no PDB 2H7S . "L244a Mutant Of Cytochrome P450cam" . . . . . 100.00 414 99.52 99.52 0.00e+00 . . . . 17415 1 58 no PDB 2L8M . "Reduced And Co-Bound Cytochrome P450cam (Cyp101a1)" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 1 59 no PDB 2LQD . "Reduced And Co-Bound Cytochrome P450cam (Cyp101a1)" . . . . . 98.06 405 100.00 100.00 0.00e+00 . . . . 17415 1 60 no PDB 2M56 . "The Structure Of The Complex Of Cytochrome P450cam And Its Electron Donor Putidaredoxin Determined By Paramagnetic Nmr Spectros" . . . . . 97.82 404 99.75 100.00 0.00e+00 . . . . 17415 1 61 no PDB 2QBL . "Crystal Structure Of Ferric G248t Cytochrome P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 17415 1 62 no PDB 2QBM . "Crystal Structure Of The P450cam G248t Mutant In The Cyanide Bound State" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 17415 1 63 no PDB 2QBN . "Crystal Structure Of Ferric G248v Cytochrome P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 17415 1 64 no PDB 2QBO . "Crystal Structure Of The P450cam G248v Mutant In The Cyanide Bound State" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 17415 1 65 no PDB 2Z97 . "Crystal Structure Of Ferric Cytochrome P450cam Reconstituted With 7- Methyl-7-Depropionated Hemin" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 1 66 no PDB 2ZAW . "Crystal Structure Of Ferric Cytochrome P450cam Reconstituted With 6- Methyl-6-Depropionated Hemin" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 1 67 no PDB 2ZAX . "Crystal Structure Of Ferric Cytochrome P450cam" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 1 68 no PDB 2ZUH . "Crystal Structure Of Camphor-Soaked Ferric Cytochrome P450cam Mutant (D297a)" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 17415 1 69 no PDB 2ZUI . "Crystal Structure Of Camphor-Soaked Ferric Cytochrome P450cam Mutant (D297n)" . . . . . 100.00 415 99.76 100.00 0.00e+00 . . . . 17415 1 70 no PDB 2ZUJ . "Crystal Structure Of Camphor-Soaked Ferric Cytochrome P450cam Mutant(D297l)" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 17415 1 71 no PDB 2ZWT . "Crystal Structure Of Ferric Cytochrome P450cam" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 1 72 no PDB 2ZWU . "Crystal Structure Of Camphor Soaked Ferric Cytochrome P450cam" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 1 73 no PDB 3CP4 . "Crystal Structure Of The Cytochrome P450-Cam Active Site Mutant Thr252ala" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 74 no PDB 3CPP . "Crystal Structure Of The Carbon Monoxy-Substrate-Cytochrome P450-Cam Ternary Complex" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 75 no PDB 3FWF . "Ferric Camphor Bound Cytochrome P450cam Containing A Selenocysteine As The 5th Heme Ligand, Monoclinic Crystal Form" . . . . . 98.06 405 99.01 99.51 0.00e+00 . . . . 17415 1 76 no PDB 3FWG . "Ferric Camphor Bound Cytochrome P450cam, Arg365leu, Glu366gln, Monoclinic Crystal Form" . . . . . 98.06 405 99.26 99.75 0.00e+00 . . . . 17415 1 77 no PDB 3FWI . "Ferric Camphor Bound Cytochrome P450cam Containing A Selenocysteine As The 5th Heme Ligand, Tetragonal Crystal Form" . . . . . 98.06 405 99.26 99.51 0.00e+00 . . . . 17415 1 78 no PDB 3FWJ . "Ferric Camphor Bound Cytochrome P450cam Containing A Selenocysteine As The 5th Heme Ligand, Orthorombic Crystal Form" . . . . . 98.06 405 99.26 99.51 0.00e+00 . . . . 17415 1 79 no PDB 3L61 . "Crystal Structure Of Substrate-Free P450cam At 200 Mm [k+]" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 80 no PDB 3L62 . "Crystal Structure Of Substrate-Free P450cam At Low [k+]" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 81 no PDB 3L63 . "Crystal Structure Of Camphor-Bound P450cam At Low [k+]" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 82 no PDB 3OIA . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac1-C8gluetg-Bio" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 83 no PDB 3OL5 . "Crystal Structure Of Cytochrome P450cam Crystallized With A Tethered Substrate Analog 3oh-Adac1-C8-Dans" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 84 no PDB 3P6M . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac1-C8-Dans" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 85 no PDB 3P6N . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac1-C8-Dans" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 86 no PDB 3P6O . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac1-Etg-Dans" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 87 no PDB 3P6P . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac1-C6-Bio" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 88 no PDB 3P6Q . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac2-Etg-Boc" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 89 no PDB 3P6R . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog 3oh-Adac1-Etg-Boc" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 90 no PDB 3P6S . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac2-C8-Dans" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 91 no PDB 3P6T . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac2-C8-Dans" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 92 no PDB 3P6U . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac3-C6-Dans" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 93 no PDB 3P6V . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog 3et-Adac1-Etg-Boc" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 94 no PDB 3P6W . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac3-Etg-Boc" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 95 no PDB 3P6X . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac3-C8-Dans" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 96 no PDB 3W9C . "Crystal Structure Of The Electron Transfer Complex Of Cytochrome P450cam With Putidaredoxin" . . . . . 100.00 416 99.27 99.27 0.00e+00 . . . . 17415 1 97 no PDB 3WRH . "Crystal Structure Of P450cam" . . . . . 100.00 421 100.00 100.00 0.00e+00 . . . . 17415 1 98 no PDB 3WRI . "Crystal Structure Of P450cam" . . . . . 100.00 421 100.00 100.00 0.00e+00 . . . . 17415 1 99 no PDB 3WRJ . "Crystal Structure Of P450cam" . . . . . 100.00 421 100.00 100.00 0.00e+00 . . . . 17415 1 100 no PDB 3WRK . "Crystal Structure Of P450cam" . . . . . 100.00 421 100.00 100.00 0.00e+00 . . . . 17415 1 101 no PDB 3WRL . "Crystal Structure Of P450cam" . . . . . 100.00 421 100.00 100.00 0.00e+00 . . . . 17415 1 102 no PDB 3WRM . "Crystal Structure Of P450cam" . . . . . 100.00 421 100.00 100.00 0.00e+00 . . . . 17415 1 103 no PDB 4CP4 . "Crystal Structure Of The Cytochrome P450-Cam Active Site Mutant Thr252ala" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 104 no PDB 4CPP . "Crystal Structures Of Cytochrome P450-Cam Complexed With Camphane, Thiocamphor, And Adamantane: Factors Controlling P450 Substr" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 105 no PDB 4EK1 . "Crystal Structure Of Electron-Spin Labeled Cytochrome P450cam" . . . . . 100.00 414 98.31 98.31 0.00e+00 . . . . 17415 1 106 no PDB 4G3R . "Crystal Structure Of Nitrosyl Cytochrome P450cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 17415 1 107 no PDB 4JWS . "Crystal Structure Of Cytochrome P450cam-putidaredoxin Complex" . . . . . 100.00 415 98.55 98.55 0.00e+00 . . . . 17415 1 108 no PDB 4JWU . "Crystal Structure Of Cytochrome P450cam-putidaredoxin Complex" . . . . . 100.00 415 98.55 98.55 0.00e+00 . . . . 17415 1 109 no PDB 4JX1 . "Crystal Structure Of Reduced Cytochrome P450cam-putidaredoxin Complex Bound To Camphor And 5-exo-hydroxycamphor" . . . . . 100.00 415 98.55 98.55 0.00e+00 . . . . 17415 1 110 no PDB 4KKY . "Crystal Structure Of N-(1-pyrene)acetamide Labeled P450cam In Substrate Bound Form" . . . . . 99.76 413 98.54 98.54 0.00e+00 . . . . 17415 1 111 no PDB 4L49 . "Structure Of L358a Mutant Of P450cam Bound To Camphor" . . . . . 100.00 415 99.52 99.52 0.00e+00 . . . . 17415 1 112 no PDB 4L4A . "Structure Of L358a/k178g Mutant Of P450cam Bound To Camphor" . . . . . 100.00 415 99.27 99.27 0.00e+00 . . . . 17415 1 113 no PDB 4L4B . "Structure Of L358a/k178g/d182n Mutant Of P450cam Bound To Camphor" . . . . . 100.00 415 99.03 99.27 0.00e+00 . . . . 17415 1 114 no PDB 4L4C . "Structure Of L358p/k178g Mutant Of P450cam Bound To Camphor" . . . . . 100.00 415 99.27 99.27 0.00e+00 . . . . 17415 1 115 no PDB 4L4D . "Structure Of Cyanide And Camphor Bound P450cam Mutant L358a" . . . . . 100.00 415 99.52 99.52 0.00e+00 . . . . 17415 1 116 no PDB 4L4E . "Structure Of Cyanide And Camphor Bound P450cam Mutant L358a/k178g" . . . . . 100.00 415 99.27 99.27 0.00e+00 . . . . 17415 1 117 no PDB 4L4F . "Structure Of Cyanide And Camphor Bound P450cam Mutant L358a/k178g/d182n" . . . . . 100.00 415 99.03 99.27 0.00e+00 . . . . 17415 1 118 no PDB 4L4G . "Structure Of Cyanide And Camphor Bound P450cam Mutant L358p/k178g" . . . . . 100.00 415 99.27 99.27 0.00e+00 . . . . 17415 1 119 no PDB 5CP4 . "Cryogenic Structure Of P450cam" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 120 no PDB 5CPP . "The Structural Basis For Substrate-Induced Changes In Redox Potential And Spin Equilibrium In Cytochrome P-450(Cam)" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 121 no PDB 6CP4 . "P450cam D251n Mutant" . . . . . 100.00 414 99.76 100.00 0.00e+00 . . . . 17415 1 122 no PDB 6CPP . "Crystal Structures Of Cytochrome P450-Cam Complexed With Camphane, Thiocamphor, And Adamantane: Factors Controlling P450 Substr" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 123 no PDB 7CPP . "The Structural Basis For Substrate-Induced Changes In Redox Potential And Spin Equilibrium In Cytochrome P450(Cam)" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 124 no PDB 8CPP . "Crystal Structures Of Cytochrome P450-Cam Complexed With Camphane, Thiocamphor, And Adamantane: Factors Controlling P450 Substr" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 17415 1 125 no DBJ BAN13286 . "cytochrome P-450cam [Pseudomonas putida]" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 1 126 no GB AAA25760 . "cytochrome P-450-cam [Pseudomonas putida]" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 1 127 no REF WP_032492633 . "camphor 5-monooxygenase [Pseudomonas putida]" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 1 128 no REF YP_009083112 . "cytochrome P-450cam [Pseudomonas putida]" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 1 129 no SP P00183 . "RecName: Full=Camphor 5-monooxygenase; AltName: Full=Cytochrome P450-cam; Short=Cytochrome P450cam" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 17415 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 2 THR . 17415 1 2 3 GLU . 17415 1 3 4 THR . 17415 1 4 5 ILE . 17415 1 5 6 GLN . 17415 1 6 7 SER . 17415 1 7 8 ASN . 17415 1 8 9 ALA . 17415 1 9 10 ASN . 17415 1 10 11 LEU . 17415 1 11 12 ALA . 17415 1 12 13 PRO . 17415 1 13 14 LEU . 17415 1 14 15 PRO . 17415 1 15 16 PRO . 17415 1 16 17 HIS . 17415 1 17 18 VAL . 17415 1 18 19 PRO . 17415 1 19 20 GLU . 17415 1 20 21 HIS . 17415 1 21 22 LEU . 17415 1 22 23 VAL . 17415 1 23 24 PHE . 17415 1 24 25 ASP . 17415 1 25 26 PHE . 17415 1 26 27 ASP . 17415 1 27 28 MET . 17415 1 28 29 TYR . 17415 1 29 30 ASN . 17415 1 30 31 PRO . 17415 1 31 32 SER . 17415 1 32 33 ASN . 17415 1 33 34 LEU . 17415 1 34 35 SER . 17415 1 35 36 ALA . 17415 1 36 37 GLY . 17415 1 37 38 VAL . 17415 1 38 39 GLN . 17415 1 39 40 GLU . 17415 1 40 41 ALA . 17415 1 41 42 TRP . 17415 1 42 43 ALA . 17415 1 43 44 VAL . 17415 1 44 45 LEU . 17415 1 45 46 GLN . 17415 1 46 47 GLU . 17415 1 47 48 SER . 17415 1 48 49 ASN . 17415 1 49 50 VAL . 17415 1 50 51 PRO . 17415 1 51 52 ASP . 17415 1 52 53 LEU . 17415 1 53 54 VAL . 17415 1 54 55 TRP . 17415 1 55 56 THR . 17415 1 56 57 ARG . 17415 1 57 58 CYS . 17415 1 58 59 ASN . 17415 1 59 60 GLY . 17415 1 60 61 GLY . 17415 1 61 62 HIS . 17415 1 62 63 TRP . 17415 1 63 64 ILE . 17415 1 64 65 ALA . 17415 1 65 66 THR . 17415 1 66 67 ARG . 17415 1 67 68 GLY . 17415 1 68 69 GLN . 17415 1 69 70 LEU . 17415 1 70 71 ILE . 17415 1 71 72 ARG . 17415 1 72 73 GLU . 17415 1 73 74 ALA . 17415 1 74 75 TYR . 17415 1 75 76 GLU . 17415 1 76 77 ASP . 17415 1 77 78 TYR . 17415 1 78 79 ARG . 17415 1 79 80 HIS . 17415 1 80 81 PHE . 17415 1 81 82 SER . 17415 1 82 83 SER . 17415 1 83 84 GLU . 17415 1 84 85 CYS . 17415 1 85 86 PRO . 17415 1 86 87 PHE . 17415 1 87 88 ILE . 17415 1 88 89 PRO . 17415 1 89 90 ARG . 17415 1 90 91 GLU . 17415 1 91 92 ALA . 17415 1 92 93 GLY . 17415 1 93 94 GLU . 17415 1 94 95 ALA . 17415 1 95 96 TYR . 17415 1 96 97 ASP . 17415 1 97 98 PHE . 17415 1 98 99 ILE . 17415 1 99 100 PRO . 17415 1 100 101 THR . 17415 1 101 102 SER . 17415 1 102 103 MET . 17415 1 103 104 ASP . 17415 1 104 105 PRO . 17415 1 105 106 PRO . 17415 1 106 107 GLU . 17415 1 107 108 GLN . 17415 1 108 109 ARG . 17415 1 109 110 GLN . 17415 1 110 111 PHE . 17415 1 111 112 ARG . 17415 1 112 113 ALA . 17415 1 113 114 LEU . 17415 1 114 115 ALA . 17415 1 115 116 ASN . 17415 1 116 117 GLN . 17415 1 117 118 VAL . 17415 1 118 119 VAL . 17415 1 119 120 GLY . 17415 1 120 121 MET . 17415 1 121 122 PRO . 17415 1 122 123 VAL . 17415 1 123 124 VAL . 17415 1 124 125 ASP . 17415 1 125 126 LYS . 17415 1 126 127 LEU . 17415 1 127 128 GLU . 17415 1 128 129 ASN . 17415 1 129 130 ARG . 17415 1 130 131 ILE . 17415 1 131 132 GLN . 17415 1 132 133 GLU . 17415 1 133 134 LEU . 17415 1 134 135 ALA . 17415 1 135 136 CYS . 17415 1 136 137 SER . 17415 1 137 138 LEU . 17415 1 138 139 ILE . 17415 1 139 140 GLU . 17415 1 140 141 SER . 17415 1 141 142 LEU . 17415 1 142 143 ARG . 17415 1 143 144 PRO . 17415 1 144 145 GLN . 17415 1 145 146 GLY . 17415 1 146 147 GLN . 17415 1 147 148 CYS . 17415 1 148 149 ASN . 17415 1 149 150 PHE . 17415 1 150 151 THR . 17415 1 151 152 GLU . 17415 1 152 153 ASP . 17415 1 153 154 TYR . 17415 1 154 155 ALA . 17415 1 155 156 GLU . 17415 1 156 157 PRO . 17415 1 157 158 PHE . 17415 1 158 159 PRO . 17415 1 159 160 ILE . 17415 1 160 161 ARG . 17415 1 161 162 ILE . 17415 1 162 163 PHE . 17415 1 163 164 MET . 17415 1 164 165 LEU . 17415 1 165 166 LEU . 17415 1 166 167 ALA . 17415 1 167 168 GLY . 17415 1 168 169 LEU . 17415 1 169 170 PRO . 17415 1 170 171 GLU . 17415 1 171 172 GLU . 17415 1 172 173 ASP . 17415 1 173 174 ILE . 17415 1 174 175 PRO . 17415 1 175 176 HIS . 17415 1 176 177 LEU . 17415 1 177 178 LYS . 17415 1 178 179 TYR . 17415 1 179 180 LEU . 17415 1 180 181 THR . 17415 1 181 182 ASP . 17415 1 182 183 GLN . 17415 1 183 184 MET . 17415 1 184 185 THR . 17415 1 185 186 ARG . 17415 1 186 187 PRO . 17415 1 187 188 ASP . 17415 1 188 189 GLY . 17415 1 189 190 SER . 17415 1 190 191 MET . 17415 1 191 192 THR . 17415 1 192 193 PHE . 17415 1 193 194 ALA . 17415 1 194 195 GLU . 17415 1 195 196 ALA . 17415 1 196 197 LYS . 17415 1 197 198 GLU . 17415 1 198 199 ALA . 17415 1 199 200 LEU . 17415 1 200 201 TYR . 17415 1 201 202 ASP . 17415 1 202 203 TYR . 17415 1 203 204 LEU . 17415 1 204 205 ILE . 17415 1 205 206 PRO . 17415 1 206 207 ILE . 17415 1 207 208 ILE . 17415 1 208 209 GLU . 17415 1 209 210 GLN . 17415 1 210 211 ARG . 17415 1 211 212 ARG . 17415 1 212 213 GLN . 17415 1 213 214 LYS . 17415 1 214 215 PRO . 17415 1 215 216 GLY . 17415 1 216 217 THR . 17415 1 217 218 ASP . 17415 1 218 219 ALA . 17415 1 219 220 ILE . 17415 1 220 221 SER . 17415 1 221 222 ILE . 17415 1 222 223 VAL . 17415 1 223 224 ALA . 17415 1 224 225 ASN . 17415 1 225 226 GLY . 17415 1 226 227 GLN . 17415 1 227 228 VAL . 17415 1 228 229 ASN . 17415 1 229 230 GLY . 17415 1 230 231 ARG . 17415 1 231 232 PRO . 17415 1 232 233 ILE . 17415 1 233 234 THR . 17415 1 234 235 SER . 17415 1 235 236 ASP . 17415 1 236 237 GLU . 17415 1 237 238 ALA . 17415 1 238 239 LYS . 17415 1 239 240 ARG . 17415 1 240 241 MET . 17415 1 241 242 CYS . 17415 1 242 243 GLY . 17415 1 243 244 LEU . 17415 1 244 245 LEU . 17415 1 245 246 LEU . 17415 1 246 247 VAL . 17415 1 247 248 GLY . 17415 1 248 249 GLY . 17415 1 249 250 LEU . 17415 1 250 251 ASP . 17415 1 251 252 THR . 17415 1 252 253 VAL . 17415 1 253 254 VAL . 17415 1 254 255 ASN . 17415 1 255 256 PHE . 17415 1 256 257 LEU . 17415 1 257 258 SER . 17415 1 258 259 PHE . 17415 1 259 260 SER . 17415 1 260 261 MET . 17415 1 261 262 GLU . 17415 1 262 263 PHE . 17415 1 263 264 LEU . 17415 1 264 265 ALA . 17415 1 265 266 LYS . 17415 1 266 267 SER . 17415 1 267 268 PRO . 17415 1 268 269 GLU . 17415 1 269 270 HIS . 17415 1 270 271 ARG . 17415 1 271 272 GLN . 17415 1 272 273 GLU . 17415 1 273 274 LEU . 17415 1 274 275 ILE . 17415 1 275 276 GLU . 17415 1 276 277 ARG . 17415 1 277 278 PRO . 17415 1 278 279 GLU . 17415 1 279 280 ARG . 17415 1 280 281 ILE . 17415 1 281 282 PRO . 17415 1 282 283 ALA . 17415 1 283 284 ALA . 17415 1 284 285 CYS . 17415 1 285 286 GLU . 17415 1 286 287 GLU . 17415 1 287 288 LEU . 17415 1 288 289 LEU . 17415 1 289 290 ARG . 17415 1 290 291 ARG . 17415 1 291 292 PHE . 17415 1 292 293 SER . 17415 1 293 294 LEU . 17415 1 294 295 VAL . 17415 1 295 296 ALA . 17415 1 296 297 ASP . 17415 1 297 298 GLY . 17415 1 298 299 ARG . 17415 1 299 300 ILE . 17415 1 300 301 LEU . 17415 1 301 302 THR . 17415 1 302 303 SER . 17415 1 303 304 ASP . 17415 1 304 305 TYR . 17415 1 305 306 GLU . 17415 1 306 307 PHE . 17415 1 307 308 HIS . 17415 1 308 309 GLY . 17415 1 309 310 VAL . 17415 1 310 311 GLN . 17415 1 311 312 LEU . 17415 1 312 313 LYS . 17415 1 313 314 LYS . 17415 1 314 315 GLY . 17415 1 315 316 ASP . 17415 1 316 317 GLN . 17415 1 317 318 ILE . 17415 1 318 319 LEU . 17415 1 319 320 LEU . 17415 1 320 321 PRO . 17415 1 321 322 GLN . 17415 1 322 323 MET . 17415 1 323 324 LEU . 17415 1 324 325 SER . 17415 1 325 326 GLY . 17415 1 326 327 LEU . 17415 1 327 328 ASP . 17415 1 328 329 GLU . 17415 1 329 330 ARG . 17415 1 330 331 GLU . 17415 1 331 332 ASN . 17415 1 332 333 ALA . 17415 1 333 334 CYS . 17415 1 334 335 PRO . 17415 1 335 336 MET . 17415 1 336 337 HIS . 17415 1 337 338 VAL . 17415 1 338 339 ASP . 17415 1 339 340 PHE . 17415 1 340 341 SER . 17415 1 341 342 ARG . 17415 1 342 343 GLN . 17415 1 343 344 LYS . 17415 1 344 345 VAL . 17415 1 345 346 SER . 17415 1 346 347 HIS . 17415 1 347 348 THR . 17415 1 348 349 THR . 17415 1 349 350 PHE . 17415 1 350 351 GLY . 17415 1 351 352 HIS . 17415 1 352 353 GLY . 17415 1 353 354 SER . 17415 1 354 355 HIS . 17415 1 355 356 LEU . 17415 1 356 357 CYS . 17415 1 357 358 LEU . 17415 1 358 359 GLY . 17415 1 359 360 GLN . 17415 1 360 361 HIS . 17415 1 361 362 LEU . 17415 1 362 363 ALA . 17415 1 363 364 ARG . 17415 1 364 365 ARG . 17415 1 365 366 GLU . 17415 1 366 367 ILE . 17415 1 367 368 ILE . 17415 1 368 369 VAL . 17415 1 369 370 THR . 17415 1 370 371 LEU . 17415 1 371 372 LYS . 17415 1 372 373 GLU . 17415 1 373 374 TRP . 17415 1 374 375 LEU . 17415 1 375 376 THR . 17415 1 376 377 ARG . 17415 1 377 378 ILE . 17415 1 378 379 PRO . 17415 1 379 380 ASP . 17415 1 380 381 PHE . 17415 1 381 382 SER . 17415 1 382 383 ILE . 17415 1 383 384 ALA . 17415 1 384 385 PRO . 17415 1 385 386 GLY . 17415 1 386 387 ALA . 17415 1 387 388 GLN . 17415 1 388 389 ILE . 17415 1 389 390 GLN . 17415 1 390 391 HIS . 17415 1 391 392 LYS . 17415 1 392 393 SER . 17415 1 393 394 GLY . 17415 1 394 395 ILE . 17415 1 395 396 VAL . 17415 1 396 397 SER . 17415 1 397 398 GLY . 17415 1 398 399 VAL . 17415 1 399 400 GLN . 17415 1 400 401 ALA . 17415 1 401 402 LEU . 17415 1 402 403 PRO . 17415 1 403 404 LEU . 17415 1 404 405 VAL . 17415 1 405 406 TRP . 17415 1 406 407 ASP . 17415 1 407 408 PRO . 17415 1 408 409 ALA . 17415 1 409 410 THR . 17415 1 410 411 THR . 17415 1 411 412 LYS . 17415 1 412 413 ALA . 17415 1 413 414 VAL . 17415 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 . THR 1 1 17415 1 . GLU 2 2 17415 1 . THR 3 3 17415 1 . ILE 4 4 17415 1 . GLN 5 5 17415 1 . SER 6 6 17415 1 . ASN 7 7 17415 1 . ALA 8 8 17415 1 . ASN 9 9 17415 1 . LEU 10 10 17415 1 . ALA 11 11 17415 1 . PRO 12 12 17415 1 . LEU 13 13 17415 1 . PRO 14 14 17415 1 . PRO 15 15 17415 1 . HIS 16 16 17415 1 . VAL 17 17 17415 1 . PRO 18 18 17415 1 . GLU 19 19 17415 1 . HIS 20 20 17415 1 . LEU 21 21 17415 1 . VAL 22 22 17415 1 . PHE 23 23 17415 1 . ASP 24 24 17415 1 . PHE 25 25 17415 1 . ASP 26 26 17415 1 . MET 27 27 17415 1 . TYR 28 28 17415 1 . ASN 29 29 17415 1 . PRO 30 30 17415 1 . SER 31 31 17415 1 . ASN 32 32 17415 1 . LEU 33 33 17415 1 . SER 34 34 17415 1 . ALA 35 35 17415 1 . GLY 36 36 17415 1 . VAL 37 37 17415 1 . GLN 38 38 17415 1 . GLU 39 39 17415 1 . ALA 40 40 17415 1 . TRP 41 41 17415 1 . ALA 42 42 17415 1 . VAL 43 43 17415 1 . LEU 44 44 17415 1 . GLN 45 45 17415 1 . GLU 46 46 17415 1 . SER 47 47 17415 1 . ASN 48 48 17415 1 . VAL 49 49 17415 1 . PRO 50 50 17415 1 . ASP 51 51 17415 1 . LEU 52 52 17415 1 . VAL 53 53 17415 1 . TRP 54 54 17415 1 . THR 55 55 17415 1 . ARG 56 56 17415 1 . CYS 57 57 17415 1 . ASN 58 58 17415 1 . GLY 59 59 17415 1 . GLY 60 60 17415 1 . HIS 61 61 17415 1 . TRP 62 62 17415 1 . ILE 63 63 17415 1 . ALA 64 64 17415 1 . THR 65 65 17415 1 . ARG 66 66 17415 1 . GLY 67 67 17415 1 . GLN 68 68 17415 1 . LEU 69 69 17415 1 . ILE 70 70 17415 1 . ARG 71 71 17415 1 . GLU 72 72 17415 1 . ALA 73 73 17415 1 . TYR 74 74 17415 1 . GLU 75 75 17415 1 . ASP 76 76 17415 1 . TYR 77 77 17415 1 . ARG 78 78 17415 1 . HIS 79 79 17415 1 . PHE 80 80 17415 1 . SER 81 81 17415 1 . SER 82 82 17415 1 . GLU 83 83 17415 1 . CYS 84 84 17415 1 . PRO 85 85 17415 1 . PHE 86 86 17415 1 . ILE 87 87 17415 1 . PRO 88 88 17415 1 . ARG 89 89 17415 1 . GLU 90 90 17415 1 . ALA 91 91 17415 1 . GLY 92 92 17415 1 . GLU 93 93 17415 1 . ALA 94 94 17415 1 . TYR 95 95 17415 1 . ASP 96 96 17415 1 . PHE 97 97 17415 1 . ILE 98 98 17415 1 . PRO 99 99 17415 1 . THR 100 100 17415 1 . SER 101 101 17415 1 . MET 102 102 17415 1 . ASP 103 103 17415 1 . PRO 104 104 17415 1 . PRO 105 105 17415 1 . GLU 106 106 17415 1 . GLN 107 107 17415 1 . ARG 108 108 17415 1 . GLN 109 109 17415 1 . PHE 110 110 17415 1 . ARG 111 111 17415 1 . ALA 112 112 17415 1 . LEU 113 113 17415 1 . ALA 114 114 17415 1 . ASN 115 115 17415 1 . GLN 116 116 17415 1 . VAL 117 117 17415 1 . VAL 118 118 17415 1 . GLY 119 119 17415 1 . MET 120 120 17415 1 . PRO 121 121 17415 1 . VAL 122 122 17415 1 . VAL 123 123 17415 1 . ASP 124 124 17415 1 . LYS 125 125 17415 1 . LEU 126 126 17415 1 . GLU 127 127 17415 1 . ASN 128 128 17415 1 . ARG 129 129 17415 1 . ILE 130 130 17415 1 . GLN 131 131 17415 1 . GLU 132 132 17415 1 . LEU 133 133 17415 1 . ALA 134 134 17415 1 . CYS 135 135 17415 1 . SER 136 136 17415 1 . LEU 137 137 17415 1 . ILE 138 138 17415 1 . GLU 139 139 17415 1 . SER 140 140 17415 1 . LEU 141 141 17415 1 . ARG 142 142 17415 1 . PRO 143 143 17415 1 . GLN 144 144 17415 1 . GLY 145 145 17415 1 . GLN 146 146 17415 1 . CYS 147 147 17415 1 . ASN 148 148 17415 1 . PHE 149 149 17415 1 . THR 150 150 17415 1 . GLU 151 151 17415 1 . ASP 152 152 17415 1 . TYR 153 153 17415 1 . ALA 154 154 17415 1 . GLU 155 155 17415 1 . PRO 156 156 17415 1 . PHE 157 157 17415 1 . PRO 158 158 17415 1 . ILE 159 159 17415 1 . ARG 160 160 17415 1 . ILE 161 161 17415 1 . PHE 162 162 17415 1 . MET 163 163 17415 1 . LEU 164 164 17415 1 . LEU 165 165 17415 1 . ALA 166 166 17415 1 . GLY 167 167 17415 1 . LEU 168 168 17415 1 . PRO 169 169 17415 1 . GLU 170 170 17415 1 . GLU 171 171 17415 1 . ASP 172 172 17415 1 . ILE 173 173 17415 1 . PRO 174 174 17415 1 . HIS 175 175 17415 1 . LEU 176 176 17415 1 . LYS 177 177 17415 1 . TYR 178 178 17415 1 . LEU 179 179 17415 1 . THR 180 180 17415 1 . ASP 181 181 17415 1 . GLN 182 182 17415 1 . MET 183 183 17415 1 . THR 184 184 17415 1 . ARG 185 185 17415 1 . PRO 186 186 17415 1 . ASP 187 187 17415 1 . GLY 188 188 17415 1 . SER 189 189 17415 1 . MET 190 190 17415 1 . THR 191 191 17415 1 . PHE 192 192 17415 1 . ALA 193 193 17415 1 . GLU 194 194 17415 1 . ALA 195 195 17415 1 . LYS 196 196 17415 1 . GLU 197 197 17415 1 . ALA 198 198 17415 1 . LEU 199 199 17415 1 . TYR 200 200 17415 1 . ASP 201 201 17415 1 . TYR 202 202 17415 1 . LEU 203 203 17415 1 . ILE 204 204 17415 1 . PRO 205 205 17415 1 . ILE 206 206 17415 1 . ILE 207 207 17415 1 . GLU 208 208 17415 1 . GLN 209 209 17415 1 . ARG 210 210 17415 1 . ARG 211 211 17415 1 . GLN 212 212 17415 1 . LYS 213 213 17415 1 . PRO 214 214 17415 1 . GLY 215 215 17415 1 . THR 216 216 17415 1 . ASP 217 217 17415 1 . ALA 218 218 17415 1 . ILE 219 219 17415 1 . SER 220 220 17415 1 . ILE 221 221 17415 1 . VAL 222 222 17415 1 . ALA 223 223 17415 1 . ASN 224 224 17415 1 . GLY 225 225 17415 1 . GLN 226 226 17415 1 . VAL 227 227 17415 1 . ASN 228 228 17415 1 . GLY 229 229 17415 1 . ARG 230 230 17415 1 . PRO 231 231 17415 1 . ILE 232 232 17415 1 . THR 233 233 17415 1 . SER 234 234 17415 1 . ASP 235 235 17415 1 . GLU 236 236 17415 1 . ALA 237 237 17415 1 . LYS 238 238 17415 1 . ARG 239 239 17415 1 . MET 240 240 17415 1 . CYS 241 241 17415 1 . GLY 242 242 17415 1 . LEU 243 243 17415 1 . LEU 244 244 17415 1 . LEU 245 245 17415 1 . VAL 246 246 17415 1 . GLY 247 247 17415 1 . GLY 248 248 17415 1 . LEU 249 249 17415 1 . ASP 250 250 17415 1 . THR 251 251 17415 1 . VAL 252 252 17415 1 . VAL 253 253 17415 1 . ASN 254 254 17415 1 . PHE 255 255 17415 1 . LEU 256 256 17415 1 . SER 257 257 17415 1 . PHE 258 258 17415 1 . SER 259 259 17415 1 . MET 260 260 17415 1 . GLU 261 261 17415 1 . PHE 262 262 17415 1 . LEU 263 263 17415 1 . ALA 264 264 17415 1 . LYS 265 265 17415 1 . SER 266 266 17415 1 . PRO 267 267 17415 1 . GLU 268 268 17415 1 . HIS 269 269 17415 1 . ARG 270 270 17415 1 . GLN 271 271 17415 1 . GLU 272 272 17415 1 . LEU 273 273 17415 1 . ILE 274 274 17415 1 . GLU 275 275 17415 1 . ARG 276 276 17415 1 . PRO 277 277 17415 1 . GLU 278 278 17415 1 . ARG 279 279 17415 1 . ILE 280 280 17415 1 . PRO 281 281 17415 1 . ALA 282 282 17415 1 . ALA 283 283 17415 1 . CYS 284 284 17415 1 . GLU 285 285 17415 1 . GLU 286 286 17415 1 . LEU 287 287 17415 1 . LEU 288 288 17415 1 . ARG 289 289 17415 1 . ARG 290 290 17415 1 . PHE 291 291 17415 1 . SER 292 292 17415 1 . LEU 293 293 17415 1 . VAL 294 294 17415 1 . ALA 295 295 17415 1 . ASP 296 296 17415 1 . GLY 297 297 17415 1 . ARG 298 298 17415 1 . ILE 299 299 17415 1 . LEU 300 300 17415 1 . THR 301 301 17415 1 . SER 302 302 17415 1 . ASP 303 303 17415 1 . TYR 304 304 17415 1 . GLU 305 305 17415 1 . PHE 306 306 17415 1 . HIS 307 307 17415 1 . GLY 308 308 17415 1 . VAL 309 309 17415 1 . GLN 310 310 17415 1 . LEU 311 311 17415 1 . LYS 312 312 17415 1 . LYS 313 313 17415 1 . GLY 314 314 17415 1 . ASP 315 315 17415 1 . GLN 316 316 17415 1 . ILE 317 317 17415 1 . LEU 318 318 17415 1 . LEU 319 319 17415 1 . PRO 320 320 17415 1 . GLN 321 321 17415 1 . MET 322 322 17415 1 . LEU 323 323 17415 1 . SER 324 324 17415 1 . GLY 325 325 17415 1 . LEU 326 326 17415 1 . ASP 327 327 17415 1 . GLU 328 328 17415 1 . ARG 329 329 17415 1 . GLU 330 330 17415 1 . ASN 331 331 17415 1 . ALA 332 332 17415 1 . CYS 333 333 17415 1 . PRO 334 334 17415 1 . MET 335 335 17415 1 . HIS 336 336 17415 1 . VAL 337 337 17415 1 . ASP 338 338 17415 1 . PHE 339 339 17415 1 . SER 340 340 17415 1 . ARG 341 341 17415 1 . GLN 342 342 17415 1 . LYS 343 343 17415 1 . VAL 344 344 17415 1 . SER 345 345 17415 1 . HIS 346 346 17415 1 . THR 347 347 17415 1 . THR 348 348 17415 1 . PHE 349 349 17415 1 . GLY 350 350 17415 1 . HIS 351 351 17415 1 . GLY 352 352 17415 1 . SER 353 353 17415 1 . HIS 354 354 17415 1 . LEU 355 355 17415 1 . CYS 356 356 17415 1 . LEU 357 357 17415 1 . GLY 358 358 17415 1 . GLN 359 359 17415 1 . HIS 360 360 17415 1 . LEU 361 361 17415 1 . ALA 362 362 17415 1 . ARG 363 363 17415 1 . ARG 364 364 17415 1 . GLU 365 365 17415 1 . ILE 366 366 17415 1 . ILE 367 367 17415 1 . VAL 368 368 17415 1 . THR 369 369 17415 1 . LEU 370 370 17415 1 . LYS 371 371 17415 1 . GLU 372 372 17415 1 . TRP 373 373 17415 1 . LEU 374 374 17415 1 . THR 375 375 17415 1 . ARG 376 376 17415 1 . ILE 377 377 17415 1 . PRO 378 378 17415 1 . ASP 379 379 17415 1 . PHE 380 380 17415 1 . SER 381 381 17415 1 . ILE 382 382 17415 1 . ALA 383 383 17415 1 . PRO 384 384 17415 1 . GLY 385 385 17415 1 . ALA 386 386 17415 1 . GLN 387 387 17415 1 . ILE 388 388 17415 1 . GLN 389 389 17415 1 . HIS 390 390 17415 1 . LYS 391 391 17415 1 . SER 392 392 17415 1 . GLY 393 393 17415 1 . ILE 394 394 17415 1 . VAL 395 395 17415 1 . SER 396 396 17415 1 . GLY 397 397 17415 1 . VAL 398 398 17415 1 . GLN 399 399 17415 1 . ALA 400 400 17415 1 . LEU 401 401 17415 1 . PRO 402 402 17415 1 . LEU 403 403 17415 1 . VAL 404 404 17415 1 . TRP 405 405 17415 1 . ASP 406 406 17415 1 . PRO 407 407 17415 1 . ALA 408 408 17415 1 . THR 409 409 17415 1 . THR 410 410 17415 1 . LYS 411 411 17415 1 . ALA 412 412 17415 1 . VAL 413 413 17415 1 stop_ save_ save_HEM _Entity.Sf_category entity _Entity.Sf_framecode HEM _Entity.Entry_ID 17415 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name HEM _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID HEM _Entity.Nonpolymer_comp_label $chem_comp_HEM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . HEM . 17415 2 stop_ save_ save_CAM _Entity.Sf_category entity _Entity.Sf_framecode CAM _Entity.Entry_ID 17415 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CAM _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CAM _Entity.Nonpolymer_comp_label $chem_comp_CAM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . CAM . 17415 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 17415 _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 $entity_1 . 303 organism . 'Pseudomonas putida' 'Pseudomonas putida' . . Bacteria . Pseudomonas putida . . . . . . . . . . . . . . . . . . . . . 17415 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 17415 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . N/A . . . . . . 17415 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 17415 _Chem_comp.ID HEM _Chem_comp.Provenance . _Chem_comp.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code HEM _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2009-08-11 _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 . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 10 12:38:22 2011 ; _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 17415 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 17415 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 17415 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 17415 HEM FEDYMSUPMFCVOD-UJJXFSCMSA-N InChIKey InChI 1.02 17415 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 17415 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 17415 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 17415 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 17415 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 . . C . . N 0 . . . . yes no . . . . 2.748 . -19.531 . 39.896 . -2.161 -0.125 0.490 1 . 17415 HEM CHB . CHB . . C . . N 0 . . . . yes no . . . . 3.258 . -17.744 . 35.477 . 1.458 -3.419 0.306 2 . 17415 HEM CHC . CHC . . C . . N 0 . . . . yes no . . . . 1.703 . -21.900 . 33.637 . 4.701 0.169 -0.069 3 . 17415 HEM CHD . CHD . . C . . N 0 . . . . yes no . . . . 1.149 . -23.677 . 38.059 . 1.075 3.460 0.018 4 . 17415 HEM C1A . C1A . . C . . N 0 . . . . yes no . . . . 3.031 . -18.673 . 38.872 . -1.436 -1.305 0.380 5 . 17415 HEM C2A . C2A . . C . . N 0 . . . . yes no . . . . 3.578 . -17.325 . 39.013 . -2.015 -2.587 0.320 6 . 17415 HEM C3A . C3A . . C . . N 0 . . . . yes no . . . . 3.705 . -16.820 . 37.785 . -1.009 -3.500 0.270 7 . 17415 HEM C4A . C4A . . C . . N 0 . . . . yes no . . . . 3.256 . -17.863 . 36.862 . 0.216 -2.803 0.298 8 . 17415 HEM CMA . CMA . . C . . N 0 . . . . no no . . . . 4.227 . -15.469 . 37.393 . -1.175 -4.996 0.197 9 . 17415 HEM CAA . CAA . . C . . N 0 . . . . no no . . . . 3.945 . -16.670 . 40.296 . -3.490 -2.893 0.314 10 . 17415 HEM CBA . CBA . . C . . N 0 . . . . no no . . . . 5.391 . -17.138 . 40.581 . -3.998 -2.926 -1.129 11 . 17415 HEM CGA . CGA . . C . . N 0 . . . . no no . . . . 6.095 . -16.663 . 41.825 . -5.473 -3.232 -1.136 12 . 17415 HEM O1A . O1A . . O . . N 0 . . . . no no . . . . 7.098 . -15.928 . 41.683 . -6.059 -3.405 -0.094 13 . 17415 HEM O2A . O2A . . O . . N 0 . . . . no no . . . . 5.657 . -17.040 . 42.940 . -6.137 -3.311 -2.300 14 . 17415 HEM C1B . C1B . . C . . N 0 . . . . yes no . . . . 2.888 . -18.698 . 34.579 . 2.664 -2.707 0.308 15 . 17415 HEM C2B . C2B . . C . . N 0 . . . . yes no . . . . 2.933 . -18.535 . 33.146 . 3.937 -3.328 0.418 16 . 17415 HEM C3B . C3B . . C . . N 0 . . . . yes no . . . . 2.499 . -19.716 . 32.632 . 4.874 -2.341 0.314 17 . 17415 HEM C4B . C4B . . C . . N 0 . . . . yes no . . . . 2.187 . -20.580 . 33.743 . 4.117 -1.079 0.139 18 . 17415 HEM CMB . CMB . . C . . N 0 . . . . no no . . . . 3.391 . -17.290 . 32.422 . 4.203 -4.798 0.613 19 . 17415 HEM CAB . CAB . . C . . N 0 . . . . no no . . . . 2.345 . -20.140 . 31.217 . 6.339 -2.497 0.365 20 . 17415 HEM CBB . CBB . . C . . N 0 . . . . no no . . . . 1.755 . -19.492 . 30.233 . 6.935 -3.419 -0.385 21 . 17415 HEM C1C . C1C . . C . . N 0 . . . . yes no . . . . 1.395 . -22.786 . 34.659 . 3.964 1.345 -0.174 22 . 17415 HEM C2C . C2C . . C . . N 0 . . . . yes no . . . . 0.854 . -24.130 . 34.500 . 4.531 2.601 -0.445 23 . 17415 HEM C3C . C3C . . C . . N 0 . . . . yes no . . . . 0.689 . -24.626 . 35.757 . 3.510 3.536 -0.437 24 . 17415 HEM C4C . C4C . . C . . N 0 . . . . yes no . . . . 1.139 . -23.583 . 36.674 . 2.304 2.846 -0.139 25 . 17415 HEM CMC . CMC . . C . . N 0 . . . . no no . . . . 0.550 . -24.782 . 33.175 . 5.991 2.880 -0.697 26 . 17415 HEM CAC . CAC . . C . . N 0 . . . . no no . . . . 0.164 . -25.943 . 36.196 . 3.649 4.981 -0.692 27 . 17415 HEM CBC . CBC . . C . . N 0 . . . . no no . . . . 0.498 . -27.158 . 35.750 . 4.201 5.407 -1.823 28 . 17415 HEM C1D . C1D . . C . . N 0 . . . . yes no . . . . 1.550 . -22.718 . 38.980 . -0.102 2.753 0.298 29 . 17415 HEM C2D . C2D . . C . . N 0 . . . . yes no . . . . 1.513 . -22.879 . 40.415 . -1.382 3.388 0.641 30 . 17415 HEM C3D . C3D . . C . . N 0 . . . . yes no . . . . 1.951 . -21.691 . 40.929 . -2.283 2.389 0.774 31 . 17415 HEM C4D . C4D . . C . . N 0 . . . . yes no . . . . 2.277 . -20.826 . 39.811 . -1.561 1.137 0.511 32 . 17415 HEM CMD . CMD . . C . . N 0 . . . . no no . . . . 1.055 . -24.094 . 41.156 . -1.639 4.863 0.811 33 . 17415 HEM CAD . CAD . . C . . N 0 . . . . no no . . . . 2.048 . -21.326 . 42.352 . -3.741 2.532 1.123 34 . 17415 HEM CBD . CBD . . C . . N 0 . . . . no no . . . . 0.741 . -20.498 . 42.530 . -4.573 2.563 -0.160 35 . 17415 HEM CGD . CGD . . C . . N 0 . . . . no no . . . . 0.578 . -19.987 . 43.892 . -6.032 2.706 0.189 36 . 17415 HEM O1D . O1D . . O . . N 0 . . . . no no . . . . 1.387 . -19.103 . 44.303 . -6.372 2.776 1.347 37 . 17415 HEM O2D . O2D . . O . . N 0 . . . . no no . . . . -0.401 . -20.468 . 44.537 . -6.954 2.755 -0.785 38 . 17415 HEM NA . NA . . N . . N 0 . . . . yes no . . . . 2.863 . -18.969 . 37.554 . -0.068 -1.456 0.321 39 . 17415 HEM NB . NB . . N . . N 0 . . . . yes no . . . . 2.439 . -19.944 . 34.911 . 2.820 -1.386 0.207 40 . 17415 HEM NC . NC . . N . . N 0 . . . . yes no . . . . 1.537 . -22.509 . 35.976 . 2.604 1.506 -0.033 41 . 17415 HEM ND . ND . . N . . N 0 . . . . yes no . . . . 2.008 . -21.465 . 38.663 . -0.276 1.431 0.298 42 . 17415 HEM FE . FE . . FE . . S 0 . . . . no no . . . . 2.196 . -20.749 . 36.814 . 1.010 0.157 -0.060 43 . 17415 HEM HHB . HHB . . H . . N 0 . . . . no no . . . . 3.587 . -16.798 . 35.072 . 1.498 -4.508 0.309 44 . 17415 HEM HHC . HHC . . H . . N 0 . . . . no no . . . . 1.553 . -22.268 . 32.633 . 5.786 0.229 -0.153 45 . 17415 HEM HHD . HHD . . H . . N 0 . . . . no no . . . . 0.802 . -24.613 . 38.472 . 1.018 4.543 -0.083 46 . 17415 HEM HMA . HMA . . H . . N 0 . . . . no no . . . . 5.316 . -15.524 . 37.249 . -1.220 -5.306 -0.847 47 . 17415 HEM HMAA . HMAA . . H . . N 0 . . . . no no . . . . 3.749 . -15.149 . 36.455 . -0.328 -5.480 0.683 48 . 17415 HEM HMAB . HMAB . . H . . N 0 . . . . no no . . . . 3.998 . -14.743 . 38.187 . -2.097 -5.285 0.702 49 . 17415 HEM HAA . HAA . . H . . N 0 . . . . no no . . . . 3.894 . -15.575 . 40.209 . -3.662 -3.862 0.782 50 . 17415 HEM HAAA . HAAA . . H . . N 0 . . . . no no . . . . 3.264 . -16.976 . 41.104 . -4.024 -2.121 0.869 51 . 17415 HEM HBA . HBA . . H . . N 0 . . . . no no . . . . 5.351 . -18.235 . 40.650 . -3.825 -1.956 -1.597 52 . 17415 HEM HBAA . HBAA . . H . . N 0 . . . . no no . . . . 5.999 . -16.792 . 39.732 . -3.464 -3.697 -1.684 53 . 17415 HEM HMB . HMB . . H . . N 0 . . . . no no . . . . 3.319 . -17.449 . 31.336 . 3.256 -5.336 0.660 54 . 17415 HEM HMBA . HMBA . . H . . N 0 . . . . no no . . . . 2.753 . -16.442 . 32.711 . 4.794 -5.175 -0.222 55 . 17415 HEM HMBB . HMBB . . H . . N 0 . . . . no no . . . . 4.435 . -17.072 . 32.692 . 4.752 -4.948 1.543 56 . 17415 HEM HAB . HAB . . H . . N 0 . . . . no no . . . . 2.770 . -21.100 . 30.963 . 6.927 -1.863 1.011 57 . 17415 HEM HBB . HBB . . H . . N 0 . . . . no no . . . . 1.719 . -19.927 . 29.245 . 7.994 -3.600 -0.277 58 . 17415 HEM HBBA . HBBA . . H . . N 0 . . . . no no . . . . 1.308 . -18.526 . 30.414 . 6.360 -3.987 -1.102 59 . 17415 HEM HMC . HMC . . H . . N 0 . . . . no no . . . . 1.438 . -25.328 . 32.822 . 6.554 1.949 -0.639 60 . 17415 HEM HMCA . HMCA . . H . . N 0 . . . . no no . . . . -0.288 . -25.484 . 33.296 . 6.110 3.316 -1.689 61 . 17415 HEM HMCB . HMCB . . H . . N 0 . . . . no no . . . . 0.278 . -24.010 . 32.440 . 6.362 3.578 0.053 62 . 17415 HEM HAC . HAC . . H . . N 0 . . . . no no . . . . -0.583 . -25.916 . 36.975 . 3.303 5.694 0.042 63 . 17415 HEM HBC . HBC . . H . . N 0 . . . . no no . . . . 0.027 . -28.035 . 36.169 . 4.614 4.696 -2.523 64 . 17415 HEM HBCA . HBCA . . H . . N 0 . . . . no no . . . . 1.239 . -27.263 . 34.971 . 4.235 6.464 -2.043 65 . 17415 HEM HMD . HMD . . H . . N 0 . . . . no no . . . . 1.142 . -23.919 . 42.238 . -0.715 5.415 0.639 66 . 17415 HEM HMDA . HMDA . . H . . N 0 . . . . no no . . . . 0.006 . -24.304 . 40.902 . -2.394 5.185 0.094 67 . 17415 HEM HMDB . HMDB . . H . . N 0 . . . . no no . . . . 1.680 . -24.954 . 40.872 . -1.994 5.055 1.824 68 . 17415 HEM HAD . HAD . . H . . N 0 . . . . no no . . . . 2.081 . -22.206 . 43.011 . -4.052 1.687 1.738 69 . 17415 HEM HADA . HADA . . H . . N 0 . . . . no no . . . . 2.951 . -20.739 . 42.575 . -3.893 3.459 1.677 70 . 17415 HEM HBD . HBD . . H . . N 0 . . . . no no . . . . 0.775 . -19.642 . 41.839 . -4.262 3.408 -0.775 71 . 17415 HEM HBDA . HBDA . . H . . N 0 . . . . no no . . . . -0.116 . -21.147 . 42.297 . -4.421 1.636 -0.714 72 . 17415 HEM H2A . H2A . . H . . N 0 . . . . no no . . . . 6.201 . -16.682 . 43.632 . -7.082 -3.510 -2.254 73 . 17415 HEM H2D . H2D . . H . . N 0 . . . . no no . . . . -0.445 . -20.063 . 45.395 . -7.877 2.847 -0.512 74 . 17415 HEM HHA . HHA . . H . . N 0 . . . . no no . . . . 2.913 . -19.150 . 40.893 . -3.246 -0.188 0.567 75 . 17415 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 . 17415 HEM 2 . DOUB CHA C4D yes N 2 . 17415 HEM 3 . SING CHA HHA no N 3 . 17415 HEM 4 . SING CHB C4A yes N 4 . 17415 HEM 5 . DOUB CHB C1B yes N 5 . 17415 HEM 6 . SING CHB HHB no N 6 . 17415 HEM 7 . SING CHC C4B yes N 7 . 17415 HEM 8 . DOUB CHC C1C yes N 8 . 17415 HEM 9 . SING CHC HHC no N 9 . 17415 HEM 10 . DOUB CHD C4C yes N 10 . 17415 HEM 11 . SING CHD C1D yes N 11 . 17415 HEM 12 . SING CHD HHD no N 12 . 17415 HEM 13 . DOUB C1A C2A yes N 13 . 17415 HEM 14 . SING C1A NA yes N 14 . 17415 HEM 15 . SING C2A C3A yes N 15 . 17415 HEM 16 . SING C2A CAA no N 16 . 17415 HEM 17 . DOUB C3A C4A yes N 17 . 17415 HEM 18 . SING C3A CMA no N 18 . 17415 HEM 19 . SING C4A NA yes N 19 . 17415 HEM 20 . SING CMA HMA no N 20 . 17415 HEM 21 . SING CMA HMAA no N 21 . 17415 HEM 22 . SING CMA HMAB no N 22 . 17415 HEM 23 . SING CAA CBA no N 23 . 17415 HEM 24 . SING CAA HAA no N 24 . 17415 HEM 25 . SING CAA HAAA no N 25 . 17415 HEM 26 . SING CBA CGA no N 26 . 17415 HEM 27 . SING CBA HBA no N 27 . 17415 HEM 28 . SING CBA HBAA no N 28 . 17415 HEM 29 . DOUB CGA O1A no N 29 . 17415 HEM 30 . SING CGA O2A no N 30 . 17415 HEM 31 . SING C1B C2B no N 31 . 17415 HEM 32 . SING C1B NB yes N 32 . 17415 HEM 33 . DOUB C2B C3B yes N 33 . 17415 HEM 34 . SING C2B CMB yes N 34 . 17415 HEM 35 . SING C3B C4B no N 35 . 17415 HEM 36 . SING C3B CAB yes N 36 . 17415 HEM 37 . DOUB C4B NB no N 37 . 17415 HEM 38 . SING CMB HMB yes N 38 . 17415 HEM 39 . SING CMB HMBA no N 39 . 17415 HEM 40 . SING CMB HMBB no N 40 . 17415 HEM 41 . DOUB CAB CBB no N 41 . 17415 HEM 42 . SING CAB HAB no N 42 . 17415 HEM 43 . SING CBB HBB no N 43 . 17415 HEM 44 . SING CBB HBBA no N 44 . 17415 HEM 45 . SING C1C C2C no N 45 . 17415 HEM 46 . SING C1C NC yes N 46 . 17415 HEM 47 . DOUB C2C C3C yes N 47 . 17415 HEM 48 . SING C2C CMC yes N 48 . 17415 HEM 49 . SING C3C C4C no N 49 . 17415 HEM 50 . SING C3C CAC yes N 50 . 17415 HEM 51 . SING C4C NC no N 51 . 17415 HEM 52 . SING CMC HMC yes N 52 . 17415 HEM 53 . SING CMC HMCA no N 53 . 17415 HEM 54 . SING CMC HMCB no N 54 . 17415 HEM 55 . DOUB CAC CBC no N 55 . 17415 HEM 56 . SING CAC HAC no N 56 . 17415 HEM 57 . SING CBC HBC no N 57 . 17415 HEM 58 . SING CBC HBCA no N 58 . 17415 HEM 59 . SING C1D C2D no N 59 . 17415 HEM 60 . DOUB C1D ND yes N 60 . 17415 HEM 61 . DOUB C2D C3D yes N 61 . 17415 HEM 62 . SING C2D CMD yes N 62 . 17415 HEM 63 . SING C3D C4D no N 63 . 17415 HEM 64 . SING C3D CAD yes N 64 . 17415 HEM 65 . SING C4D ND no N 65 . 17415 HEM 66 . SING CMD HMD yes N 66 . 17415 HEM 67 . SING CMD HMDA no N 67 . 17415 HEM 68 . SING CMD HMDB no N 68 . 17415 HEM 69 . SING CAD CBD no N 69 . 17415 HEM 70 . SING CAD HAD no N 70 . 17415 HEM 71 . SING CAD HADA no N 71 . 17415 HEM 72 . SING CBD CGD no N 72 . 17415 HEM 73 . SING CBD HBD no N 73 . 17415 HEM 74 . SING CBD HBDA no N 74 . 17415 HEM 75 . DOUB CGD O1D no N 75 . 17415 HEM 76 . SING CGD O2D no N 76 . 17415 HEM 77 . SING O2A H2A no N 77 . 17415 HEM 78 . SING O2D H2D no N 78 . 17415 HEM 79 . SING FE NA no N 79 . 17415 HEM 80 . SING FE NB no N 80 . 17415 HEM 81 . SING FE NC no N 81 . 17415 HEM 82 . SING FE ND no N 82 . 17415 HEM stop_ save_ save_chem_comp_CAM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CAM _Chem_comp.Entry_ID 17415 _Chem_comp.ID CAM _Chem_comp.Provenance . _Chem_comp.Name CAM _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CAM _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CAM _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H16 O' _Chem_comp.Formula_weight 152.233 _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 6CP4 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 10 12:46:41 2011 ; _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 CC1(C2CCC1(C(=O)C2)C)C SMILES 'OpenEye OEToolkits' 1.5.0 17415 CAM CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 SMILES_CANONICAL CACTVS 3.341 17415 CAM CC1(C)[CH]2CC[C]1(C)C(=O)C2 SMILES CACTVS 3.341 17415 CAM CC1([C@@H]2CC[C@]1(C(=O)C2)C)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17415 CAM DSSYKIVIOFKYAU-XCBNKYQSBS InChIKey InChI 1.02b 17415 CAM InChI=1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 InChI InChI 1.02b 17415 CAM O=C1CC2CCC1(C)C2(C)C SMILES ACDLabs 10.04 17415 CAM 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 (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one 'SYSTEMATIC NAME' ACDLabs 10.04 17415 CAM (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-one 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17415 CAM 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 C1 . C1 . . C . . R 0 . . . . no no . . . . 7.555 . 7.626 . 14.568 . -0.525 0.535 -0.253 1 . 17415 CAM C2 . C2 . . C . . N 0 . . . . no no . . . . 9.049 . 7.681 . 14.338 . 0.171 -0.172 -1.422 2 . 17415 CAM O . O . . O . . N 0 . . . . no no . . . . 9.869 . 7.674 . 15.253 . -0.138 -0.138 -2.589 3 . 17415 CAM C3 . C3 . . C . . N 0 . . . . no no . . . . 9.410 . 7.829 . 12.905 . 1.332 -0.943 -0.781 4 . 17415 CAM C4 . C4 . . C . . R 0 . . . . no no . . . . 7.974 . 7.821 . 12.357 . 1.247 -0.603 0.738 5 . 17415 CAM C5 . C5 . . C . . N 0 . . . . no no . . . . 7.442 . 6.364 . 12.568 . 1.657 0.897 0.841 6 . 17415 CAM C6 . C6 . . C . . N 0 . . . . no no . . . . 7.071 . 6.245 . 14.075 . 0.484 1.663 0.186 7 . 17415 CAM C7 . C7 . . C . . N 0 . . . . no no . . . . 7.205 . 8.569 . 13.435 . -0.308 -0.491 0.912 8 . 17415 CAM C8 . C8 . . C . . N 0 . . . . no no . . . . 7.795 . 10.001 . 13.656 . -1.014 -1.822 0.645 9 . 17415 CAM C9 . C9 . . C . . N 0 . . . . no no . . . . 5.685 . 8.565 . 13.158 . -0.694 0.091 2.273 10 . 17415 CAM C10 . C10 . . C . . N 0 . . . . no no . . . . 7.146 . 8.136 . 15.934 . -1.967 0.988 -0.492 11 . 17415 CAM H31 . H31 . . H . . N 0 . . . . no no . . . . 10.055 . 8.695 . 12.629 . 2.285 -0.589 -1.175 12 . 17415 CAM H32 . H32 . . H . . N 0 . . . . no no . . . . 10.121 . 7.083 . 12.479 . 1.221 -2.013 -0.959 13 . 17415 CAM H4 . H4 . . H . . N 0 . . . . no no . . . . 7.896 . 8.199 . 11.310 . 1.763 -1.288 1.411 14 . 17415 CAM H51 . H51 . . H . . N 0 . . . . no no . . . . 6.603 . 6.096 . 11.883 . 1.767 1.191 1.885 15 . 17415 CAM H52 . H52 . . H . . N 0 . . . . no no . . . . 8.155 . 5.578 . 12.225 . 2.582 1.078 0.294 16 . 17415 CAM H61 . H61 . . H . . N 0 . . . . no no . . . . 7.485 . 5.360 . 14.612 . 0.022 2.338 0.906 17 . 17415 CAM H62 . H62 . . H . . N 0 . . . . no no . . . . 6.008 . 5.990 . 14.298 . 0.832 2.217 -0.685 18 . 17415 CAM H81 . H81 . . H . . N 0 . . . . no no . . . . 7.537 . 10.695 . 12.822 . -0.748 -2.537 1.424 19 . 17415 CAM H82 . H82 . . H . . N 0 . . . . no no . . . . 7.481 . 10.419 . 14.640 . -2.093 -1.668 0.647 20 . 17415 CAM H83 . H83 . . H . . N 0 . . . . no no . . . . 8.896 . 9.962 . 13.823 . -0.704 -2.210 -0.324 21 . 17415 CAM H91 . H91 . . H . . N 0 . . . . no no . . . . 5.427 . 9.259 . 12.324 . -0.426 -0.613 3.060 22 . 17415 CAM H92 . H92 . . H . . N 0 . . . . no no . . . . 5.305 . 7.534 . 12.966 . -0.162 1.030 2.430 23 . 17415 CAM H93 . H93 . . H . . N 0 . . . . no no . . . . 5.099 . 8.793 . 14.078 . -1.768 0.274 2.299 24 . 17415 CAM H101 . H101 . . H . . N 0 . . . . no no . . . . 6.044 . 8.095 . 16.103 . -1.988 1.725 -1.295 25 . 17415 CAM H102 . H102 . . H . . N 0 . . . . no no . . . . 7.692 . 7.594 . 16.740 . -2.576 0.128 -0.772 26 . 17415 CAM H103 . H103 . . H . . N 0 . . . . no no . . . . 7.537 . 9.165 . 16.107 . -2.365 1.433 0.419 27 . 17415 CAM 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 C1 C2 no N 1 . 17415 CAM 2 . SING C1 C6 no N 2 . 17415 CAM 3 . SING C1 C7 no N 3 . 17415 CAM 4 . SING C1 C10 no N 4 . 17415 CAM 5 . DOUB C2 O no N 5 . 17415 CAM 6 . SING C2 C3 no N 6 . 17415 CAM 7 . SING C3 C4 no N 7 . 17415 CAM 8 . SING C3 H31 no N 8 . 17415 CAM 9 . SING C3 H32 no N 9 . 17415 CAM 10 . SING C4 C5 no N 10 . 17415 CAM 11 . SING C4 C7 no N 11 . 17415 CAM 12 . SING C4 H4 no N 12 . 17415 CAM 13 . SING C5 C6 no N 13 . 17415 CAM 14 . SING C5 H51 no N 14 . 17415 CAM 15 . SING C5 H52 no N 15 . 17415 CAM 16 . SING C6 H61 no N 16 . 17415 CAM 17 . SING C6 H62 no N 17 . 17415 CAM 18 . SING C7 C8 no N 18 . 17415 CAM 19 . SING C7 C9 no N 19 . 17415 CAM 20 . SING C8 H81 no N 20 . 17415 CAM 21 . SING C8 H82 no N 21 . 17415 CAM 22 . SING C8 H83 no N 22 . 17415 CAM 23 . SING C9 H91 no N 23 . 17415 CAM 24 . SING C9 H92 no N 24 . 17415 CAM 25 . SING C9 H93 no N 25 . 17415 CAM 26 . SING C10 H101 no N 26 . 17415 CAM 27 . SING C10 H102 no N 27 . 17415 CAM 28 . SING C10 H103 no N 28 . 17415 CAM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17415 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.4 mM reduced-CO-bound CYP101A1, 3 mM CAM, pH 7.4 TrisHCl buffer, 100 mM KCl ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 P450cam' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 0.4 . . mM .03 . . . 17415 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17415 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17415 1 4 CYP101A1 'natural abundance' . . 2 $HEM . . 0.4 . . mM . . . . 17415 1 5 CAM 'natural abundance' . . 3 $CAM . . 3 . . mM . . . . 17415 1 6 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 17415 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17415 _Sample.ID 2 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details 'Same as sample_1, except 5% nematic phase C12E5/hexanol added for alignment' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 P450cam' [U-15N] . . 1 $entity_1 . . 0.4 . . mM 0.02 . . . 17415 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17415 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17415 2 4 CYP101A1 'natural abundance' . . 2 $HEM . . 0.4 . . mM . . . . 17415 2 5 CAM 'natural abundance' . . 3 $CAM . . 3 . . mM . . . . 17415 2 6 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 17415 2 7 C12E5/hexanol 'natural abundance' . . . . . . 5 . . % . . . . 17415 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17415 _Sample.ID 3 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details 'Same as sample_1, except 8 mg/mL pf1 phage added' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 P450cam' [U-15N] . . 1 $entity_1 . . 0.4 . . mM 0.02 . . . 17415 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17415 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17415 3 4 CYP101A1 'natural abundance' . . 2 $HEM . . 0.4 . . mM . . . . 17415 3 5 CAM 'natural abundance' . . 3 $CAM . . 3 . . mM . . . . 17415 3 6 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 17415 3 7 pf1 'natural abundance' . . . . . . 8 . . mg/mL . . . . 17415 3 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 17415 _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' 100 . mM 17415 1 pH 7.4 0.1 pH 17415 1 pressure 1 . atm 17415 1 temperature 298 0.1 K 17415 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17415 _Sample_condition_list.ID 2 _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' 100 0.1 mM 17415 2 pH 7.4 0.1 pH 17415 2 pressure 1 . atm 17415 2 temperature 298 0.1 K 17415 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 17415 _Sample_condition_list.ID 3 _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' 100 0.1 mM 17415 3 pH 7.4 0.1 pH 17415 3 pressure 1 . atm 17415 3 temperature 298 0.1 K 17415 3 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17415 _Software.ID 1 _Software.Name AMBER _Software.Version 10 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17415 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17415 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17415 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 17415 _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 Bruker Avance . 800 . . . 17415 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 17415 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17415 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17415 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17415 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17415 1 5 '2D 1H-15N TROSY-semiTROSY' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17415 1 6 '2D 1H-15N TROSY-semiTROSY' no . . . . . . . . . . 3 $sample_3 anisotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17415 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 17415 _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 . indirect 0.251449530 . . . . . . . . . 17415 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17415 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17415 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 17415 _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 '3D HNCA' . . . 17415 1 2 '3D HN(CO)CA' . . . 17415 1 3 '3D HNCACB' . . . 17415 1 4 '3D 1H-15N NOESY' . . . 17415 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 1 1 THR H H 1 8.20 0.02 . 1 . . . A 2 THR H . 17415 1 2 . 1 1 1 1 THR CA C 13 60.7 0.1 . 1 . . . A 2 THR CA . 17415 1 3 . 1 1 1 1 THR CB C 13 68.4 0.1 . 1 . . . A 2 THR CB . 17415 1 4 . 1 1 1 1 THR N N 15 117.1 0.1 . 1 . . . A 2 THR N . 17415 1 5 . 1 1 2 2 GLU H H 1 8.16 0.02 . 1 . . . A 3 GLU H . 17415 1 6 . 1 1 2 2 GLU CA C 13 55.2 0.1 . 1 . . . A 3 GLU CA . 17415 1 7 . 1 1 2 2 GLU CB C 13 28.6 0.1 . 1 . . . A 3 GLU CB . 17415 1 8 . 1 1 2 2 GLU N N 15 116.9 0.1 . 1 . . . A 3 GLU N . 17415 1 9 . 1 1 3 3 THR H H 1 8.12 0.02 . 1 . . . A 4 THR H . 17415 1 10 . 1 1 3 3 THR CA C 13 60.7 0.1 . 1 . . . A 4 THR CA . 17415 1 11 . 1 1 3 3 THR CB C 13 68.4 0.1 . 1 . . . A 4 THR CB . 17415 1 12 . 1 1 3 3 THR N N 15 120.5 0.1 . 1 . . . A 4 THR N . 17415 1 13 . 1 1 4 4 ILE H H 1 8.15 0.02 . 1 . . . A 5 ILE H . 17415 1 14 . 1 1 4 4 ILE CA C 13 60.2 0.1 . 1 . . . A 5 ILE CA . 17415 1 15 . 1 1 4 4 ILE CB C 13 36.8 0.1 . 1 . . . A 5 ILE CB . 17415 1 16 . 1 1 4 4 ILE N N 15 124.9 0.1 . 1 . . . A 5 ILE N . 17415 1 17 . 1 1 5 5 GLN H H 1 8.39 0.02 . 1 . . . A 6 GLN H . 17415 1 18 . 1 1 5 5 GLN CA C 13 54.5 0.1 . 1 . . . A 6 GLN CA . 17415 1 19 . 1 1 5 5 GLN CB C 13 28.0 0.1 . 1 . . . A 6 GLN CB . 17415 1 20 . 1 1 5 5 GLN N N 15 125.5 0.1 . 1 . . . A 6 GLN N . 17415 1 21 . 1 1 6 6 SER H H 1 8.29 0.02 . 1 . . . A 7 SER H . 17415 1 22 . 1 1 6 6 SER CA C 13 57.2 0.1 . 1 . . . A 7 SER CA . 17415 1 23 . 1 1 6 6 SER CB C 13 62.7 0.1 . 1 . . . A 7 SER CB . 17415 1 24 . 1 1 6 6 SER N N 15 118.4 0.1 . 1 . . . A 7 SER N . 17415 1 25 . 1 1 7 7 ASN H H 1 8.35 0.02 . 1 . . . A 8 ASN H . 17415 1 26 . 1 1 7 7 ASN CA C 13 51.9 0.1 . 1 . . . A 8 ASN CA . 17415 1 27 . 1 1 7 7 ASN CB C 13 37.3 0.1 . 1 . . . A 8 ASN CB . 17415 1 28 . 1 1 7 7 ASN N N 15 121.7 0.1 . 1 . . . A 8 ASN N . 17415 1 29 . 1 1 8 8 ALA H H 1 8.10 0.02 . 1 . . . A 9 ALA H . 17415 1 30 . 1 1 8 8 ALA CA C 13 51.1 0.1 . 1 . . . A 9 ALA CA . 17415 1 31 . 1 1 8 8 ALA CB C 13 17.1 0.1 . 1 . . . A 9 ALA CB . 17415 1 32 . 1 1 8 8 ALA N N 15 124.3 0.1 . 1 . . . A 9 ALA N . 17415 1 33 . 1 1 9 9 ASN H H 1 8.32 0.02 . 1 . . . A 10 ASN H . 17415 1 34 . 1 1 9 9 ASN CA C 13 51.9 0.1 . 1 . . . A 10 ASN CA . 17415 1 35 . 1 1 9 9 ASN CB C 13 36.9 0.1 . 1 . . . A 10 ASN CB . 17415 1 36 . 1 1 9 9 ASN N N 15 117.8 0.1 . 1 . . . A 10 ASN N . 17415 1 37 . 1 1 10 10 LEU H H 1 7.74 0.02 . 1 . . . A 11 LEU H . 17415 1 38 . 1 1 10 10 LEU CA C 13 52.2 0.1 . 1 . . . A 11 LEU CA . 17415 1 39 . 1 1 10 10 LEU CB C 13 39.7 0.1 . 1 . . . A 11 LEU CB . 17415 1 40 . 1 1 10 10 LEU N N 15 122.0 0.1 . 1 . . . A 11 LEU N . 17415 1 41 . 1 1 11 11 ALA H H 1 8.70 0.02 . 1 . . . A 12 ALA H . 17415 1 42 . 1 1 11 11 ALA CA C 13 49.1 0.1 . 1 . . . A 12 ALA CA . 17415 1 43 . 1 1 11 11 ALA CB C 13 15.9 0.1 . 1 . . . A 12 ALA CB . 17415 1 44 . 1 1 11 11 ALA N N 15 129.9 0.1 . 1 . . . A 12 ALA N . 17415 1 45 . 1 1 15 15 PRO CA C 13 63.2 0.1 . 1 . . . A 16 PRO CA . 17415 1 46 . 1 1 15 15 PRO CB C 13 30.8 0.1 . 1 . . . A 16 PRO CB . 17415 1 47 . 1 1 16 16 HIS H H 1 7.64 0.02 . 1 . . . A 17 HIS H . 17415 1 48 . 1 1 16 16 HIS CA C 13 55.0 0.1 . 1 . . . A 17 HIS CA . 17415 1 49 . 1 1 16 16 HIS CB C 13 29.2 0.1 . 1 . . . A 17 HIS CB . 17415 1 50 . 1 1 16 16 HIS N N 15 111.6 0.1 . 1 . . . A 17 HIS N . 17415 1 51 . 1 1 17 17 VAL H H 1 6.84 0.02 . 1 . . . A 18 VAL H . 17415 1 52 . 1 1 17 17 VAL CA C 13 59.1 0.1 . 1 . . . A 18 VAL CA . 17415 1 53 . 1 1 17 17 VAL CB C 13 30.3 0.1 . 1 . . . A 18 VAL CB . 17415 1 54 . 1 1 17 17 VAL N N 15 127.6 0.02 . 1 . . . A 18 VAL N . 17415 1 55 . 1 1 18 18 PRO CA C 13 63.2 0.1 . 1 . . . A 19 PRO CA . 17415 1 56 . 1 1 18 18 PRO CB C 13 30.8 0.1 . 1 . . . A 19 PRO CB . 17415 1 57 . 1 1 19 19 GLU H H 1 8.62 0.02 . 1 . . . A 20 GLU H . 17415 1 58 . 1 1 19 19 GLU CA C 13 58.3 0.1 . 1 . . . A 20 GLU CA . 17415 1 59 . 1 1 19 19 GLU CB C 13 27.5 0.1 . 1 . . . A 20 GLU CB . 17415 1 60 . 1 1 19 19 GLU N N 15 122.3 0.1 . 1 . . . A 20 GLU N . 17415 1 61 . 1 1 20 20 HIS H H 1 8.08 0.02 . 1 . . . A 21 HIS H . 17415 1 62 . 1 1 20 20 HIS CA C 13 56.8 0.1 . 1 . . . A 21 HIS CA . 17415 1 63 . 1 1 20 20 HIS CB C 13 27.2 0.1 . 1 . . . A 21 HIS CB . 17415 1 64 . 1 1 20 20 HIS N N 15 113.9 0.1 . 1 . . . A 21 HIS N . 17415 1 65 . 1 1 21 21 LEU H H 1 7.30 0.02 . 1 . . . A 22 LEU H . 17415 1 66 . 1 1 21 21 LEU CA C 13 52.7 0.1 . 1 . . . A 22 LEU CA . 17415 1 67 . 1 1 21 21 LEU CB C 13 40.3 0.1 . 1 . . . A 22 LEU CB . 17415 1 68 . 1 1 21 21 LEU N N 15 119.3 0.1 . 1 . . . A 22 LEU N . 17415 1 69 . 1 1 22 22 VAL H H 1 7.15 0.02 . 1 . . . A 23 VAL H . 17415 1 70 . 1 1 22 22 VAL CA C 13 61.7 0.1 . 1 . . . A 23 VAL CA . 17415 1 71 . 1 1 22 22 VAL CB C 13 29.9 0.1 . 1 . . . A 23 VAL CB . 17415 1 72 . 1 1 22 22 VAL N N 15 120.5 0.1 . 1 . . . A 23 VAL N . 17415 1 73 . 1 1 23 23 PHE H H 1 9.20 0.02 . 1 . . . A 24 PHE H . 17415 1 74 . 1 1 23 23 PHE CA C 13 56.8 0.1 . 1 . . . A 24 PHE CA . 17415 1 75 . 1 1 23 23 PHE CB C 13 39.1 0.1 . 1 . . . A 24 PHE CB . 17415 1 76 . 1 1 23 23 PHE N N 15 133.7 0.1 . 1 . . . A 24 PHE N . 17415 1 77 . 1 1 24 24 ASP H H 1 8.13 0.02 . 1 . . . A 25 ASP H . 17415 1 78 . 1 1 24 24 ASP CA C 13 54.3 0.1 . 1 . . . A 25 ASP CA . 17415 1 79 . 1 1 24 24 ASP CB C 13 38.9 0.1 . 1 . . . A 25 ASP CB . 17415 1 80 . 1 1 24 24 ASP N N 15 126.3 0.1 . 1 . . . A 25 ASP N . 17415 1 81 . 1 1 25 25 PHE H H 1 8.33 0.02 . 1 . . . A 26 PHE H . 17415 1 82 . 1 1 25 25 PHE CA C 13 60.0 0.1 . 1 . . . A 26 PHE CA . 17415 1 83 . 1 1 25 25 PHE CB C 13 36.5 0.1 . 1 . . . A 26 PHE CB . 17415 1 84 . 1 1 25 25 PHE N N 15 125.5 0.1 . 1 . . . A 26 PHE N . 17415 1 85 . 1 1 27 27 MET CA C 13 56.3 0.1 . 1 . . . A 28 MET CA . 17415 1 86 . 1 1 27 27 MET CB C 13 28.1 0.1 . 1 . . . A 28 MET CB . 17415 1 87 . 1 1 28 28 TYR H H 1 7.90 0.02 . 1 . . . A 29 TYR H . 17415 1 88 . 1 1 28 28 TYR CA C 13 57.3 0.1 . 1 . . . A 29 TYR CA . 17415 1 89 . 1 1 28 28 TYR CB C 13 31.2 0.1 . 1 . . . A 29 TYR CB . 17415 1 90 . 1 1 28 28 TYR N N 15 119.6 0.1 . 1 . . . A 29 TYR N . 17415 1 91 . 1 1 30 30 PRO CA C 13 61.6 0.1 . 1 . . . A 31 PRO CA . 17415 1 92 . 1 1 30 30 PRO CB C 13 30.0 0.1 . 1 . . . A 31 PRO CB . 17415 1 93 . 1 1 31 31 SER H H 1 7.91 0.02 . 1 . . . A 32 SER H . 17415 1 94 . 1 1 31 31 SER CA C 13 59.1 0.1 . 1 . . . A 32 SER CA . 17415 1 95 . 1 1 31 31 SER CB C 13 61.5 0.1 . 1 . . . A 32 SER CB . 17415 1 96 . 1 1 31 31 SER N N 15 118.7 0.1 . 1 . . . A 32 SER N . 17415 1 97 . 1 1 32 32 ASN H H 1 8.75 0.02 . 1 . . . A 33 ASN H . 17415 1 98 . 1 1 32 32 ASN CA C 13 52.3 0.1 . 1 . . . A 33 ASN CA . 17415 1 99 . 1 1 32 32 ASN CB C 13 36.6 0.1 . 1 . . . A 33 ASN CB . 17415 1 100 . 1 1 32 32 ASN N N 15 118.1 0.1 . 1 . . . A 33 ASN N . 17415 1 101 . 1 1 33 33 LEU H H 1 7.26 0.02 . 1 . . . A 34 LEU H . 17415 1 102 . 1 1 33 33 LEU CA C 13 56.2 0.1 . 1 . . . A 34 LEU CA . 17415 1 103 . 1 1 33 33 LEU CB C 13 40.8 0.1 . 1 . . . A 34 LEU CB . 17415 1 104 . 1 1 33 33 LEU N N 15 120.2 0.1 . 1 . . . A 34 LEU N . 17415 1 105 . 1 1 34 34 SER H H 1 8.60 0.02 . 1 . . . A 35 SER H . 17415 1 106 . 1 1 34 34 SER CA C 13 59.5 0.1 . 1 . . . A 35 SER CA . 17415 1 107 . 1 1 34 34 SER CB C 13 61.3 0.1 . 1 . . . A 35 SER CB . 17415 1 108 . 1 1 34 34 SER N N 15 115.1 0.1 . 1 . . . A 35 SER N . 17415 1 109 . 1 1 35 35 ALA H H 1 7.75 0.02 . 1 . . . A 36 ALA H . 17415 1 110 . 1 1 35 35 ALA CA C 13 51.5 0.1 . 1 . . . A 36 ALA CA . 17415 1 111 . 1 1 35 35 ALA CB C 13 17.5 0.1 . 1 . . . A 36 ALA CB . 17415 1 112 . 1 1 35 35 ALA N N 15 124.6 0.1 . 1 . . . A 36 ALA N . 17415 1 113 . 1 1 36 36 GLY H H 1 7.38 0.02 . 1 . . . A 37 GLY H . 17415 1 114 . 1 1 36 36 GLY CA C 13 41.9 0.1 . 1 . . . A 37 GLY CA . 17415 1 115 . 1 1 36 36 GLY N N 15 109.8 0.1 . 1 . . . A 37 GLY N . 17415 1 116 . 1 1 37 37 VAL H H 1 7.51 0.02 . 1 . . . A 38 VAL H . 17415 1 117 . 1 1 37 37 VAL CA C 13 66.1 0.1 . 1 . . . A 38 VAL CA . 17415 1 118 . 1 1 37 37 VAL CB C 13 28.1 0.1 . 1 . . . A 38 VAL CB . 17415 1 119 . 1 1 37 37 VAL N N 15 124.3 0.1 . 1 . . . A 38 VAL N . 17415 1 120 . 1 1 38 38 GLN H H 1 7.56 0.02 . 1 . . . A 39 GLN H . 17415 1 121 . 1 1 38 38 GLN CA C 13 60.8 0.1 . 1 . . . A 39 GLN CA . 17415 1 122 . 1 1 38 38 GLN CB C 13 23.6 0.1 . 1 . . . A 39 GLN CB . 17415 1 123 . 1 1 38 38 GLN N N 15 121.7 0.1 . 1 . . . A 39 GLN N . 17415 1 124 . 1 1 39 39 GLU H H 1 9.81 0.02 . 1 . . . A 40 GLU H . 17415 1 125 . 1 1 39 39 GLU CA C 13 59.8 0.1 . 1 . . . A 40 GLU CA . 17415 1 126 . 1 1 39 39 GLU CB C 13 26.4 0.1 . 1 . . . A 40 GLU CB . 17415 1 127 . 1 1 39 39 GLU N N 15 120.8 0.1 . 1 . . . A 40 GLU N . 17415 1 128 . 1 1 40 40 ALA H H 1 8.53 0.02 . 1 . . . A 41 ALA H . 17415 1 129 . 1 1 40 40 ALA CA C 13 53.6 0.1 . 1 . . . A 41 ALA CA . 17415 1 130 . 1 1 40 40 ALA CB C 13 16.6 0.1 . 1 . . . A 41 ALA CB . 17415 1 131 . 1 1 40 40 ALA N N 15 122.8 0.1 . 1 . . . A 41 ALA N . 17415 1 132 . 1 1 41 41 TRP H H 1 7.75 0.02 . 1 . . . A 42 TRP H . 17415 1 133 . 1 1 41 41 TRP HE1 H 1 9.81 0.02 . 1 . . . A 42 TRP HE1 . 17415 1 134 . 1 1 41 41 TRP CA C 13 55.5 0.1 . 1 . . . A 42 TRP CA . 17415 1 135 . 1 1 41 41 TRP N N 15 122.3 0.1 . 1 . . . A 42 TRP N . 17415 1 136 . 1 1 41 41 TRP NE1 N 15 128.7 0.1 . 1 . . . A 42 TRP NE1 . 17415 1 137 . 1 1 42 42 ALA CA C 13 50.5 0.1 . 1 . . . A 43 ALA CA . 17415 1 138 . 1 1 43 43 VAL H H 1 6.08 0.02 . 1 . . . A 44 VAL H . 17415 1 139 . 1 1 43 43 VAL CA C 13 62.2 0.1 . 1 . . . A 44 VAL CA . 17415 1 140 . 1 1 43 43 VAL N N 15 115.1 0.1 . 1 . . . A 44 VAL N . 17415 1 141 . 1 1 44 44 LEU H H 1 7.07 0.02 . 1 . . . A 45 LEU H . 17415 1 142 . 1 1 44 44 LEU CA C 13 54.2 0.1 . 1 . . . A 45 LEU CA . 17415 1 143 . 1 1 44 44 LEU N N 15 119.3 0.1 . 1 . . . A 45 LEU N . 17415 1 144 . 1 1 45 45 GLN H H 1 7.43 0.02 . 1 . . . A 46 GLN H . 17415 1 145 . 1 1 45 45 GLN CA C 13 52.4 0.1 . 1 . . . A 46 GLN CA . 17415 1 146 . 1 1 45 45 GLN CB C 13 26.6 0.1 . 1 . . . A 46 GLN CB . 17415 1 147 . 1 1 45 45 GLN N N 15 112.2 0.1 . 1 . . . A 46 GLN N . 17415 1 148 . 1 1 46 46 GLU H H 1 6.72 0.02 . 1 . . . A 47 GLU H . 17415 1 149 . 1 1 46 46 GLU CA C 13 55.9 0.1 . 1 . . . A 47 GLU CA . 17415 1 150 . 1 1 46 46 GLU CB C 13 28.6 0.1 . 1 . . . A 47 GLU CB . 17415 1 151 . 1 1 46 46 GLU N N 15 121.1 0.1 . 1 . . . A 47 GLU N . 17415 1 152 . 1 1 47 47 SER H H 1 8.56 0.02 . 1 . . . A 48 SER H . 17415 1 153 . 1 1 47 47 SER CA C 13 60.0 0.1 . 1 . . . A 48 SER CA . 17415 1 154 . 1 1 47 47 SER CB C 13 61.8 0.1 . 1 . . . A 48 SER CB . 17415 1 155 . 1 1 47 47 SER N N 15 115.7 0.1 . 1 . . . A 48 SER N . 17415 1 156 . 1 1 48 48 ASN H H 1 8.28 0.02 . 1 . . . A 49 ASN H . 17415 1 157 . 1 1 48 48 ASN CA C 13 52.1 0.1 . 1 . . . A 49 ASN CA . 17415 1 158 . 1 1 48 48 ASN CB C 13 36.3 0.1 . 1 . . . A 49 ASN CB . 17415 1 159 . 1 1 48 48 ASN N N 15 116.6 0.1 . 1 . . . A 49 ASN N . 17415 1 160 . 1 1 49 49 VAL H H 1 7.69 0.02 . 1 . . . A 50 VAL H . 17415 1 161 . 1 1 49 49 VAL CA C 13 59.6 0.1 . 1 . . . A 50 VAL CA . 17415 1 162 . 1 1 49 49 VAL CB C 13 30.9 0.1 . 1 . . . A 50 VAL CB . 17415 1 163 . 1 1 49 49 VAL N N 15 125.8 0.1 . 1 . . . A 50 VAL N . 17415 1 164 . 1 1 50 50 PRO CA C 13 61.6 0.1 . 1 . . . A 51 PRO CA . 17415 1 165 . 1 1 50 50 PRO CB C 13 30.9 0.1 . 1 . . . A 51 PRO CB . 17415 1 166 . 1 1 51 51 ASP H H 1 8.04 0.02 . 1 . . . A 52 ASP H . 17415 1 167 . 1 1 51 51 ASP CA C 13 54.7 0.1 . 1 . . . A 52 ASP CA . 17415 1 168 . 1 1 51 51 ASP CB C 13 39.2 0.1 . 1 . . . A 52 ASP CB . 17415 1 169 . 1 1 51 51 ASP N N 15 117.8 0.1 . 1 . . . A 52 ASP N . 17415 1 170 . 1 1 52 52 LEU H H 1 7.10 0.02 . 1 . . . A 53 LEU H . 17415 1 171 . 1 1 52 52 LEU CA C 13 53.2 0.1 . 1 . . . A 53 LEU CA . 17415 1 172 . 1 1 52 52 LEU CB C 13 43.9 0.1 . 1 . . . A 53 LEU CB . 17415 1 173 . 1 1 52 52 LEU N N 15 119.0 0.1 . 1 . . . A 53 LEU N . 17415 1 174 . 1 1 53 53 VAL H H 1 8.50 0.02 . 1 . . . A 54 VAL H . 17415 1 175 . 1 1 53 53 VAL CA C 13 57.1 0.1 . 1 . . . A 54 VAL CA . 17415 1 176 . 1 1 53 53 VAL N N 15 113.6 0.1 . 1 . . . A 54 VAL N . 17415 1 177 . 1 1 54 54 TRP H H 1 8.98 0.02 . 1 . . . A 55 TRP H . 17415 1 178 . 1 1 54 54 TRP HE1 H 1 9.00 0.02 . 1 . . . A 55 TRP HE1 . 17415 1 179 . 1 1 54 54 TRP CA C 13 54.2 0.1 . 1 . . . A 55 TRP CA . 17415 1 180 . 1 1 54 54 TRP N N 15 122.8 0.1 . 1 . . . A 55 TRP N . 17415 1 181 . 1 1 54 54 TRP NE1 N 15 130.7 0.1 . 1 . . . A 55 TRP NE1 . 17415 1 182 . 1 1 55 55 THR H H 1 7.90 0.02 . 1 . . . A 56 THR H . 17415 1 183 . 1 1 55 55 THR CA C 13 57.4 0.1 . 1 . . . A 56 THR CA . 17415 1 184 . 1 1 55 55 THR CB C 13 64.5 0.1 . 1 . . . A 56 THR CB . 17415 1 185 . 1 1 55 55 THR N N 15 120.2 0.1 . 1 . . . A 56 THR N . 17415 1 186 . 1 1 56 56 ARG H H 1 7.89 0.02 . 1 . . . A 57 ARG H . 17415 1 187 . 1 1 56 56 ARG CA C 13 54.6 0.1 . 1 . . . A 57 ARG CA . 17415 1 188 . 1 1 56 56 ARG CB C 13 28.0 0.1 . 1 . . . A 57 ARG CB . 17415 1 189 . 1 1 56 56 ARG N N 15 119.0 0.1 . 1 . . . A 57 ARG N . 17415 1 190 . 1 1 57 57 CYS H H 1 8.04 0.02 . 1 . . . A 58 CYS H . 17415 1 191 . 1 1 57 57 CYS CA C 13 57.7 0.1 . 1 . . . A 58 CYS CA . 17415 1 192 . 1 1 57 57 CYS CB C 13 27.9 0.1 . 1 . . . A 58 CYS CB . 17415 1 193 . 1 1 57 57 CYS N N 15 119.3 0.1 . 1 . . . A 58 CYS N . 17415 1 194 . 1 1 58 58 ASN H H 1 9.32 0.02 . 1 . . . A 59 ASN H . 17415 1 195 . 1 1 58 58 ASN CA C 13 54.4 0.1 . 1 . . . A 59 ASN CA . 17415 1 196 . 1 1 58 58 ASN CB C 13 36.9 0.1 . 1 . . . A 59 ASN CB . 17415 1 197 . 1 1 58 58 ASN N N 15 114.8 1.0 . 1 . . . A 59 ASN N . 17415 1 198 . 1 1 59 59 GLY H H 1 8.88 0.02 . 1 . . . A 60 GLY H . 17415 1 199 . 1 1 59 59 GLY CA C 13 43.9 0.1 . 1 . . . A 60 GLY CA . 17415 1 200 . 1 1 59 59 GLY N N 15 104.1 0.1 . 1 . . . A 60 GLY N . 17415 1 201 . 1 1 60 60 GLY H H 1 7.48 0.02 . 1 . . . A 61 GLY H . 17415 1 202 . 1 1 60 60 GLY CA C 13 43.0 0.1 . 1 . . . A 61 GLY CA . 17415 1 203 . 1 1 60 60 GLY N N 15 111.9 0.1 . 1 . . . A 61 GLY N . 17415 1 204 . 1 1 61 61 HIS H H 1 7.14 0.02 . 1 . . . A 62 HIS H . 17415 1 205 . 1 1 61 61 HIS CA C 13 54.2 0.1 . 1 . . . A 62 HIS CA . 17415 1 206 . 1 1 61 61 HIS CB C 13 27.8 0.1 . 1 . . . A 62 HIS CB . 17415 1 207 . 1 1 61 61 HIS N N 15 122.0 0.1 . 1 . . . A 62 HIS N . 17415 1 208 . 1 1 62 62 TRP H H 1 8.31 0.02 . 1 . . . A 63 TRP H . 17415 1 209 . 1 1 62 62 TRP HE1 H 1 10.35 0.02 . 1 . . . A 63 TRP HE1 . 17415 1 210 . 1 1 62 62 TRP CA C 13 56.9 0.1 . 1 . . . A 63 TRP CA . 17415 1 211 . 1 1 62 62 TRP N N 15 118.3 0.1 . 1 . . . A 63 TRP N . 17415 1 212 . 1 1 62 62 TRP NE1 N 15 129.0 0.1 . 1 . . . A 63 TRP NE1 . 17415 1 213 . 1 1 63 63 ILE H H 1 10.29 0.02 . 1 . . . A 64 ILE H . 17415 1 214 . 1 1 63 63 ILE CA C 13 61.2 0.1 . 1 . . . A 64 ILE CA . 17415 1 215 . 1 1 63 63 ILE N N 15 125.4 0.1 . 1 . . . A 64 ILE N . 17415 1 216 . 1 1 64 64 ALA H H 1 7.76 0.02 . 1 . . . A 65 ALA H . 17415 1 217 . 1 1 64 64 ALA CA C 13 49.4 0.1 . 1 . . . A 65 ALA CA . 17415 1 218 . 1 1 64 64 ALA CB C 13 20.2 0.1 . 1 . . . A 65 ALA CB . 17415 1 219 . 1 1 64 64 ALA N N 15 128.4 0.1 . 1 . . . A 65 ALA N . 17415 1 220 . 1 1 66 66 ARG CA C 13 50.6 0.1 . 1 . . . A 67 ARG CA . 17415 1 221 . 1 1 66 66 ARG CB C 13 31.9 0.1 . 1 . . . A 67 ARG CB . 17415 1 222 . 1 1 67 67 GLY H H 1 10.25 0.02 . 1 . . . A 68 GLY H . 17415 1 223 . 1 1 67 67 GLY CA C 13 46.0 0.1 . 1 . . . A 68 GLY CA . 17415 1 224 . 1 1 67 67 GLY N N 15 112.2 0.1 . 1 . . . A 68 GLY N . 17415 1 225 . 1 1 68 68 GLN H H 1 8.83 0.02 . 1 . . . A 69 GLN H . 17415 1 226 . 1 1 68 68 GLN CA C 13 50.6 0.1 . 1 . . . A 69 GLN CA . 17415 1 227 . 1 1 68 68 GLN CB C 13 26.8 0.1 . 1 . . . A 69 GLN CB . 17415 1 228 . 1 1 68 68 GLN N N 15 119.6 0.1 . 1 . . . A 69 GLN N . 17415 1 229 . 1 1 69 69 LEU H H 1 6.36 0.02 . 1 . . . A 70 LEU H . 17415 1 230 . 1 1 69 69 LEU CA C 13 54.5 0.1 . 1 . . . A 70 LEU CA . 17415 1 231 . 1 1 69 69 LEU CB C 13 41.5 0.1 . 1 . . . A 70 LEU CB . 17415 1 232 . 1 1 69 69 LEU N N 15 116.6 0.1 . 1 . . . A 70 LEU N . 17415 1 233 . 1 1 70 70 ILE H H 1 7.55 0.02 . 1 . . . A 71 ILE H . 17415 1 234 . 1 1 70 70 ILE CA C 13 60.3 0.1 . 1 . . . A 71 ILE CA . 17415 1 235 . 1 1 70 70 ILE N N 15 121.4 0.1 . 1 . . . A 71 ILE N . 17415 1 236 . 1 1 71 71 ARG H H 1 8.06 0.02 . 1 . . . A 72 ARG H . 17415 1 237 . 1 1 71 71 ARG N N 15 115.4 0.1 . 1 . . . A 72 ARG N . 17415 1 238 . 1 1 74 74 TYR H H 1 7.89 0.02 . 1 . . . A 75 TYR H . 17415 1 239 . 1 1 74 74 TYR N N 15 117.8 0.1 . 1 . . . A 75 TYR N . 17415 1 240 . 1 1 76 76 ASP H H 1 7.61 0.02 . 1 . . . A 77 ASP H . 17415 1 241 . 1 1 76 76 ASP CA C 13 50.6 0.1 . 1 . . . A 77 ASP CA . 17415 1 242 . 1 1 76 76 ASP CB C 13 37.6 0.1 . 1 . . . A 77 ASP CB . 17415 1 243 . 1 1 76 76 ASP N N 15 119.9 0.1 . 1 . . . A 77 ASP N . 17415 1 244 . 1 1 77 77 TYR H H 1 7.32 0.02 . 1 . . . A 78 TYR H . 17415 1 245 . 1 1 77 77 TYR CA C 13 56.4 0.1 . 1 . . . A 78 TYR CA . 17415 1 246 . 1 1 77 77 TYR CB C 13 35.6 0.1 . 1 . . . A 78 TYR CB . 17415 1 247 . 1 1 77 77 TYR N N 15 121.7 0.1 . 1 . . . A 78 TYR N . 17415 1 248 . 1 1 78 78 ARG H H 1 7.24 0.02 . 1 . . . A 79 ARG H . 17415 1 249 . 1 1 78 78 ARG CA C 13 57.1 0.1 . 1 . . . A 79 ARG CA . 17415 1 250 . 1 1 78 78 ARG CB C 13 26.9 0.1 . 1 . . . A 79 ARG CB . 17415 1 251 . 1 1 78 78 ARG N N 15 121.4 0.02 . 1 . . . A 79 ARG N . 17415 1 252 . 1 1 79 79 HIS H H 1 6.85 0.02 . 1 . . . A 80 HIS H . 17415 1 253 . 1 1 79 79 HIS CA C 13 57.6 0.1 . 1 . . . A 80 HIS CA . 17415 1 254 . 1 1 79 79 HIS CB C 13 28.3 0.1 . 1 . . . A 80 HIS CB . 17415 1 255 . 1 1 79 79 HIS N N 15 113.1 0.1 . 1 . . . A 80 HIS N . 17415 1 256 . 1 1 80 80 PHE H H 1 7.92 0.02 . 1 . . . A 81 PHE H . 17415 1 257 . 1 1 80 80 PHE CA C 13 54.2 0.1 . 1 . . . A 81 PHE CA . 17415 1 258 . 1 1 80 80 PHE N N 15 119.0 0.1 . 1 . . . A 81 PHE N . 17415 1 259 . 1 1 81 81 SER H H 1 8.97 0.02 . 1 . . . A 82 SER H . 17415 1 260 . 1 1 81 81 SER CA C 13 55.6 0.1 . 1 . . . A 82 SER CA . 17415 1 261 . 1 1 81 81 SER CB C 13 62.5 0.1 . 1 . . . A 82 SER CB . 17415 1 262 . 1 1 81 81 SER N N 15 117.5 0.1 . 1 . . . A 82 SER N . 17415 1 263 . 1 1 82 82 SER H H 1 9.91 0.02 . 1 . . . A 83 SER H . 17415 1 264 . 1 1 82 82 SER CA C 13 59.4 0.1 . 1 . . . A 83 SER CA . 17415 1 265 . 1 1 82 82 SER CB C 13 60.6 0.1 . 1 . . . A 83 SER CB . 17415 1 266 . 1 1 82 82 SER N N 15 127.6 0.1 . 1 . . . A 83 SER N . 17415 1 267 . 1 1 83 83 GLU H H 1 8.19 0.02 . 1 . . . A 84 GLU H . 17415 1 268 . 1 1 83 83 GLU CA C 13 57.9 0.1 . 1 . . . A 84 GLU CA . 17415 1 269 . 1 1 83 83 GLU N N 15 119.0 0.1 . 1 . . . A 84 GLU N . 17415 1 270 . 1 1 84 84 CYS H H 1 5.66 0.02 . 1 . . . A 85 CYS H . 17415 1 271 . 1 1 84 84 CYS CA C 13 53.0 0.1 . 1 . . . A 85 CYS CA . 17415 1 272 . 1 1 84 84 CYS CB C 13 25.9 0.1 . 1 . . . A 85 CYS CB . 17415 1 273 . 1 1 84 84 CYS N N 15 111.6 0.1 . 1 . . . A 85 CYS N . 17415 1 274 . 1 1 85 85 PRO CA C 13 60.7 0.1 . 1 . . . A 86 PRO CA . 17415 1 275 . 1 1 86 86 PHE H H 1 5.90 0.02 . 1 . . . A 87 PHE H . 17415 1 276 . 1 1 86 86 PHE CA C 13 52.7 0.1 . 1 . . . A 87 PHE CA . 17415 1 277 . 1 1 86 86 PHE CB C 13 39.0 0.1 . 1 . . . A 87 PHE CB . 17415 1 278 . 1 1 86 86 PHE N N 15 117.5 0.1 . 1 . . . A 87 PHE N . 17415 1 279 . 1 1 87 87 ILE H H 1 6.01 0.02 . 1 . . . A 88 ILE H . 17415 1 280 . 1 1 87 87 ILE CA C 13 56.2 0.1 . 1 . . . A 88 ILE CA . 17415 1 281 . 1 1 87 87 ILE CB C 13 39.3 0.1 . 1 . . . A 88 ILE CB . 17415 1 282 . 1 1 87 87 ILE N N 15 121.4 0.1 . 1 . . . A 88 ILE N . 17415 1 283 . 1 1 88 88 PRO CA C 13 60.7 0.1 . 1 . . . A 89 PRO CA . 17415 1 284 . 1 1 88 88 PRO CB C 13 29.1 0.1 . 1 . . . A 89 PRO CB . 17415 1 285 . 1 1 89 89 ARG H H 1 9.45 0.02 . 1 . . . A 90 ARG H . 17415 1 286 . 1 1 89 89 ARG CA C 13 59.3 0.1 . 1 . . . A 90 ARG CA . 17415 1 287 . 1 1 89 89 ARG CB C 13 34.0 0.1 . 1 . . . A 90 ARG CB . 17415 1 288 . 1 1 89 89 ARG N N 15 124.3 0.1 . 1 . . . A 90 ARG N . 17415 1 289 . 1 1 90 90 GLU H H 1 9.39 0.02 . 1 . . . A 91 GLU H . 17415 1 290 . 1 1 90 90 GLU CA C 13 58.8 0.1 . 1 . . . A 91 GLU CA . 17415 1 291 . 1 1 90 90 GLU CB C 13 26.7 0.1 . 1 . . . A 91 GLU CB . 17415 1 292 . 1 1 90 90 GLU N N 15 116.0 0.1 . 1 . . . A 91 GLU N . 17415 1 293 . 1 1 91 91 ALA H H 1 7.30 0.02 . 1 . . . A 92 ALA H . 17415 1 294 . 1 1 91 91 ALA CA C 13 52.8 0.1 . 1 . . . A 92 ALA CA . 17415 1 295 . 1 1 91 91 ALA CB C 13 16.5 0.1 . 1 . . . A 92 ALA CB . 17415 1 296 . 1 1 91 91 ALA N N 15 123.4 0.1 . 1 . . . A 92 ALA N . 17415 1 297 . 1 1 92 92 GLY H H 1 7.49 0.02 . 1 . . . A 93 GLY H . 17415 1 298 . 1 1 92 92 GLY CA C 13 48.0 0.1 . 1 . . . A 93 GLY CA . 17415 1 299 . 1 1 92 92 GLY N N 15 104.7 0.1 . 1 . . . A 93 GLY N . 17415 1 300 . 1 1 93 93 GLU H H 1 8.99 0.02 . 1 . . . A 94 GLU H . 17415 1 301 . 1 1 93 93 GLU CA C 13 57.7 0.1 . 1 . . . A 94 GLU CA . 17415 1 302 . 1 1 93 93 GLU CB C 13 28.3 0.1 . 1 . . . A 94 GLU CB . 17415 1 303 . 1 1 93 93 GLU N N 15 121.1 0.1 . 1 . . . A 94 GLU N . 17415 1 304 . 1 1 94 94 ALA H H 1 6.99 0.02 . 1 . . . A 95 ALA H . 17415 1 305 . 1 1 94 94 ALA CA C 13 51.3 0.1 . 1 . . . A 95 ALA CA . 17415 1 306 . 1 1 94 94 ALA CB C 13 17.4 0.1 . 1 . . . A 95 ALA CB . 17415 1 307 . 1 1 94 94 ALA N N 15 120.5 0.1 . 1 . . . A 95 ALA N . 17415 1 308 . 1 1 95 95 TYR H H 1 7.45 0.02 . 1 . . . A 96 TYR H . 17415 1 309 . 1 1 95 95 TYR CA C 13 58.8 0.1 . 1 . . . A 96 TYR CA . 17415 1 310 . 1 1 95 95 TYR CB C 13 36.0 0.1 . 1 . . . A 96 TYR CB . 17415 1 311 . 1 1 95 95 TYR N N 15 121.7 0.1 . 1 . . . A 96 TYR N . 17415 1 312 . 1 1 96 96 ASP H H 1 7.28 0.02 . 1 . . . A 97 ASP H . 17415 1 313 . 1 1 96 96 ASP CA C 13 51.1 0.1 . 1 . . . A 97 ASP CA . 17415 1 314 . 1 1 96 96 ASP CB C 13 39.1 0.1 . 1 . . . A 97 ASP CB . 17415 1 315 . 1 1 96 96 ASP N N 15 126.4 0.1 . 1 . . . A 97 ASP N . 17415 1 316 . 1 1 97 97 PHE H H 1 5.57 0.02 . 1 . . . A 98 PHE H . 17415 1 317 . 1 1 97 97 PHE CA C 13 54.8 0.1 . 1 . . . A 98 PHE CA . 17415 1 318 . 1 1 97 97 PHE CB C 13 36.6 0.1 . 1 . . . A 98 PHE CB . 17415 1 319 . 1 1 97 97 PHE N N 15 121.7 0.1 . 1 . . . A 98 PHE N . 17415 1 320 . 1 1 98 98 ILE H H 1 7.28 0.02 . 1 . . . A 99 ILE H . 17415 1 321 . 1 1 98 98 ILE CA C 13 56.4 0.1 . 1 . . . A 99 ILE CA . 17415 1 322 . 1 1 98 98 ILE N N 15 123.4 0.1 . 1 . . . A 99 ILE N . 17415 1 323 . 1 1 99 99 PRO CA C 13 62.0 0.1 . 1 . . . A 100 PRO CA . 17415 1 324 . 1 1 99 99 PRO CB C 13 26.9 0.1 . 1 . . . A 100 PRO CB . 17415 1 325 . 1 1 100 100 THR H H 1 7.34 0.02 . 1 . . . A 101 THR H . 17415 1 326 . 1 1 100 100 THR CA C 13 64.2 0.1 . 1 . . . A 101 THR CA . 17415 1 327 . 1 1 100 100 THR CB C 13 67.1 0.1 . 1 . . . A 101 THR CB . 17415 1 328 . 1 1 100 100 THR N N 15 112.7 0.1 . 1 . . . A 101 THR N . 17415 1 329 . 1 1 101 101 SER H H 1 8.00 0.02 . 1 . . . A 102 SER H . 17415 1 330 . 1 1 101 101 SER CA C 13 57.5 0.1 . 1 . . . A 102 SER CA . 17415 1 331 . 1 1 101 101 SER CB C 13 62.7 0.1 . 1 . . . A 102 SER CB . 17415 1 332 . 1 1 101 101 SER N N 15 112.2 0.1 . 1 . . . A 102 SER N . 17415 1 333 . 1 1 102 102 MET H H 1 7.63 0.02 . 1 . . . A 103 MET H . 17415 1 334 . 1 1 102 102 MET CA C 13 53.3 0.1 . 1 . . . A 103 MET CA . 17415 1 335 . 1 1 102 102 MET CB C 13 34.7 0.1 . 1 . . . A 103 MET CB . 17415 1 336 . 1 1 102 102 MET N N 15 119.3 0.1 . 1 . . . A 103 MET N . 17415 1 337 . 1 1 103 103 ASP H H 1 8.80 0.02 . 1 . . . A 104 ASP H . 17415 1 338 . 1 1 103 103 ASP CA C 13 50.6 0.1 . 1 . . . A 104 ASP CA . 17415 1 339 . 1 1 103 103 ASP CB C 13 40.7 0.1 . 1 . . . A 104 ASP CB . 17415 1 340 . 1 1 103 103 ASP N N 15 119.6 0.1 . 1 . . . A 104 ASP N . 17415 1 341 . 1 1 105 105 PRO CA C 13 63.0 0.1 . 1 . . . A 106 PRO CA . 17415 1 342 . 1 1 105 105 PRO CB C 13 33.3 0.1 . 1 . . . A 106 PRO CB . 17415 1 343 . 1 1 106 106 GLU H H 1 8.69 0.02 . 1 . . . A 107 GLU H . 17415 1 344 . 1 1 106 106 GLU CA C 13 59.0 0.1 . 1 . . . A 107 GLU CA . 17415 1 345 . 1 1 106 106 GLU CB C 13 28.1 0.1 . 1 . . . A 107 GLU CB . 17415 1 346 . 1 1 106 106 GLU N N 15 127.9 0.1 . 1 . . . A 107 GLU N . 17415 1 347 . 1 1 107 107 GLN H H 1 7.60 0.02 . 1 . . . A 108 GLN H . 17415 1 348 . 1 1 107 107 GLN CA C 13 56.8 0.1 . 1 . . . A 108 GLN CA . 17415 1 349 . 1 1 107 107 GLN CB C 13 26.1 0.1 . 1 . . . A 108 GLN CB . 17415 1 350 . 1 1 107 107 GLN N N 15 113.6 0.1 . 1 . . . A 108 GLN N . 17415 1 351 . 1 1 108 108 ARG H H 1 7.54 0.02 . 1 . . . A 109 ARG H . 17415 1 352 . 1 1 108 108 ARG CA C 13 57.7 0.1 . 1 . . . A 109 ARG CA . 17415 1 353 . 1 1 108 108 ARG CB C 13 27.1 0.1 . 1 . . . A 109 ARG CB . 17415 1 354 . 1 1 108 108 ARG N N 15 118.1 0.1 . 1 . . . A 109 ARG N . 17415 1 355 . 1 1 110 110 PHE H H 1 6.97 0.02 . 1 . . . A 111 PHE H . 17415 1 356 . 1 1 110 110 PHE CA C 13 60.3 0.1 . 1 . . . A 111 PHE CA . 17415 1 357 . 1 1 110 110 PHE CB C 13 38.4 0.1 . 1 . . . A 111 PHE CB . 17415 1 358 . 1 1 110 110 PHE N N 15 117.8 0.1 . 1 . . . A 111 PHE N . 17415 1 359 . 1 1 111 111 ARG H H 1 8.48 0.02 . 1 . . . A 112 ARG H . 17415 1 360 . 1 1 111 111 ARG CA C 13 59.1 0.1 . 1 . . . A 112 ARG CA . 17415 1 361 . 1 1 111 111 ARG CB C 13 28.4 0.1 . 1 . . . A 112 ARG CB . 17415 1 362 . 1 1 111 111 ARG N N 15 122.0 0.1 . 1 . . . A 112 ARG N . 17415 1 363 . 1 1 112 112 ALA H H 1 7.57 0.02 . 1 . . . A 113 ALA H . 17415 1 364 . 1 1 112 112 ALA CA C 13 53.7 0.1 . 1 . . . A 113 ALA CA . 17415 1 365 . 1 1 112 112 ALA CB C 13 16.5 0.1 . 1 . . . A 113 ALA CB . 17415 1 366 . 1 1 112 112 ALA N N 15 119.9 0.1 . 1 . . . A 113 ALA N . 17415 1 367 . 1 1 113 113 LEU H H 1 6.92 0.02 . 1 . . . A 114 LEU H . 17415 1 368 . 1 1 113 113 LEU CA C 13 56.3 0.1 . 1 . . . A 114 LEU CA . 17415 1 369 . 1 1 113 113 LEU CB C 13 39.9 0.1 . 1 . . . A 114 LEU CB . 17415 1 370 . 1 1 113 113 LEU N N 15 120.2 0.1 . 1 . . . A 114 LEU N . 17415 1 371 . 1 1 114 114 ALA H H 1 7.92 0.02 . 1 . . . A 115 ALA H . 17415 1 372 . 1 1 114 114 ALA CA C 13 53.9 0.1 . 1 . . . A 115 ALA CA . 17415 1 373 . 1 1 114 114 ALA CB C 13 15.6 0.1 . 1 . . . A 115 ALA CB . 17415 1 374 . 1 1 114 114 ALA N N 15 120.2 0.1 . 1 . . . A 115 ALA N . 17415 1 375 . 1 1 115 115 ASN H H 1 8.55 0.02 . 1 . . . A 116 ASN H . 17415 1 376 . 1 1 115 115 ASN CA C 13 54.7 0.1 . 1 . . . A 116 ASN CA . 17415 1 377 . 1 1 115 115 ASN CB C 13 37.8 0.1 . 1 . . . A 116 ASN CB . 17415 1 378 . 1 1 115 115 ASN N N 15 116.0 0.1 . 1 . . . A 116 ASN N . 17415 1 379 . 1 1 116 116 GLN H H 1 7.62 0.02 . 1 . . . A 117 GLN H . 17415 1 380 . 1 1 116 116 GLN CA C 13 57.0 0.1 . 1 . . . A 117 GLN CA . 17415 1 381 . 1 1 116 116 GLN CB C 13 27.0 0.1 . 1 . . . A 117 GLN CB . 17415 1 382 . 1 1 116 116 GLN N N 15 116.9 0.1 . 1 . . . A 117 GLN N . 17415 1 383 . 1 1 117 117 VAL H H 1 7.34 0.02 . 1 . . . A 118 VAL H . 17415 1 384 . 1 1 117 117 VAL CA C 13 61.5 0.1 . 1 . . . A 118 VAL CA . 17415 1 385 . 1 1 117 117 VAL CB C 13 31.0 0.1 . 1 . . . A 118 VAL CB . 17415 1 386 . 1 1 117 117 VAL N N 15 110.1 0.1 . 1 . . . A 118 VAL N . 17415 1 387 . 1 1 118 118 VAL H H 1 6.99 0.02 . 1 . . . A 119 VAL H . 17415 1 388 . 1 1 118 118 VAL CA C 13 59.0 0.1 . 1 . . . A 119 VAL CA . 17415 1 389 . 1 1 118 118 VAL CB C 13 32.3 0.1 . 1 . . . A 119 VAL CB . 17415 1 390 . 1 1 118 118 VAL N N 15 106.8 0.1 . 1 . . . A 119 VAL N . 17415 1 391 . 1 1 119 119 GLY H H 1 7.26 0.02 . 1 . . . A 120 GLY H . 17415 1 392 . 1 1 119 119 GLY CA C 13 43.0 0.1 . 1 . . . A 120 GLY CA . 17415 1 393 . 1 1 119 119 GLY N N 15 105.9 0.1 . 1 . . . A 120 GLY N . 17415 1 394 . 1 1 120 120 MET H H 1 8.52 0.02 . 1 . . . A 121 MET H . 17415 1 395 . 1 1 120 120 MET CA C 13 58.4 0.1 . 1 . . . A 121 MET CA . 17415 1 396 . 1 1 120 120 MET CB C 13 28.1 0.1 . 1 . . . A 121 MET CB . 17415 1 397 . 1 1 120 120 MET N N 15 118.1 0.1 . 1 . . . A 121 MET N . 17415 1 398 . 1 1 121 121 PRO CA C 13 64.8 0.1 . 1 . . . A 122 PRO CA . 17415 1 399 . 1 1 122 122 VAL H H 1 7.30 0.02 . 1 . . . A 123 VAL H . 17415 1 400 . 1 1 122 122 VAL CA C 13 64.0 0.1 . 1 . . . A 123 VAL CA . 17415 1 401 . 1 1 122 122 VAL CB C 13 29.9 0.1 . 1 . . . A 123 VAL CB . 17415 1 402 . 1 1 122 122 VAL N N 15 117.8 0.1 . 1 . . . A 123 VAL N . 17415 1 403 . 1 1 123 123 VAL H H 1 7.48 0.02 . 1 . . . A 124 VAL H . 17415 1 404 . 1 1 123 123 VAL CA C 13 65.9 0.1 . 1 . . . A 124 VAL CA . 17415 1 405 . 1 1 123 123 VAL CB C 13 29.6 0.1 . 1 . . . A 124 VAL CB . 17415 1 406 . 1 1 123 123 VAL N N 15 121.7 0.1 . 1 . . . A 124 VAL N . 17415 1 407 . 1 1 124 124 ASP H H 1 8.26 0.02 . 1 . . . A 125 ASP H . 17415 1 408 . 1 1 124 124 ASP CA C 13 55.8 0.1 . 1 . . . A 125 ASP CA . 17415 1 409 . 1 1 124 124 ASP N N 15 117.8 0.1 . 1 . . . A 125 ASP N . 17415 1 410 . 1 1 125 125 LYS H H 1 7.25 0.02 . 1 . . . A 126 LYS H . 17415 1 411 . 1 1 125 125 LYS CA C 13 57.3 0.1 . 1 . . . A 126 LYS CA . 17415 1 412 . 1 1 125 125 LYS CB C 13 30.7 0.1 . 1 . . . A 126 LYS CB . 17415 1 413 . 1 1 125 125 LYS N N 15 119.0 0.1 . 1 . . . A 126 LYS N . 17415 1 414 . 1 1 126 126 LEU H H 1 7.84 0.02 . 1 . . . A 127 LEU H . 17415 1 415 . 1 1 126 126 LEU CA C 13 53.5 0.1 . 1 . . . A 127 LEU CA . 17415 1 416 . 1 1 126 126 LEU CB C 13 42.1 0.1 . 1 . . . A 127 LEU CB . 17415 1 417 . 1 1 126 126 LEU N N 15 119.9 0.1 . 1 . . . A 127 LEU N . 17415 1 418 . 1 1 127 127 GLU H H 1 7.50 0.02 . 1 . . . A 128 GLU H . 17415 1 419 . 1 1 127 127 GLU CA C 13 53.4 0.1 . 1 . . . A 128 GLU CA . 17415 1 420 . 1 1 127 127 GLU CB C 13 27.8 0.1 . 1 . . . A 128 GLU CB . 17415 1 421 . 1 1 127 127 GLU N N 15 121.1 0.1 . 1 . . . A 128 GLU N . 17415 1 422 . 1 1 128 128 ASN H H 1 8.61 0.02 . 1 . . . A 129 ASN H . 17415 1 423 . 1 1 128 128 ASN CA C 13 56.5 0.1 . 1 . . . A 129 ASN CA . 17415 1 424 . 1 1 128 128 ASN N N 15 116.4 0.1 . 1 . . . A 129 ASN N . 17415 1 425 . 1 1 129 129 ARG H H 1 7.89 0.02 . 1 . . . A 130 ARG H . 17415 1 426 . 1 1 140 140 SER CA C 13 60.2 0.1 . 1 . . . A 141 SER CA . 17415 1 427 . 1 1 140 140 SER CB C 13 61.7 0.1 . 1 . . . A 141 SER CB . 17415 1 428 . 1 1 141 141 LEU H H 1 7.34 0.02 . 1 . . . A 142 LEU H . 17415 1 429 . 1 1 141 141 LEU CA C 13 55.4 0.1 . 1 . . . A 142 LEU CA . 17415 1 430 . 1 1 141 141 LEU N N 15 120.1 0.1 . 1 . . . A 142 LEU N . 17415 1 431 . 1 1 142 142 ARG H H 1 8.88 0.02 . 1 . . . A 143 ARG H . 17415 1 432 . 1 1 142 142 ARG CA C 13 56.0 0.1 . 1 . . . A 143 ARG CA . 17415 1 433 . 1 1 142 142 ARG N N 15 120.8 0.1 . 1 . . . A 143 ARG N . 17415 1 434 . 1 1 143 143 PRO CA C 13 63.6 0.1 . 1 . . . A 144 PRO CA . 17415 1 435 . 1 1 143 143 PRO CB C 13 29.8 0.1 . 1 . . . A 144 PRO CB . 17415 1 436 . 1 1 144 144 GLN H H 1 8.33 0.02 . 1 . . . A 145 GLN H . 17415 1 437 . 1 1 144 144 GLN CA C 13 56.5 0.1 . 1 . . . A 145 GLN CA . 17415 1 438 . 1 1 144 144 GLN CB C 13 28.0 0.1 . 1 . . . A 145 GLN CB . 17415 1 439 . 1 1 144 144 GLN N N 15 113.9 0.1 . 1 . . . A 145 GLN N . 17415 1 440 . 1 1 145 145 GLY H H 1 6.46 0.02 . 1 . . . A 146 GLY H . 17415 1 441 . 1 1 145 145 GLY CA C 13 43.1 0.1 . 1 . . . A 146 GLY CA . 17415 1 442 . 1 1 145 145 GLY N N 15 101.5 0.1 . 1 . . . A 146 GLY N . 17415 1 443 . 1 1 146 146 GLN H H 1 5.85 0.02 . 1 . . . A 147 GLN H . 17415 1 444 . 1 1 146 146 GLN CA C 13 52.8 0.1 . 1 . . . A 147 GLN CA . 17415 1 445 . 1 1 146 146 GLN N N 15 111.3 0.1 . 1 . . . A 147 GLN N . 17415 1 446 . 1 1 147 147 CYS H H 1 8.24 0.02 . 1 . . . A 148 CYS H . 17415 1 447 . 1 1 147 147 CYS CA C 13 55.5 0.1 . 1 . . . A 148 CYS CA . 17415 1 448 . 1 1 147 147 CYS CB C 13 29.5 0.1 . 1 . . . A 148 CYS CB . 17415 1 449 . 1 1 147 147 CYS N N 15 110.7 0.1 . 1 . . . A 148 CYS N . 17415 1 450 . 1 1 148 148 ASN H H 1 9.10 0.02 . 1 . . . A 149 ASN H . 17415 1 451 . 1 1 148 148 ASN CA C 13 50.6 0.1 . 1 . . . A 149 ASN CA . 17415 1 452 . 1 1 148 148 ASN CB C 13 35.9 0.1 . 1 . . . A 149 ASN CB . 17415 1 453 . 1 1 148 148 ASN N N 15 119.9 0.1 . 1 . . . A 149 ASN N . 17415 1 454 . 1 1 149 149 PHE H H 1 9.31 0.02 . 1 . . . A 150 PHE H . 17415 1 455 . 1 1 149 149 PHE CA C 13 62.0 0.1 . 1 . . . A 150 PHE CA . 17415 1 456 . 1 1 149 149 PHE CB C 13 38.8 0.1 . 1 . . . A 150 PHE CB . 17415 1 457 . 1 1 149 149 PHE N N 15 124.0 0.1 . 1 . . . A 150 PHE N . 17415 1 458 . 1 1 150 150 THR H H 1 7.19 0.02 . 1 . . . A 151 THR H . 17415 1 459 . 1 1 150 150 THR CA C 13 63.5 0.1 . 1 . . . A 151 THR CA . 17415 1 460 . 1 1 150 150 THR CB C 13 65.6 0.1 . 1 . . . A 151 THR CB . 17415 1 461 . 1 1 150 150 THR N N 15 109.2 0.1 . 1 . . . A 151 THR N . 17415 1 462 . 1 1 151 151 GLU H H 1 6.20 0.02 . 1 . . . A 152 GLU H . 17415 1 463 . 1 1 151 151 GLU CA C 13 56.4 0.1 . 1 . . . A 152 GLU CA . 17415 1 464 . 1 1 151 151 GLU CB C 13 29.8 0.1 . 1 . . . A 152 GLU CB . 17415 1 465 . 1 1 151 151 GLU N N 15 118.4 0.1 . 1 . . . A 152 GLU N . 17415 1 466 . 1 1 152 152 ASP H H 1 6.96 0.02 . 1 . . . A 153 ASP H . 17415 1 467 . 1 1 152 152 ASP CA C 13 51.9 0.1 . 1 . . . A 153 ASP CA . 17415 1 468 . 1 1 153 153 TYR H H 1 6.57 0.02 . 1 . . . A 154 TYR H . 17415 1 469 . 1 1 153 153 TYR CA C 13 54.1 0.1 . 1 . . . A 154 TYR CA . 17415 1 470 . 1 1 153 153 TYR CB C 13 38.4 0.1 . 1 . . . A 154 TYR CB . 17415 1 471 . 1 1 153 153 TYR N N 15 119.0 0.1 . 1 . . . A 154 TYR N . 17415 1 472 . 1 1 154 154 ALA H H 1 8.34 0.02 . 1 . . . A 155 ALA H . 17415 1 473 . 1 1 154 154 ALA CA C 13 52.0 0.1 . 1 . . . A 155 ALA CA . 17415 1 474 . 1 1 154 154 ALA CB C 13 16.1 0.1 . 1 . . . A 155 ALA CB . 17415 1 475 . 1 1 154 154 ALA N N 15 119.0 0.1 . 1 . . . A 155 ALA N . 17415 1 476 . 1 1 158 158 PRO CA C 13 63.2 0.1 . 1 . . . A 159 PRO CA . 17415 1 477 . 1 1 158 158 PRO CB C 13 29.3 0.1 . 1 . . . A 159 PRO CB . 17415 1 478 . 1 1 159 159 ILE H H 1 7.38 0.02 . 1 . . . A 160 ILE H . 17415 1 479 . 1 1 159 159 ILE CA C 13 65.5 0.1 . 1 . . . A 160 ILE CA . 17415 1 480 . 1 1 159 159 ILE CB C 13 34.9 0.1 . 1 . . . A 160 ILE CB . 17415 1 481 . 1 1 159 159 ILE N N 15 116.0 0.1 . 1 . . . A 160 ILE N . 17415 1 482 . 1 1 160 160 ARG H H 1 7.51 0.02 . 1 . . . A 161 ARG H . 17415 1 483 . 1 1 160 160 ARG CA C 13 58.7 0.1 . 1 . . . A 161 ARG CA . 17415 1 484 . 1 1 160 160 ARG N N 15 117.5 0.1 . 1 . . . A 161 ARG N . 17415 1 485 . 1 1 161 161 ILE H H 1 8.27 0.02 . 1 . . . A 162 ILE H . 17415 1 486 . 1 1 161 161 ILE CA C 13 56.2 0.1 . 1 . . . A 162 ILE CA . 17415 1 487 . 1 1 161 161 ILE N N 15 121.4 0.1 . 1 . . . A 162 ILE N . 17415 1 488 . 1 1 162 162 PHE H H 1 7.08 0.02 . 1 . . . A 163 PHE H . 17415 1 489 . 1 1 162 162 PHE CA C 13 61.6 0.1 . 1 . . . A 163 PHE CA . 17415 1 490 . 1 1 162 162 PHE CB C 13 40.1 0.1 . 1 . . . A 163 PHE CB . 17415 1 491 . 1 1 162 162 PHE N N 15 116.0 0.1 . 1 . . . A 163 PHE N . 17415 1 492 . 1 1 163 163 MET H H 1 7.85 0.02 . 1 . . . A 164 MET H . 17415 1 493 . 1 1 163 163 MET CA C 13 56.5 0.1 . 1 . . . A 164 MET CA . 17415 1 494 . 1 1 163 163 MET CB C 13 26.8 0.1 . 1 . . . A 164 MET CB . 17415 1 495 . 1 1 163 163 MET N N 15 126.1 0.1 . 1 . . . A 164 MET N . 17415 1 496 . 1 1 164 164 LEU H H 1 7.28 0.02 . 1 . . . A 165 LEU H . 17415 1 497 . 1 1 164 164 LEU CA C 13 52.7 0.1 . 1 . . . A 165 LEU CA . 17415 1 498 . 1 1 164 164 LEU CB C 13 39.4 0.1 . 1 . . . A 165 LEU CB . 17415 1 499 . 1 1 164 164 LEU N N 15 118.7 0.1 . 1 . . . A 165 LEU N . 17415 1 500 . 1 1 166 166 ALA CA C 13 51.2 0.1 . 1 . . . A 167 ALA CA . 17415 1 501 . 1 1 166 166 ALA CB C 13 16.9 0.1 . 1 . . . A 167 ALA CB . 17415 1 502 . 1 1 167 167 GLY H H 1 7.72 0.02 . 1 . . . A 168 GLY H . 17415 1 503 . 1 1 167 167 GLY CA C 13 46.2 0.1 . 1 . . . A 168 GLY CA . 17415 1 504 . 1 1 167 167 GLY N N 15 108.9 0.1 . 1 . . . A 168 GLY N . 17415 1 505 . 1 1 168 168 LEU H H 1 8.45 0.02 . 1 . . . A 169 LEU H . 17415 1 506 . 1 1 168 168 LEU CA C 13 50.4 0.1 . 1 . . . A 169 LEU CA . 17415 1 507 . 1 1 168 168 LEU CB C 13 40.9 0.1 . 1 . . . A 169 LEU CB . 17415 1 508 . 1 1 168 168 LEU N N 15 122.3 0.1 . 1 . . . A 169 LEU N . 17415 1 509 . 1 1 169 169 PRO CA C 13 61.3 0.1 . 1 . . . A 170 PRO CA . 17415 1 510 . 1 1 169 169 PRO CB C 13 30.8 0.1 . 1 . . . A 170 PRO CB . 17415 1 511 . 1 1 170 170 GLU H H 1 8.73 0.02 . 1 . . . A 171 GLU H . 17415 1 512 . 1 1 170 170 GLU CA C 13 58.1 0.1 . 1 . . . A 171 GLU CA . 17415 1 513 . 1 1 170 170 GLU CB C 13 27.8 0.1 . 1 . . . A 171 GLU CB . 17415 1 514 . 1 1 170 170 GLU N N 15 123.1 0.1 . 1 . . . A 171 GLU N . 17415 1 515 . 1 1 171 171 GLU H H 1 9.36 0.02 . 1 . . . A 172 GLU H . 17415 1 516 . 1 1 171 171 GLU CA C 13 57.8 0.1 . 1 . . . A 172 GLU CA . 17415 1 517 . 1 1 171 171 GLU CB C 13 26.9 0.1 . 1 . . . A 172 GLU CB . 17415 1 518 . 1 1 171 171 GLU N N 15 119.9 0.1 . 1 . . . A 172 GLU N . 17415 1 519 . 1 1 172 172 ASP H H 1 6.31 0.02 . 1 . . . A 173 ASP H . 17415 1 520 . 1 1 172 172 ASP CA C 13 54.8 0.1 . 1 . . . A 173 ASP CA . 17415 1 521 . 1 1 172 172 ASP CB C 13 42.0 0.1 . 1 . . . A 173 ASP CB . 17415 1 522 . 1 1 172 172 ASP N N 15 117.2 0.1 . 1 . . . A 173 ASP N . 17415 1 523 . 1 1 174 174 PRO CA C 13 60.4 0.1 . 1 . . . A 175 PRO CA . 17415 1 524 . 1 1 174 174 PRO CB C 13 29.1 0.1 . 1 . . . A 175 PRO CB . 17415 1 525 . 1 1 175 175 HIS H H 1 7.58 0.02 . 1 . . . A 176 HIS H . 17415 1 526 . 1 1 175 175 HIS CA C 13 56.0 0.1 . 1 . . . A 176 HIS CA . 17415 1 527 . 1 1 175 175 HIS CB C 13 27.3 0.1 . 1 . . . A 176 HIS CB . 17415 1 528 . 1 1 175 175 HIS N N 15 117.5 0.1 . 1 . . . A 176 HIS N . 17415 1 529 . 1 1 176 176 LEU H H 1 7.70 0.02 . 1 . . . A 177 LEU H . 17415 1 530 . 1 1 176 176 LEU CA C 13 56.5 0.1 . 1 . . . A 177 LEU CA . 17415 1 531 . 1 1 176 176 LEU CB C 13 39.0 0.1 . 1 . . . A 177 LEU CB . 17415 1 532 . 1 1 176 176 LEU N N 15 125.2 0.1 . 1 . . . A 177 LEU N . 17415 1 533 . 1 1 177 177 LYS H H 1 8.08 0.02 . 1 . . . A 178 LYS H . 17415 1 534 . 1 1 177 177 LYS CA C 13 59.7 0.1 . 1 . . . A 178 LYS CA . 17415 1 535 . 1 1 177 177 LYS N N 15 120.2 0.1 . 1 . . . A 178 LYS N . 17415 1 536 . 1 1 178 178 TYR CA C 13 54.1 0.1 . 1 . . . A 179 TYR CA . 17415 1 537 . 1 1 179 179 LEU H H 1 7.11 0.02 . 1 . . . A 180 LEU H . 17415 1 538 . 1 1 179 179 LEU CA C 13 56.3 0.1 . 1 . . . A 180 LEU CA . 17415 1 539 . 1 1 179 179 LEU CB C 13 40.7 0.1 . 1 . . . A 180 LEU CB . 17415 1 540 . 1 1 179 179 LEU N N 15 114.9 0.1 . 1 . . . A 180 LEU N . 17415 1 541 . 1 1 180 180 THR H H 1 7.93 0.02 . 1 . . . A 181 THR H . 17415 1 542 . 1 1 180 180 THR CA C 13 65.3 0.1 . 1 . . . A 181 THR CA . 17415 1 543 . 1 1 180 180 THR CB C 13 66.8 0.1 . 1 . . . A 181 THR CB . 17415 1 544 . 1 1 180 180 THR N N 15 111.8 0.1 . 1 . . . A 181 THR N . 17415 1 545 . 1 1 183 183 MET CA C 13 56.4 0.1 . 1 . . . A 184 MET CA . 17415 1 546 . 1 1 183 183 MET CB C 13 39.4 0.1 . 1 . . . A 184 MET CB . 17415 1 547 . 1 1 184 184 THR H H 1 6.99 0.02 . 1 . . . A 185 THR H . 17415 1 548 . 1 1 184 184 THR CA C 13 63.7 0.1 . 1 . . . A 185 THR CA . 17415 1 549 . 1 1 184 184 THR CB C 13 68.3 0.1 . 1 . . . A 185 THR CB . 17415 1 550 . 1 1 184 184 THR N N 15 108.6 0.1 . 1 . . . A 185 THR N . 17415 1 551 . 1 1 185 185 ARG H H 1 6.47 0.02 . 1 . . . A 186 ARG H . 17415 1 552 . 1 1 185 185 ARG CA C 13 56.2 0.1 . 1 . . . A 186 ARG CA . 17415 1 553 . 1 1 185 185 ARG CB C 13 31.7 0.1 . 1 . . . A 186 ARG CB . 17415 1 554 . 1 1 185 185 ARG N N 15 118.7 0.1 . 1 . . . A 186 ARG N . 17415 1 555 . 1 1 186 186 PRO CA C 13 61.4 0.1 . 1 . . . A 187 PRO CA . 17415 1 556 . 1 1 186 186 PRO CB C 13 30.4 0.1 . 1 . . . A 187 PRO CB . 17415 1 557 . 1 1 187 187 ASP H H 1 8.43 0.02 . 1 . . . A 188 ASP H . 17415 1 558 . 1 1 187 187 ASP CA C 13 51.8 0.1 . 1 . . . A 188 ASP CA . 17415 1 559 . 1 1 187 187 ASP CB C 13 41.7 0.1 . 1 . . . A 188 ASP CB . 17415 1 560 . 1 1 187 187 ASP N N 15 126.7 0.1 . 1 . . . A 188 ASP N . 17415 1 561 . 1 1 188 188 GLY H H 1 8.64 0.02 . 1 . . . A 189 GLY H . 17415 1 562 . 1 1 188 188 GLY CA C 13 43.5 0.1 . 1 . . . A 189 GLY CA . 17415 1 563 . 1 1 188 188 GLY N N 15 110.4 0.1 . 1 . . . A 189 GLY N . 17415 1 564 . 1 1 189 189 SER H H 1 8.71 0.02 . 1 . . . A 190 SER H . 17415 1 565 . 1 1 189 189 SER CA C 13 59.5 0.1 . 1 . . . A 190 SER CA . 17415 1 566 . 1 1 189 189 SER CB C 13 61.8 0.1 . 1 . . . A 190 SER CB . 17415 1 567 . 1 1 189 189 SER N N 15 119.6 0.1 . 1 . . . A 190 SER N . 17415 1 568 . 1 1 190 190 MET H H 1 8.29 0.02 . 1 . . . A 191 MET H . 17415 1 569 . 1 1 190 190 MET CA C 13 54.2 0.1 . 1 . . . A 191 MET CA . 17415 1 570 . 1 1 190 190 MET CB C 13 35.9 0.1 . 1 . . . A 191 MET CB . 17415 1 571 . 1 1 190 190 MET N N 15 121.1 0.1 . 1 . . . A 191 MET N . 17415 1 572 . 1 1 191 191 THR H H 1 8.81 0.02 . 1 . . . A 192 THR H . 17415 1 573 . 1 1 191 191 THR CA C 13 60.0 0.1 . 1 . . . A 192 THR CA . 17415 1 574 . 1 1 191 191 THR CB C 13 69.5 0.1 . 1 . . . A 192 THR CB . 17415 1 575 . 1 1 191 191 THR N N 15 117.2 0.1 . 1 . . . A 192 THR N . 17415 1 576 . 1 1 192 192 PHE H H 1 8.72 0.02 . 1 . . . A 193 PHE H . 17415 1 577 . 1 1 192 192 PHE CA C 13 61.4 0.1 . 1 . . . A 193 PHE CA . 17415 1 578 . 1 1 192 192 PHE CB C 13 36.8 0.1 . 1 . . . A 193 PHE CB . 17415 1 579 . 1 1 192 192 PHE N N 15 123.7 0.1 . 1 . . . A 193 PHE N . 17415 1 580 . 1 1 193 193 ALA H H 1 8.61 0.02 . 1 . . . A 194 ALA H . 17415 1 581 . 1 1 193 193 ALA CA C 13 54.1 0.1 . 1 . . . A 194 ALA CA . 17415 1 582 . 1 1 193 193 ALA CB C 13 16.5 0.1 . 1 . . . A 194 ALA CB . 17415 1 583 . 1 1 193 193 ALA N N 15 119.3 0.1 . 1 . . . A 194 ALA N . 17415 1 584 . 1 1 194 194 GLU H H 1 7.57 0.02 . 1 . . . A 195 GLU H . 17415 1 585 . 1 1 194 194 GLU CA C 13 57.2 0.1 . 1 . . . A 195 GLU CA . 17415 1 586 . 1 1 194 194 GLU CB C 13 28.6 0.1 . 1 . . . A 195 GLU CB . 17415 1 587 . 1 1 194 194 GLU N N 15 117.8 0.1 . 1 . . . A 195 GLU N . 17415 1 588 . 1 1 195 195 ALA H H 1 7.87 0.02 . 1 . . . A 196 ALA H . 17415 1 589 . 1 1 195 195 ALA CA C 13 53.8 0.1 . 1 . . . A 196 ALA CA . 17415 1 590 . 1 1 195 195 ALA CB C 13 16.0 0.1 . 1 . . . A 196 ALA CB . 17415 1 591 . 1 1 195 195 ALA N N 15 125.2 0.1 . 1 . . . A 196 ALA N . 17415 1 592 . 1 1 196 196 LYS H H 1 8.25 0.02 . 1 . . . A 197 LYS H . 17415 1 593 . 1 1 196 196 LYS CA C 13 58.1 0.1 . 1 . . . A 197 LYS CA . 17415 1 594 . 1 1 196 196 LYS CB C 13 29.0 0.1 . 1 . . . A 197 LYS CB . 17415 1 595 . 1 1 196 196 LYS N N 15 119.0 0.1 . 1 . . . A 197 LYS N . 17415 1 596 . 1 1 197 197 GLU CA C 13 58.7 0.1 . 1 . . . A 198 GLU CA . 17415 1 597 . 1 1 197 197 GLU CB C 13 29.6 0.1 . 1 . . . A 198 GLU CB . 17415 1 598 . 1 1 198 198 ALA H H 1 8.07 0.02 . 1 . . . A 199 ALA H . 17415 1 599 . 1 1 198 198 ALA CA C 13 53.5 0.1 . 1 . . . A 199 ALA CA . 17415 1 600 . 1 1 198 198 ALA CB C 13 16.5 0.1 . 1 . . . A 199 ALA CB . 17415 1 601 . 1 1 198 198 ALA N N 15 121.7 0.1 . 1 . . . A 199 ALA N . 17415 1 602 . 1 1 205 205 PRO CA C 13 64.0 0.1 . 1 . . . A 206 PRO CA . 17415 1 603 . 1 1 205 205 PRO CB C 13 29.3 0.1 . 1 . . . A 206 PRO CB . 17415 1 604 . 1 1 206 206 ILE H H 1 6.53 0.02 . 1 . . . A 207 ILE H . 17415 1 605 . 1 1 206 206 ILE CA C 13 63.1 0.1 . 1 . . . A 207 ILE CA . 17415 1 606 . 1 1 206 206 ILE CB C 13 36.8 0.1 . 1 . . . A 207 ILE CB . 17415 1 607 . 1 1 206 206 ILE N N 15 119.9 0.1 . 1 . . . A 207 ILE N . 17415 1 608 . 1 1 207 207 ILE H H 1 8.24 0.02 . 1 . . . A 208 ILE H . 17415 1 609 . 1 1 207 207 ILE CA C 13 64.0 0.1 . 1 . . . A 208 ILE CA . 17415 1 610 . 1 1 207 207 ILE CB C 13 35.9 0.1 . 1 . . . A 208 ILE CB . 17415 1 611 . 1 1 207 207 ILE N N 15 121.1 0.1 . 1 . . . A 208 ILE N . 17415 1 612 . 1 1 208 208 GLU H H 1 7.68 0.02 . 1 . . . A 209 GLU H . 17415 1 613 . 1 1 208 208 GLU CA C 13 57.8 0.1 . 1 . . . A 209 GLU CA . 17415 1 614 . 1 1 208 208 GLU CB C 13 27.2 0.1 . 1 . . . A 209 GLU CB . 17415 1 615 . 1 1 208 208 GLU N N 15 117.5 0.1 . 1 . . . A 209 GLU N . 17415 1 616 . 1 1 214 214 PRO CA C 13 62.6 0.1 . 1 . . . A 215 PRO CA . 17415 1 617 . 1 1 214 214 PRO CB C 13 30.6 0.1 . 1 . . . A 215 PRO CB . 17415 1 618 . 1 1 215 215 GLY H H 1 8.49 0.02 . 1 . . . A 216 GLY H . 17415 1 619 . 1 1 215 215 GLY CA C 13 42.4 0.1 . 1 . . . A 216 GLY CA . 17415 1 620 . 1 1 215 215 GLY N N 15 111.3 0.1 . 1 . . . A 216 GLY N . 17415 1 621 . 1 1 216 216 THR H H 1 8.59 0.02 . 1 . . . A 217 THR H . 17415 1 622 . 1 1 216 216 THR CA C 13 59.8 0.1 . 1 . . . A 217 THR CA . 17415 1 623 . 1 1 216 216 THR CB C 13 67.3 0.1 . 1 . . . A 217 THR CB . 17415 1 624 . 1 1 216 216 THR N N 15 109.8 0.1 . 1 . . . A 217 THR N . 17415 1 625 . 1 1 217 217 ASP H H 1 8.15 0.02 . 1 . . . A 218 ASP H . 17415 1 626 . 1 1 217 217 ASP CA C 13 51.5 0.1 . 1 . . . A 218 ASP CA . 17415 1 627 . 1 1 217 217 ASP CB C 13 41.7 0.1 . 1 . . . A 218 ASP CB . 17415 1 628 . 1 1 217 217 ASP N N 15 119.3 0.1 . 1 . . . A 218 ASP N . 17415 1 629 . 1 1 218 218 ALA H H 1 8.61 0.02 . 1 . . . A 219 ALA H . 17415 1 630 . 1 1 218 218 ALA CA C 13 54.1 0.1 . 1 . . . A 219 ALA CA . 17415 1 631 . 1 1 218 218 ALA CB C 13 18.1 0.1 . 1 . . . A 219 ALA CB . 17415 1 632 . 1 1 218 218 ALA N N 15 118.1 0.1 . 1 . . . A 219 ALA N . 17415 1 633 . 1 1 219 219 ILE H H 1 7.61 0.02 . 1 . . . A 220 ILE H . 17415 1 634 . 1 1 219 219 ILE CA C 13 63.4 0.1 . 1 . . . A 220 ILE CA . 17415 1 635 . 1 1 219 219 ILE N N 15 114.8 0.1 . 1 . . . A 220 ILE N . 17415 1 636 . 1 1 223 223 ALA CA C 13 52.5 0.1 . 1 . . . A 224 ALA CA . 17415 1 637 . 1 1 223 223 ALA CB C 13 17.1 0.1 . 1 . . . A 224 ALA CB . 17415 1 638 . 1 1 224 224 ASN H H 1 7.20 0.02 . 1 . . . A 225 ASN H . 17415 1 639 . 1 1 224 224 ASN CA C 13 51.6 0.1 . 1 . . . A 225 ASN CA . 17415 1 640 . 1 1 224 224 ASN CB C 13 39.1 0.1 . 1 . . . A 225 ASN CB . 17415 1 641 . 1 1 224 224 ASN N N 15 113.0 0.1 . 1 . . . A 225 ASN N . 17415 1 642 . 1 1 225 225 GLY H H 1 7.63 0.02 . 1 . . . A 226 GLY H . 17415 1 643 . 1 1 225 225 GLY CA C 13 44.1 0.1 . 1 . . . A 226 GLY CA . 17415 1 644 . 1 1 225 225 GLY N N 15 110.1 0.1 . 1 . . . A 226 GLY N . 17415 1 645 . 1 1 226 226 GLN H H 1 8.10 0.02 . 1 . . . A 227 GLN H . 17415 1 646 . 1 1 226 226 GLN CA C 13 53.0 0.1 . 1 . . . A 227 GLN CA . 17415 1 647 . 1 1 226 226 GLN CB C 13 30.2 0.1 . 1 . . . A 227 GLN CB . 17415 1 648 . 1 1 226 226 GLN N N 15 118.4 0.1 . 1 . . . A 227 GLN N . 17415 1 649 . 1 1 227 227 VAL H H 1 8.88 0.02 . 1 . . . A 228 VAL H . 17415 1 650 . 1 1 227 227 VAL CA C 13 58.3 0.1 . 1 . . . A 228 VAL CA . 17415 1 651 . 1 1 227 227 VAL CB C 13 32.4 0.1 . 1 . . . A 228 VAL CB . 17415 1 652 . 1 1 227 227 VAL N N 15 117.8 0.1 . 1 . . . A 228 VAL N . 17415 1 653 . 1 1 228 228 ASN H H 1 8.89 0.02 . 1 . . . A 229 ASN H . 17415 1 654 . 1 1 228 228 ASN CA C 13 52.6 0.1 . 1 . . . A 229 ASN CA . 17415 1 655 . 1 1 228 228 ASN CB C 13 36.6 0.1 . 1 . . . A 229 ASN CB . 17415 1 656 . 1 1 228 228 ASN N N 15 121.7 0.1 . 1 . . . A 229 ASN N . 17415 1 657 . 1 1 229 229 GLY H H 1 8.55 0.02 . 1 . . . A 230 GLY H . 17415 1 658 . 1 1 229 229 GLY CA C 13 44.4 0.1 . 1 . . . A 230 GLY CA . 17415 1 659 . 1 1 229 229 GLY N N 15 103.5 0.1 . 1 . . . A 230 GLY N . 17415 1 660 . 1 1 230 230 ARG H H 1 7.93 0.02 . 1 . . . A 231 ARG H . 17415 1 661 . 1 1 230 230 ARG CA C 13 51.3 0.1 . 1 . . . A 231 ARG CA . 17415 1 662 . 1 1 230 230 ARG CB C 13 28.6 0.1 . 1 . . . A 231 ARG CB . 17415 1 663 . 1 1 230 230 ARG N N 15 119.3 0.1 . 1 . . . A 231 ARG N . 17415 1 664 . 1 1 231 231 PRO CA C 13 62.0 0.1 . 1 . . . A 232 PRO CA . 17415 1 665 . 1 1 231 231 PRO CB C 13 30.1 0.1 . 1 . . . A 232 PRO CB . 17415 1 666 . 1 1 232 232 ILE H H 1 8.23 0.02 . 1 . . . A 233 ILE H . 17415 1 667 . 1 1 232 232 ILE CA C 13 60.6 0.1 . 1 . . . A 233 ILE CA . 17415 1 668 . 1 1 232 232 ILE CB C 13 38.0 0.1 . 1 . . . A 233 ILE CB . 17415 1 669 . 1 1 232 232 ILE N N 15 127.0 0.1 . 1 . . . A 233 ILE N . 17415 1 670 . 1 1 233 233 THR H H 1 9.03 0.02 . 1 . . . A 234 THR H . 17415 1 671 . 1 1 233 233 THR CA C 13 59.8 0.1 . 1 . . . A 234 THR CA . 17415 1 672 . 1 1 233 233 THR CB C 13 69.8 0.1 . 1 . . . A 234 THR CB . 17415 1 673 . 1 1 233 233 THR N N 15 119.9 0.1 . 1 . . . A 234 THR N . 17415 1 674 . 1 1 234 234 SER H H 1 9.03 0.02 . 1 . . . A 235 SER H . 17415 1 675 . 1 1 234 234 SER CA C 13 61.7 0.1 . 1 . . . A 235 SER CA . 17415 1 676 . 1 1 234 234 SER CB C 13 59.9 0.1 . 1 . . . A 235 SER CB . 17415 1 677 . 1 1 234 234 SER N N 15 118.4 0.1 . 1 . . . A 235 SER N . 17415 1 678 . 1 1 235 235 ASP H H 1 8.23 0.02 . 1 . . . A 236 ASP H . 17415 1 679 . 1 1 235 235 ASP CA C 13 56.4 0.1 . 1 . . . A 236 ASP CA . 17415 1 680 . 1 1 235 235 ASP CB C 13 40.8 0.1 . 1 . . . A 236 ASP CB . 17415 1 681 . 1 1 235 235 ASP N N 15 122.8 0.1 . 1 . . . A 236 ASP N . 17415 1 682 . 1 1 236 236 GLU H H 1 7.58 0.02 . 1 . . . A 237 GLU H . 17415 1 683 . 1 1 236 236 GLU CA C 13 57.1 0.1 . 1 . . . A 237 GLU CA . 17415 1 684 . 1 1 236 236 GLU CB C 13 28.9 0.1 . 1 . . . A 237 GLU CB . 17415 1 685 . 1 1 236 236 GLU N N 15 118.7 0.1 . 1 . . . A 237 GLU N . 17415 1 686 . 1 1 240 240 MET CA C 13 55.5 0.1 . 1 . . . A 241 MET CA . 17415 1 687 . 1 1 240 240 MET CB C 13 30.3 0.1 . 1 . . . A 241 MET CB . 17415 1 688 . 1 1 241 241 CYS H H 1 8.88 0.02 . 1 . . . A 242 CYS H . 17415 1 689 . 1 1 241 241 CYS CA C 13 48.9 0.1 . 1 . . . A 242 CYS CA . 17415 1 690 . 1 1 241 241 CYS CB C 13 40.6 0.1 . 1 . . . A 242 CYS CB . 17415 1 691 . 1 1 241 241 CYS N N 15 118.7 0.1 . 1 . . . A 242 CYS N . 17415 1 692 . 1 1 242 242 GLY H H 1 8.18 0.02 . 1 . . . A 243 GLY H . 17415 1 693 . 1 1 242 242 GLY CA C 13 45.2 0.1 . 1 . . . A 243 GLY CA . 17415 1 694 . 1 1 242 242 GLY N N 15 103.5 0.1 . 1 . . . A 243 GLY N . 17415 1 695 . 1 1 243 243 LEU H H 1 6.83 0.02 . 1 . . . A 244 LEU H . 17415 1 696 . 1 1 243 243 LEU CA C 13 52.4 0.1 . 1 . . . A 244 LEU CA . 17415 1 697 . 1 1 243 243 LEU CB C 13 39.3 0.1 . 1 . . . A 244 LEU CB . 17415 1 698 . 1 1 243 243 LEU N N 15 119.6 0.1 . 1 . . . A 244 LEU N . 17415 1 699 . 1 1 244 244 LEU H H 1 6.76 0.02 . 1 . . . A 245 LEU H . 17415 1 700 . 1 1 244 244 LEU CA C 13 52.5 0.1 . 1 . . . A 245 LEU CA . 17415 1 701 . 1 1 244 244 LEU CB C 13 39.3 0.1 . 1 . . . A 245 LEU CB . 17415 1 702 . 1 1 244 244 LEU N N 15 119.2 0.1 . 1 . . . A 245 LEU N . 17415 1 703 . 1 1 245 245 LEU H H 1 6.99 0.02 . 1 . . . A 246 LEU H . 17415 1 704 . 1 1 246 246 VAL H H 1 6.88 0.02 . 1 . . . A 247 VAL H . 17415 1 705 . 1 1 246 246 VAL CA C 13 64.9 0.1 . 1 . . . A 247 VAL CA . 17415 1 706 . 1 1 246 246 VAL CB C 13 28.9 0.1 . 1 . . . A 247 VAL CB . 17415 1 707 . 1 1 246 246 VAL N N 15 118.2 0.1 . 1 . . . A 247 VAL N . 17415 1 708 . 1 1 247 247 GLY H H 1 7.40 0.02 . 1 . . . A 248 GLY H . 17415 1 709 . 1 1 247 247 GLY CA C 13 43.8 0.1 . 1 . . . A 248 GLY CA . 17415 1 710 . 1 1 247 247 GLY N N 15 104.7 0.1 . 1 . . . A 248 GLY N . 17415 1 711 . 1 1 248 248 GLY H H 1 7.92 0.02 . 1 . . . A 249 GLY H . 17415 1 712 . 1 1 248 248 GLY CA C 13 45.0 0.1 . 1 . . . A 249 GLY CA . 17415 1 713 . 1 1 248 248 GLY N N 15 108.6 0.1 . 1 . . . A 249 GLY N . 17415 1 714 . 1 1 249 249 LEU H H 1 7.41 0.02 . 1 . . . A 250 LEU H . 17415 1 715 . 1 1 249 249 LEU CA C 13 55.4 0.1 . 1 . . . A 250 LEU CA . 17415 1 716 . 1 1 249 249 LEU CB C 13 40.4 0.1 . 1 . . . A 250 LEU CB . 17415 1 717 . 1 1 249 249 LEU N N 15 120.3 0.1 . 1 . . . A 250 LEU N . 17415 1 718 . 1 1 250 250 ASP H H 1 7.51 0.02 . 1 . . . A 251 ASP H . 17415 1 719 . 1 1 250 250 ASP CA C 13 53.4 0.1 . 1 . . . A 251 ASP CA . 17415 1 720 . 1 1 250 250 ASP CB C 13 43.4 0.1 . 1 . . . A 251 ASP CB . 17415 1 721 . 1 1 250 250 ASP N N 15 119.3 0.1 . 1 . . . A 251 ASP N . 17415 1 722 . 1 1 251 251 THR H H 1 7.40 0.02 . 1 . . . A 252 THR H . 17415 1 723 . 1 1 251 251 THR CA C 13 60.5 0.1 . 1 . . . A 252 THR CA . 17415 1 724 . 1 1 251 251 THR CB C 13 67.2 0.1 . 1 . . . A 252 THR CB . 17415 1 725 . 1 1 251 251 THR N N 15 105.6 0.1 . 1 . . . A 252 THR N . 17415 1 726 . 1 1 252 252 VAL H H 1 9.38 0.02 . 1 . . . A 253 VAL H . 17415 1 727 . 1 1 252 252 VAL CA C 13 65.8 0.1 . 1 . . . A 253 VAL CA . 17415 1 728 . 1 1 252 252 VAL CB C 13 31.3 0.1 . 1 . . . A 253 VAL CB . 17415 1 729 . 1 1 252 252 VAL N N 15 126.1 0.1 . 1 . . . A 253 VAL N . 17415 1 730 . 1 1 253 253 VAL H H 1 6.97 0.02 . 1 . . . A 254 VAL H . 17415 1 731 . 1 1 253 253 VAL CA C 13 62.3 0.1 . 1 . . . A 254 VAL CA . 17415 1 732 . 1 1 253 253 VAL CB C 13 32.5 0.1 . 1 . . . A 254 VAL CB . 17415 1 733 . 1 1 253 253 VAL N N 15 114.8 0.1 . 1 . . . A 254 VAL N . 17415 1 734 . 1 1 254 254 ASN H H 1 6.82 0.02 . 1 . . . A 255 ASN H . 17415 1 735 . 1 1 254 254 ASN CA C 13 54.4 0.1 . 1 . . . A 255 ASN CA . 17415 1 736 . 1 1 254 254 ASN CB C 13 39.4 0.1 . 1 . . . A 255 ASN CB . 17415 1 737 . 1 1 254 254 ASN N N 15 115.4 0.1 . 1 . . . A 255 ASN N . 17415 1 738 . 1 1 255 255 PHE H H 1 8.27 0.02 . 1 . . . A 256 PHE H . 17415 1 739 . 1 1 255 255 PHE CA C 13 56.6 0.1 . 1 . . . A 256 PHE CA . 17415 1 740 . 1 1 255 255 PHE CB C 13 40.4 0.1 . 1 . . . A 256 PHE CB . 17415 1 741 . 1 1 255 255 PHE N N 15 124.9 0.1 . 1 . . . A 256 PHE N . 17415 1 742 . 1 1 256 256 LEU H H 1 7.44 0.02 . 1 . . . A 257 LEU H . 17415 1 743 . 1 1 256 256 LEU CA C 13 57.0 0.1 . 1 . . . A 257 LEU CA . 17415 1 744 . 1 1 256 256 LEU CB C 13 40.1 0.1 . 1 . . . A 257 LEU CB . 17415 1 745 . 1 1 256 256 LEU N N 15 120.8 0.1 . 1 . . . A 257 LEU N . 17415 1 746 . 1 1 257 257 SER H H 1 7.43 0.02 . 1 . . . A 258 SER H . 17415 1 747 . 1 1 257 257 SER CA C 13 59.9 0.1 . 1 . . . A 258 SER CA . 17415 1 748 . 1 1 257 257 SER CB C 13 61.7 0.1 . 1 . . . A 258 SER CB . 17415 1 749 . 1 1 257 257 SER N N 15 112.5 0.1 . 1 . . . A 258 SER N . 17415 1 750 . 1 1 258 258 PHE H H 1 8.48 0.02 . 1 . . . A 259 PHE H . 17415 1 751 . 1 1 258 258 PHE CA C 13 56.6 0.1 . 1 . . . A 259 PHE CA . 17415 1 752 . 1 1 258 258 PHE CB C 13 41.0 0.1 . 1 . . . A 259 PHE CB . 17415 1 753 . 1 1 258 258 PHE N N 15 122.8 0.1 . 1 . . . A 259 PHE N . 17415 1 754 . 1 1 259 259 SER H H 1 6.93 0.02 . 1 . . . A 260 SER H . 17415 1 755 . 1 1 259 259 SER CA C 13 62.0 0.1 . 1 . . . A 260 SER CA . 17415 1 756 . 1 1 259 259 SER CB C 13 63.9 0.1 . 1 . . . A 260 SER CB . 17415 1 757 . 1 1 259 259 SER N N 15 115.1 0.1 . 1 . . . A 260 SER N . 17415 1 758 . 1 1 260 260 MET H H 1 7.95 0.02 . 1 . . . A 261 MET H . 17415 1 759 . 1 1 260 260 MET CA C 13 55.6 0.1 . 1 . . . A 261 MET CA . 17415 1 760 . 1 1 260 260 MET CB C 13 36.0 0.1 . 1 . . . A 261 MET CB . 17415 1 761 . 1 1 260 260 MET N N 15 124.9 0.1 . 1 . . . A 261 MET N . 17415 1 762 . 1 1 261 261 GLU H H 1 7.90 0.02 . 1 . . . A 262 GLU H . 17415 1 763 . 1 1 261 261 GLU CA C 13 56.6 0.1 . 1 . . . A 262 GLU CA . 17415 1 764 . 1 1 261 261 GLU CB C 13 28.2 0.1 . 1 . . . A 262 GLU CB . 17415 1 765 . 1 1 261 261 GLU N N 15 121.9 0.1 . 1 . . . A 262 GLU N . 17415 1 766 . 1 1 262 262 PHE H H 1 8.38 0.02 . 1 . . . A 263 PHE H . 17415 1 767 . 1 1 262 262 PHE CA C 13 65.0 0.1 . 1 . . . A 263 PHE CA . 17415 1 768 . 1 1 262 262 PHE N N 15 121.1 0.1 . 1 . . . A 263 PHE N . 17415 1 769 . 1 1 263 263 LEU H H 1 8.18 0.02 . 1 . . . A 264 LEU H . 17415 1 770 . 1 1 263 263 LEU CA C 13 58.0 0.1 . 1 . . . A 264 LEU CA . 17415 1 771 . 1 1 263 263 LEU N N 15 118.7 0.1 . 1 . . . A 264 LEU N . 17415 1 772 . 1 1 264 264 ALA CA C 13 52.6 0.1 . 1 . . . A 265 ALA CA . 17415 1 773 . 1 1 264 264 ALA CB C 13 15.7 0.1 . 1 . . . A 265 ALA CB . 17415 1 774 . 1 1 265 265 LYS H H 1 7.20 0.02 . 1 . . . A 266 LYS H . 17415 1 775 . 1 1 265 265 LYS CA C 13 55.7 0.1 . 1 . . . A 266 LYS CA . 17415 1 776 . 1 1 265 265 LYS CB C 13 32.5 0.1 . 1 . . . A 266 LYS CB . 17415 1 777 . 1 1 265 265 LYS N N 15 116.3 0.1 . 1 . . . A 266 LYS N . 17415 1 778 . 1 1 266 266 SER H H 1 7.07 0.02 . 1 . . . A 267 SER H . 17415 1 779 . 1 1 266 266 SER CA C 13 53.2 0.1 . 1 . . . A 267 SER CA . 17415 1 780 . 1 1 266 266 SER CB C 13 60.2 0.1 . 1 . . . A 267 SER CB . 17415 1 781 . 1 1 266 266 SER N N 15 114.5 0.1 . 1 . . . A 267 SER N . 17415 1 782 . 1 1 267 267 PRO CA C 13 62.5 0.1 . 1 . . . A 268 PRO CA . 17415 1 783 . 1 1 267 267 PRO CB C 13 30.3 0.1 . 1 . . . A 268 PRO CB . 17415 1 784 . 1 1 268 268 GLU H H 1 10.26 0.02 . 1 . . . A 269 GLU H . 17415 1 785 . 1 1 268 268 GLU CA C 13 61.8 0.1 . 1 . . . A 269 GLU CA . 17415 1 786 . 1 1 268 268 GLU CB C 13 24.0 0.1 . 1 . . . A 269 GLU CB . 17415 1 787 . 1 1 268 268 GLU N N 15 135.5 0.1 . 1 . . . A 269 GLU N . 17415 1 788 . 1 1 269 269 HIS H H 1 8.04 0.02 . 1 . . . A 270 HIS H . 17415 1 789 . 1 1 269 269 HIS CA C 13 55.4 0.1 . 1 . . . A 270 HIS CA . 17415 1 790 . 1 1 269 269 HIS CB C 13 33.6 0.1 . 1 . . . A 270 HIS CB . 17415 1 791 . 1 1 269 269 HIS N N 15 113.3 0.1 . 1 . . . A 270 HIS N . 17415 1 792 . 1 1 270 270 ARG H H 1 7.50 0.02 . 1 . . . A 271 ARG H . 17415 1 793 . 1 1 270 270 ARG CA C 13 56.2 0.1 . 1 . . . A 271 ARG CA . 17415 1 794 . 1 1 270 270 ARG CB C 13 28.6 0.1 . 1 . . . A 271 ARG CB . 17415 1 795 . 1 1 270 270 ARG N N 15 117.5 0.1 . 1 . . . A 271 ARG N . 17415 1 796 . 1 1 271 271 GLN H H 1 8.33 0.02 . 1 . . . A 272 GLN H . 17415 1 797 . 1 1 271 271 GLN CA C 13 57.2 0.1 . 1 . . . A 272 GLN CA . 17415 1 798 . 1 1 271 271 GLN CB C 13 26.1 0.1 . 1 . . . A 272 GLN CB . 17415 1 799 . 1 1 271 271 GLN N N 15 116.9 0.1 . 1 . . . A 272 GLN N . 17415 1 800 . 1 1 272 272 GLU H H 1 7.46 0.02 . 1 . . . A 273 GLU H . 17415 1 801 . 1 1 272 272 GLU CA C 13 58.4 0.1 . 1 . . . A 273 GLU CA . 17415 1 802 . 1 1 272 272 GLU CB C 13 28.2 0.1 . 1 . . . A 273 GLU CB . 17415 1 803 . 1 1 272 272 GLU N N 15 118.4 0.1 . 1 . . . A 273 GLU N . 17415 1 804 . 1 1 273 273 LEU H H 1 6.96 0.02 . 1 . . . A 274 LEU H . 17415 1 805 . 1 1 273 273 LEU CA C 13 54.6 0.1 . 1 . . . A 274 LEU CA . 17415 1 806 . 1 1 273 273 LEU CB C 13 40.8 0.1 . 1 . . . A 274 LEU CB . 17415 1 807 . 1 1 273 273 LEU N N 15 115.4 0.1 . 1 . . . A 274 LEU N . 17415 1 808 . 1 1 277 277 PRO CA C 13 63.4 0.1 . 1 . . . A 278 PRO CA . 17415 1 809 . 1 1 278 278 GLU H H 1 10.01 0.02 . 1 . . . A 279 GLU H . 17415 1 810 . 1 1 278 278 GLU CA C 13 57.0 0.1 . 1 . . . A 279 GLU CA . 17415 1 811 . 1 1 278 278 GLU CB C 13 25.5 0.1 . 1 . . . A 279 GLU CB . 17415 1 812 . 1 1 278 278 GLU N N 15 122.3 0.1 . 1 . . . A 279 GLU N . 17415 1 813 . 1 1 279 279 ARG H H 1 8.51 0.02 . 1 . . . A 280 ARG H . 17415 1 814 . 1 1 279 279 ARG CA C 13 55.1 0.1 . 1 . . . A 280 ARG CA . 17415 1 815 . 1 1 279 279 ARG CB C 13 28.9 0.1 . 1 . . . A 280 ARG CB . 17415 1 816 . 1 1 279 279 ARG N N 15 120.8 0.1 . 1 . . . A 280 ARG N . 17415 1 817 . 1 1 280 280 ILE H H 1 7.82 0.02 . 1 . . . A 281 ILE H . 17415 1 818 . 1 1 280 280 ILE CA C 13 66.9 0.1 . 1 . . . A 281 ILE CA . 17415 1 819 . 1 1 280 280 ILE CB C 13 34.0 0.1 . 1 . . . A 281 ILE CB . 17415 1 820 . 1 1 280 280 ILE N N 15 120.2 0.1 . 1 . . . A 281 ILE N . 17415 1 821 . 1 1 281 281 PRO CA C 13 65.9 0.1 . 1 . . . A 282 PRO CA . 17415 1 822 . 1 1 281 281 PRO CB C 13 29.0 0.1 . 1 . . . A 282 PRO CB . 17415 1 823 . 1 1 282 282 ALA H H 1 7.79 0.02 . 1 . . . A 283 ALA H . 17415 1 824 . 1 1 282 282 ALA CA C 13 54.4 0.1 . 1 . . . A 283 ALA CA . 17415 1 825 . 1 1 282 282 ALA CB C 13 17.0 0.1 . 1 . . . A 283 ALA CB . 17415 1 826 . 1 1 282 282 ALA N N 15 122.6 0.1 . 1 . . . A 283 ALA N . 17415 1 827 . 1 1 283 283 ALA H H 1 8.11 0.02 . 1 . . . A 284 ALA H . 17415 1 828 . 1 1 283 283 ALA CA C 13 51.6 0.1 . 1 . . . A 284 ALA CA . 17415 1 829 . 1 1 283 283 ALA CB C 13 17.5 0.1 . 1 . . . A 284 ALA CB . 17415 1 830 . 1 1 283 283 ALA N N 15 124.9 0.1 . 1 . . . A 284 ALA N . 17415 1 831 . 1 1 293 293 LEU H H 1 7.50 0.02 . 1 . . . A 294 LEU H . 17415 1 832 . 1 1 293 293 LEU CA C 13 56.0 0.1 . 1 . . . A 294 LEU CA . 17415 1 833 . 1 1 293 293 LEU N N 15 117.2 0.1 . 1 . . . A 294 LEU N . 17415 1 834 . 1 1 294 294 VAL H H 1 7.30 0.02 . 1 . . . A 295 VAL H . 17415 1 835 . 1 1 294 294 VAL CA C 13 60.3 0.1 . 1 . . . A 295 VAL CA . 17415 1 836 . 1 1 294 294 VAL CB C 13 31.5 0.1 . 1 . . . A 295 VAL CB . 17415 1 837 . 1 1 294 294 VAL N N 15 117.2 0.1 . 1 . . . A 295 VAL N . 17415 1 838 . 1 1 295 295 ALA H H 1 8.90 0.02 . 1 . . . A 296 ALA H . 17415 1 839 . 1 1 295 295 ALA CA C 13 51.4 0.1 . 1 . . . A 296 ALA CA . 17415 1 840 . 1 1 295 295 ALA CB C 13 21.1 0.1 . 1 . . . A 296 ALA CB . 17415 1 841 . 1 1 295 295 ALA N N 15 126.7 0.1 . 1 . . . A 296 ALA N . 17415 1 842 . 1 1 296 296 ASP H H 1 8.26 0.02 . 1 . . . A 297 ASP H . 17415 1 843 . 1 1 296 296 ASP CA C 13 49.8 0.1 . 1 . . . A 297 ASP CA . 17415 1 844 . 1 1 296 296 ASP CB C 13 36.8 0.1 . 1 . . . A 297 ASP CB . 17415 1 845 . 1 1 296 296 ASP N N 15 120.5 0.1 . 1 . . . A 297 ASP N . 17415 1 846 . 1 1 297 297 GLY H H 1 7.97 0.02 . 1 . . . A 298 GLY H . 17415 1 847 . 1 1 297 297 GLY CA C 13 44.4 0.1 . 1 . . . A 298 GLY CA . 17415 1 848 . 1 1 297 297 GLY N N 15 103.2 0.1 . 1 . . . A 298 GLY N . 17415 1 849 . 1 1 298 298 ARG H H 1 7.93 0.02 . 1 . . . A 299 ARG H . 17415 1 850 . 1 1 298 298 ARG CA C 13 51.5 0.1 . 1 . . . A 299 ARG CA . 17415 1 851 . 1 1 298 298 ARG N N 15 119.0 0.1 . 1 . . . A 299 ARG N . 17415 1 852 . 1 1 299 299 ILE H H 1 9.47 0.02 . 1 . . . A 300 ILE H . 17415 1 853 . 1 1 299 299 ILE CA C 13 57.9 0.1 . 1 . . . A 300 ILE CA . 17415 1 854 . 1 1 299 299 ILE N N 15 121.7 0.1 . 1 . . . A 300 ILE N . 17415 1 855 . 1 1 300 300 LEU H H 1 8.81 0.02 . 1 . . . A 301 LEU H . 17415 1 856 . 1 1 300 300 LEU CA C 13 59.9 0.1 . 1 . . . A 301 LEU CA . 17415 1 857 . 1 1 300 300 LEU CB C 13 38.7 0.1 . 1 . . . A 301 LEU CB . 17415 1 858 . 1 1 300 300 LEU N N 15 131.8 0.1 . 1 . . . A 301 LEU N . 17415 1 859 . 1 1 301 301 THR H H 1 8.62 0.02 . 1 . . . A 302 THR H . 17415 1 860 . 1 1 301 301 THR CA C 13 61.2 0.1 . 1 . . . A 302 THR CA . 17415 1 861 . 1 1 301 301 THR CB C 13 68.3 0.1 . 1 . . . A 302 THR CB . 17415 1 862 . 1 1 301 301 THR N N 15 116.3 0.1 . 1 . . . A 302 THR N . 17415 1 863 . 1 1 302 302 SER H H 1 7.58 0.02 . 1 . . . A 303 SER H . 17415 1 864 . 1 1 302 302 SER CA C 13 55.0 0.1 . 1 . . . A 303 SER CA . 17415 1 865 . 1 1 302 302 SER CB C 13 64.4 0.1 . 1 . . . A 303 SER CB . 17415 1 866 . 1 1 302 302 SER N N 15 112.7 0.1 . 1 . . . A 303 SER N . 17415 1 867 . 1 1 303 303 ASP H H 1 8.50 0.02 . 1 . . . A 304 ASP H . 17415 1 868 . 1 1 303 303 ASP CA C 13 53.6 0.1 . 1 . . . A 304 ASP CA . 17415 1 869 . 1 1 303 303 ASP CB C 13 38.1 0.1 . 1 . . . A 304 ASP CB . 17415 1 870 . 1 1 303 303 ASP N N 15 121.4 0.1 . 1 . . . A 304 ASP N . 17415 1 871 . 1 1 304 304 TYR H H 1 8.40 0.02 . 1 . . . A 305 TYR H . 17415 1 872 . 1 1 304 304 TYR CA C 13 55.1 0.1 . 1 . . . A 305 TYR CA . 17415 1 873 . 1 1 304 304 TYR CB C 13 41.0 0.1 . 1 . . . A 305 TYR CB . 17415 1 874 . 1 1 304 304 TYR N N 15 126.1 0.1 . 1 . . . A 305 TYR N . 17415 1 875 . 1 1 305 305 GLU H H 1 7.74 0.02 . 1 . . . A 306 GLU H . 17415 1 876 . 1 1 305 305 GLU CA C 13 53.4 0.1 . 1 . . . A 306 GLU CA . 17415 1 877 . 1 1 305 305 GLU CB C 13 28.0 0.1 . 1 . . . A 306 GLU CB . 17415 1 878 . 1 1 305 305 GLU N N 15 130.0 0.1 . 1 . . . A 306 GLU N . 17415 1 879 . 1 1 306 306 PHE H H 1 8.47 0.02 . 1 . . . A 307 PHE H . 17415 1 880 . 1 1 306 306 PHE CA C 13 53.2 0.1 . 1 . . . A 307 PHE CA . 17415 1 881 . 1 1 306 306 PHE CB C 13 40.8 0.1 . 1 . . . A 307 PHE CB . 17415 1 882 . 1 1 306 306 PHE N N 15 129.7 0.1 . 1 . . . A 307 PHE N . 17415 1 883 . 1 1 307 307 HIS H H 1 9.00 0.02 . 1 . . . A 308 HIS H . 17415 1 884 . 1 1 307 307 HIS CA C 13 55.8 0.1 . 1 . . . A 308 HIS CA . 17415 1 885 . 1 1 307 307 HIS CB C 13 24.4 0.1 . 1 . . . A 308 HIS CB . 17415 1 886 . 1 1 307 307 HIS N N 15 123.4 0.1 . 1 . . . A 308 HIS N . 17415 1 887 . 1 1 308 308 GLY H H 1 8.39 0.02 . 1 . . . A 309 GLY H . 17415 1 888 . 1 1 308 308 GLY CA C 13 43.8 0.1 . 1 . . . A 309 GLY CA . 17415 1 889 . 1 1 308 308 GLY N N 15 102.6 0.1 . 1 . . . A 309 GLY N . 17415 1 890 . 1 1 309 309 VAL H H 1 7.44 0.02 . 1 . . . A 310 VAL H . 17415 1 891 . 1 1 309 309 VAL CA C 13 60.0 0.1 . 1 . . . A 310 VAL CA . 17415 1 892 . 1 1 309 309 VAL CB C 13 31.5 0.1 . 1 . . . A 310 VAL CB . 17415 1 893 . 1 1 309 309 VAL N N 15 123.7 0.1 . 1 . . . A 310 VAL N . 17415 1 894 . 1 1 310 310 GLN H H 1 8.40 0.02 . 1 . . . A 311 GLN H . 17415 1 895 . 1 1 310 310 GLN CA C 13 54.8 0.1 . 1 . . . A 311 GLN CA . 17415 1 896 . 1 1 310 310 GLN CB C 13 26.5 0.1 . 1 . . . A 311 GLN CB . 17415 1 897 . 1 1 310 310 GLN N N 15 126.1 0.1 . 1 . . . A 311 GLN N . 17415 1 898 . 1 1 311 311 LEU H H 1 8.61 0.02 . 1 . . . A 312 LEU H . 17415 1 899 . 1 1 311 311 LEU CA C 13 52.4 0.1 . 1 . . . A 312 LEU CA . 17415 1 900 . 1 1 311 311 LEU CB C 13 39.5 0.1 . 1 . . . A 312 LEU CB . 17415 1 901 . 1 1 311 311 LEU N N 15 128.5 0.1 . 1 . . . A 312 LEU N . 17415 1 902 . 1 1 312 312 LYS CA C 13 52.2 0.1 . 1 . . . A 313 LYS CA . 17415 1 903 . 1 1 312 312 LYS CB C 13 32.7 0.1 . 1 . . . A 313 LYS CB . 17415 1 904 . 1 1 313 313 LYS H H 1 8.73 0.02 . 1 . . . A 314 LYS H . 17415 1 905 . 1 1 313 313 LYS CA C 13 57.5 0.1 . 1 . . . A 314 LYS CA . 17415 1 906 . 1 1 313 313 LYS CB C 13 31.2 0.1 . 1 . . . A 314 LYS CB . 17415 1 907 . 1 1 313 313 LYS N N 15 122.0 0.1 . 1 . . . A 314 LYS N . 17415 1 908 . 1 1 314 314 GLY H H 1 8.57 0.02 . 1 . . . A 315 GLY H . 17415 1 909 . 1 1 314 314 GLY CA C 13 43.8 0.1 . 1 . . . A 315 GLY CA . 17415 1 910 . 1 1 314 314 GLY N N 15 117.2 0.1 . 1 . . . A 315 GLY N . 17415 1 911 . 1 1 319 319 LEU H H 1 7.50 0.02 . 1 . . . A 320 LEU H . 17415 1 912 . 1 1 319 319 LEU N N 15 114.1 0.1 . 1 . . . A 320 LEU N . 17415 1 913 . 1 1 320 320 PRO CA C 13 64.2 0.1 . 1 . . . A 321 PRO CA . 17415 1 914 . 1 1 320 320 PRO CB C 13 30.0 0.1 . 1 . . . A 321 PRO CB . 17415 1 915 . 1 1 321 321 GLN H H 1 8.98 0.02 . 1 . . . A 322 GLN H . 17415 1 916 . 1 1 321 321 GLN CA C 13 58.5 0.1 . 1 . . . A 322 GLN CA . 17415 1 917 . 1 1 321 321 GLN CB C 13 27.0 0.1 . 1 . . . A 322 GLN CB . 17415 1 918 . 1 1 321 321 GLN N N 15 117.2 0.1 . 1 . . . A 322 GLN N . 17415 1 919 . 1 1 322 322 MET H H 1 7.47 0.02 . 1 . . . A 323 MET H . 17415 1 920 . 1 1 322 322 MET CA C 13 60.6 0.1 . 1 . . . A 323 MET CA . 17415 1 921 . 1 1 322 322 MET CB C 13 29.0 0.1 . 1 . . . A 323 MET CB . 17415 1 922 . 1 1 322 322 MET N N 15 118.9 0.1 . 1 . . . A 323 MET N . 17415 1 923 . 1 1 323 323 LEU H H 1 7.48 0.02 . 1 . . . A 324 LEU H . 17415 1 924 . 1 1 323 323 LEU CA C 13 55.1 0.1 . 1 . . . A 324 LEU CA . 17415 1 925 . 1 1 323 323 LEU N N 15 114.5 0.1 . 1 . . . A 324 LEU N . 17415 1 926 . 1 1 324 324 SER H H 1 5.75 0.02 . 1 . . . A 325 SER H . 17415 1 927 . 1 1 324 324 SER N N 15 121.3 0.1 . 1 . . . A 325 SER N . 17415 1 928 . 1 1 325 325 GLY H H 1 8.56 0.02 . 1 . . . A 326 GLY H . 17415 1 929 . 1 1 325 325 GLY N N 15 105.8 0.1 . 1 . . . A 326 GLY N . 17415 1 930 . 1 1 326 326 LEU H H 1 6.77 0.02 . 1 . . . A 327 LEU H . 17415 1 931 . 1 1 326 326 LEU CB C 13 39.4 0.1 . 1 . . . A 327 LEU CB . 17415 1 932 . 1 1 326 326 LEU N N 15 119.3 0.1 . 1 . . . A 327 LEU N . 17415 1 933 . 1 1 327 327 ASP CA C 13 52.6 0.1 . 1 . . . A 328 ASP CA . 17415 1 934 . 1 1 327 327 ASP CB C 13 41.9 0.1 . 1 . . . A 328 ASP CB . 17415 1 935 . 1 1 328 328 GLU H H 1 9.45 0.02 . 1 . . . A 329 GLU H . 17415 1 936 . 1 1 328 328 GLU CA C 13 56.0 0.1 . 1 . . . A 329 GLU CA . 17415 1 937 . 1 1 328 328 GLU CB C 13 26.9 0.1 . 1 . . . A 329 GLU CB . 17415 1 938 . 1 1 328 328 GLU N N 15 131.8 0.1 . 1 . . . A 329 GLU N . 17415 1 939 . 1 1 329 329 ARG H H 1 8.70 0.02 . 1 . . . A 330 ARG H . 17415 1 940 . 1 1 329 329 ARG CA C 13 56.5 0.1 . 1 . . . A 330 ARG CA . 17415 1 941 . 1 1 329 329 ARG CB C 13 27.7 0.1 . 1 . . . A 330 ARG CB . 17415 1 942 . 1 1 329 329 ARG N N 15 119.0 0.1 . 1 . . . A 330 ARG N . 17415 1 943 . 1 1 330 330 GLU H H 1 7.77 0.02 . 1 . . . A 331 GLU H . 17415 1 944 . 1 1 330 330 GLU CA C 13 56.6 0.1 . 1 . . . A 331 GLU CA . 17415 1 945 . 1 1 330 330 GLU CB C 13 28.4 0.1 . 1 . . . A 331 GLU CB . 17415 1 946 . 1 1 330 330 GLU N N 15 116.6 0.1 . 1 . . . A 331 GLU N . 17415 1 947 . 1 1 331 331 ASN H H 1 7.80 0.02 . 1 . . . A 332 ASN H . 17415 1 948 . 1 1 331 331 ASN CA C 13 51.0 0.1 . 1 . . . A 332 ASN CA . 17415 1 949 . 1 1 331 331 ASN CB C 13 42.0 0.1 . 1 . . . A 332 ASN CB . 17415 1 950 . 1 1 331 331 ASN N N 15 116.6 0.1 . 1 . . . A 332 ASN N . 17415 1 951 . 1 1 332 332 ALA H H 1 8.52 0.02 . 1 . . . A 333 ALA H . 17415 1 952 . 1 1 332 332 ALA CA C 13 50.9 0.1 . 1 . . . A 333 ALA CA . 17415 1 953 . 1 1 332 332 ALA CB C 13 16.9 0.1 . 1 . . . A 333 ALA CB . 17415 1 954 . 1 1 332 332 ALA N N 15 124.0 0.1 . 1 . . . A 333 ALA N . 17415 1 955 . 1 1 334 334 PRO CA C 13 62.9 0.1 . 1 . . . A 335 PRO CA . 17415 1 956 . 1 1 334 334 PRO CB C 13 31.3 0.1 . 1 . . . A 335 PRO CB . 17415 1 957 . 1 1 335 335 MET H H 1 8.74 0.02 . 1 . . . A 336 MET H . 17415 1 958 . 1 1 335 335 MET CA C 13 52.8 0.1 . 1 . . . A 336 MET CA . 17415 1 959 . 1 1 335 335 MET N N 15 115.7 0.1 . 1 . . . A 336 MET N . 17415 1 960 . 1 1 336 336 HIS H H 1 8.07 0.02 . 1 . . . A 337 HIS H . 17415 1 961 . 1 1 336 336 HIS CA C 13 54.0 0.1 . 1 . . . A 337 HIS CA . 17415 1 962 . 1 1 336 336 HIS CB C 13 28.6 0.1 . 1 . . . A 337 HIS CB . 17415 1 963 . 1 1 336 336 HIS N N 15 123.7 0.1 . 1 . . . A 337 HIS N . 17415 1 964 . 1 1 337 337 VAL H H 1 8.07 0.02 . 1 . . . A 338 VAL H . 17415 1 965 . 1 1 337 337 VAL CA C 13 60.6 0.1 . 1 . . . A 338 VAL CA . 17415 1 966 . 1 1 337 337 VAL CB C 13 28.8 0.1 . 1 . . . A 338 VAL CB . 17415 1 967 . 1 1 337 337 VAL N N 15 126.4 0.1 . 1 . . . A 338 VAL N . 17415 1 968 . 1 1 338 338 ASP H H 1 10.17 0.02 . 1 . . . A 339 ASP H . 17415 1 969 . 1 1 338 338 ASP CA C 13 50.4 0.1 . 1 . . . A 339 ASP CA . 17415 1 970 . 1 1 338 338 ASP CB C 13 41.0 0.1 . 1 . . . A 339 ASP CB . 17415 1 971 . 1 1 338 338 ASP N N 15 131.5 0.1 . 1 . . . A 339 ASP N . 17415 1 972 . 1 1 339 339 PHE H H 1 9.53 0.02 . 1 . . . A 340 PHE H . 17415 1 973 . 1 1 339 339 PHE CA C 13 54.7 0.1 . 1 . . . A 340 PHE CA . 17415 1 974 . 1 1 339 339 PHE CB C 13 34.5 0.1 . 1 . . . A 340 PHE CB . 17415 1 975 . 1 1 339 339 PHE N N 15 124.3 0.1 . 1 . . . A 340 PHE N . 17415 1 976 . 1 1 340 340 SER H H 1 8.66 0.02 . 1 . . . A 341 SER H . 17415 1 977 . 1 1 340 340 SER CA C 13 56.6 0.1 . 1 . . . A 341 SER CA . 17415 1 978 . 1 1 340 340 SER CB C 13 61.8 0.1 . 1 . . . A 341 SER CB . 17415 1 979 . 1 1 340 340 SER N N 15 116.0 0.1 . 1 . . . A 341 SER N . 17415 1 980 . 1 1 341 341 ARG H H 1 7.18 0.02 . 1 . . . A 342 ARG H . 17415 1 981 . 1 1 341 341 ARG CA C 13 56.5 0.1 . 1 . . . A 342 ARG CA . 17415 1 982 . 1 1 341 341 ARG CB C 13 29.4 0.1 . 1 . . . A 342 ARG CB . 17415 1 983 . 1 1 341 341 ARG N N 15 124.3 0.1 . 1 . . . A 342 ARG N . 17415 1 984 . 1 1 343 343 LYS CA C 13 54.0 0.1 . 1 . . . A 344 LYS CA . 17415 1 985 . 1 1 343 343 LYS CB C 13 33.7 0.1 . 1 . . . A 344 LYS CB . 17415 1 986 . 1 1 344 344 VAL H H 1 8.60 0.02 . 1 . . . A 345 VAL H . 17415 1 987 . 1 1 344 344 VAL CA C 13 61.4 0.1 . 1 . . . A 345 VAL CA . 17415 1 988 . 1 1 344 344 VAL CB C 13 30.3 0.1 . 1 . . . A 345 VAL CB . 17415 1 989 . 1 1 344 344 VAL N N 15 127.0 0.1 . 1 . . . A 345 VAL N . 17415 1 990 . 1 1 345 345 SER H H 1 8.03 0.02 . 1 . . . A 346 SER H . 17415 1 991 . 1 1 345 345 SER CA C 13 55.1 0.1 . 1 . . . A 346 SER CA . 17415 1 992 . 1 1 345 345 SER CB C 13 62.5 0.1 . 1 . . . A 346 SER CB . 17415 1 993 . 1 1 345 345 SER N N 15 123.1 0.1 . 1 . . . A 346 SER N . 17415 1 994 . 1 1 346 346 HIS H H 1 8.17 0.02 . 1 . . . A 347 HIS H . 17415 1 995 . 1 1 346 346 HIS CA C 13 54.9 0.1 . 1 . . . A 347 HIS CA . 17415 1 996 . 1 1 346 346 HIS CB C 13 30.9 0.1 . 1 . . . A 347 HIS CB . 17415 1 997 . 1 1 346 346 HIS N N 15 121.7 0.1 . 1 . . . A 347 HIS N . 17415 1 998 . 1 1 347 347 THR H H 1 9.44 0.02 . 1 . . . A 348 THR H . 17415 1 999 . 1 1 347 347 THR CA C 13 58.7 0.1 . 1 . . . A 348 THR CA . 17415 1 1000 . 1 1 347 347 THR CB C 13 67.8 0.1 . 1 . . . A 348 THR CB . 17415 1 1001 . 1 1 347 347 THR N N 15 113.3 0.1 . 1 . . . A 348 THR N . 17415 1 1002 . 1 1 348 348 THR H H 1 11.82 0.02 . 1 . . . A 349 THR H . 17415 1 1003 . 1 1 348 348 THR CA C 13 66.1 0.1 . 1 . . . A 349 THR CA . 17415 1 1004 . 1 1 348 348 THR CB C 13 67.2 0.1 . 1 . . . A 349 THR CB . 17415 1 1005 . 1 1 348 348 THR N N 15 128.8 0.1 . 1 . . . A 349 THR N . 17415 1 1006 . 1 1 349 349 PHE H H 1 8.11 0.02 . 1 . . . A 350 PHE H . 17415 1 1007 . 1 1 349 349 PHE CA C 13 55.8 0.1 . 1 . . . A 350 PHE CA . 17415 1 1008 . 1 1 349 349 PHE CB C 13 36.6 0.1 . 1 . . . A 350 PHE CB . 17415 1 1009 . 1 1 349 349 PHE N N 15 115.7 0.1 . 1 . . . A 350 PHE N . 17415 1 1010 . 1 1 350 350 GLY H H 1 7.78 0.02 . 1 . . . A 351 GLY H . 17415 1 1011 . 1 1 350 350 GLY CA C 13 43.1 0.1 . 1 . . . A 351 GLY CA . 17415 1 1012 . 1 1 350 350 GLY N N 15 104.4 0.1 . 1 . . . A 351 GLY N . 17415 1 1013 . 1 1 351 351 HIS H H 1 8.24 0.02 . 1 . . . A 352 HIS H . 17415 1 1014 . 1 1 351 351 HIS CA C 13 55.8 0.1 . 1 . . . A 352 HIS CA . 17415 1 1015 . 1 1 351 351 HIS CB C 13 31.5 0.1 . 1 . . . A 352 HIS CB . 17415 1 1016 . 1 1 351 351 HIS N N 15 117.8 0.1 . 1 . . . A 352 HIS N . 17415 1 1017 . 1 1 352 352 GLY H H 1 8.04 0.02 . 1 . . . A 353 GLY H . 17415 1 1018 . 1 1 352 352 GLY CA C 13 42.8 0.1 . 1 . . . A 353 GLY CA . 17415 1 1019 . 1 1 352 352 GLY N N 15 115.1 0.1 . 1 . . . A 353 GLY N . 17415 1 1020 . 1 1 353 353 SER H H 1 9.41 0.02 . 1 . . . A 354 SER H . 17415 1 1021 . 1 1 353 353 SER CA C 13 60.5 0.1 . 1 . . . A 354 SER CA . 17415 1 1022 . 1 1 353 353 SER CB C 13 61.9 0.1 . 1 . . . A 354 SER CB . 17415 1 1023 . 1 1 353 353 SER N N 15 120.2 0.1 . 1 . . . A 354 SER N . 17415 1 1024 . 1 1 354 354 HIS H H 1 7.74 0.02 . 1 . . . A 355 HIS H . 17415 1 1025 . 1 1 354 354 HIS CA C 13 56.6 0.1 . 1 . . . A 355 HIS CA . 17415 1 1026 . 1 1 354 354 HIS CB C 13 26.2 0.1 . 1 . . . A 355 HIS CB . 17415 1 1027 . 1 1 354 354 HIS N N 15 125.2 0.1 . 1 . . . A 355 HIS N . 17415 1 1028 . 1 1 355 355 LEU H H 1 5.63 0.02 . 1 . . . A 356 LEU H . 17415 1 1029 . 1 1 355 355 LEU CA C 13 56.6 0.1 . 1 . . . A 356 LEU CA . 17415 1 1030 . 1 1 355 355 LEU CB C 13 41.2 0.1 . 1 . . . A 356 LEU CB . 17415 1 1031 . 1 1 355 355 LEU N N 15 121.1 0.1 . 1 . . . A 356 LEU N . 17415 1 1032 . 1 1 356 356 CYS H H 1 4.04 0.02 . 1 . . . A 357 CYS H . 17415 1 1033 . 1 1 356 356 CYS CA C 13 59.4 0.1 . 1 . . . A 357 CYS CA . 17415 1 1034 . 1 1 356 356 CYS CB C 13 59.1 0.1 . 1 . . . A 357 CYS CB . 17415 1 1035 . 1 1 356 356 CYS N N 15 117.8 0.1 . 1 . . . A 357 CYS N . 17415 1 1036 . 1 1 357 357 LEU H H 1 2.74 0.02 . 1 . . . A 358 LEU H . 17415 1 1037 . 1 1 357 357 LEU CA C 13 52.6 0.1 . 1 . . . A 358 LEU CA . 17415 1 1038 . 1 1 357 357 LEU CB C 13 43.4 0.1 . 1 . . . A 358 LEU CB . 17415 1 1039 . 1 1 357 357 LEU N N 15 125.8 0.1 . 1 . . . A 358 LEU N . 17415 1 1040 . 1 1 358 358 GLY H H 1 6.55 0.02 . 1 . . . A 359 GLY H . 17415 1 1041 . 1 1 358 358 GLY CA C 13 41.1 0.1 . 1 . . . A 359 GLY CA . 17415 1 1042 . 1 1 358 358 GLY N N 15 118.7 0.1 . 1 . . . A 359 GLY N . 17415 1 1043 . 1 1 359 359 GLN H H 1 6.98 0.02 . 1 . . . A 360 GLN H . 17415 1 1044 . 1 1 359 359 GLN CA C 13 48.8 0.1 . 1 . . . A 360 GLN CA . 17415 1 1045 . 1 1 359 359 GLN N N 15 123.2 0.1 . 1 . . . A 360 GLN N . 17415 1 1046 . 1 1 362 362 ALA CA C 13 53.7 0.1 . 1 . . . A 363 ALA CA . 17415 1 1047 . 1 1 362 362 ALA CB C 13 17.4 0.1 . 1 . . . A 363 ALA CB . 17415 1 1048 . 1 1 363 363 ARG H H 1 7.51 0.02 . 1 . . . A 364 ARG H . 17415 1 1049 . 1 1 363 363 ARG CA C 13 59.6 0.1 . 1 . . . A 364 ARG CA . 17415 1 1050 . 1 1 363 363 ARG CB C 13 27.8 0.1 . 1 . . . A 364 ARG CB . 17415 1 1051 . 1 1 363 363 ARG N N 15 121.7 0.1 . 1 . . . A 364 ARG N . 17415 1 1052 . 1 1 364 364 ARG H H 1 8.49 0.02 . 1 . . . A 365 ARG H . 17415 1 1053 . 1 1 364 364 ARG CA C 13 57.1 0.1 . 1 . . . A 365 ARG CA . 17415 1 1054 . 1 1 364 364 ARG CB C 13 26.1 0.1 . 1 . . . A 365 ARG CB . 17415 1 1055 . 1 1 364 364 ARG N N 15 117.2 0.1 . 1 . . . A 365 ARG N . 17415 1 1056 . 1 1 365 365 GLU H H 1 7.35 0.02 . 1 . . . A 366 GLU H . 17415 1 1057 . 1 1 365 365 GLU CA C 13 59.5 0.1 . 1 . . . A 366 GLU CA . 17415 1 1058 . 1 1 365 365 GLU CB C 13 27.9 0.1 . 1 . . . A 366 GLU CB . 17415 1 1059 . 1 1 365 365 GLU N N 15 117.8 0.1 . 1 . . . A 366 GLU N . 17415 1 1060 . 1 1 366 366 ILE CA C 13 61.2 0.1 . 1 . . . A 367 ILE CA . 17415 1 1061 . 1 1 367 367 ILE H H 1 7.95 0.02 . 1 . . . A 368 ILE H . 17415 1 1062 . 1 1 367 367 ILE CA C 13 62.6 0.1 . 1 . . . A 368 ILE CA . 17415 1 1063 . 1 1 367 367 ILE CB C 13 37.5 0.1 . 1 . . . A 368 ILE CB . 17415 1 1064 . 1 1 367 367 ILE N N 15 121.1 0.1 . 1 . . . A 368 ILE N . 17415 1 1065 . 1 1 368 368 VAL H H 1 9.03 0.02 . 1 . . . A 369 VAL H . 17415 1 1066 . 1 1 368 368 VAL CA C 13 61.9 0.1 . 1 . . . A 369 VAL CA . 17415 1 1067 . 1 1 368 368 VAL CB C 13 28.6 0.1 . 1 . . . A 369 VAL CB . 17415 1 1068 . 1 1 368 368 VAL N N 15 117.2 0.1 . 1 . . . A 369 VAL N . 17415 1 1069 . 1 1 373 373 TRP CA C 13 60.1 0.1 . 1 . . . A 374 TRP CA . 17415 1 1070 . 1 1 374 374 LEU H H 1 7.81 0.02 . 1 . . . A 375 LEU H . 17415 1 1071 . 1 1 374 374 LEU CA C 13 57.4 0.1 . 1 . . . A 375 LEU CA . 17415 1 1072 . 1 1 374 374 LEU CB C 13 43.4 0.1 . 1 . . . A 375 LEU CB . 17415 1 1073 . 1 1 374 374 LEU N N 15 116.6 0.1 . 1 . . . A 375 LEU N . 17415 1 1074 . 1 1 375 375 THR H H 1 7.23 0.02 . 1 . . . A 376 THR H . 17415 1 1075 . 1 1 375 375 THR CA C 13 61.5 0.1 . 1 . . . A 376 THR CA . 17415 1 1076 . 1 1 375 375 THR CB C 13 68.5 0.1 . 1 . . . A 376 THR CB . 17415 1 1077 . 1 1 375 375 THR N N 15 106.5 0.1 . 1 . . . A 376 THR N . 17415 1 1078 . 1 1 376 376 ARG H H 1 8.15 0.02 . 1 . . . A 377 ARG H . 17415 1 1079 . 1 1 376 376 ARG CA C 13 53.1 0.1 . 1 . . . A 377 ARG CA . 17415 1 1080 . 1 1 376 376 ARG CB C 13 29.9 0.1 . 1 . . . A 377 ARG CB . 17415 1 1081 . 1 1 376 376 ARG N N 15 122.8 0.1 . 1 . . . A 377 ARG N . 17415 1 1082 . 1 1 377 377 ILE H H 1 7.65 0.02 . 1 . . . A 378 ILE H . 17415 1 1083 . 1 1 377 377 ILE CA C 13 62.0 0.1 . 1 . . . A 378 ILE CA . 17415 1 1084 . 1 1 377 377 ILE N N 15 125.2 0.1 . 1 . . . A 378 ILE N . 17415 1 1085 . 1 1 378 378 PRO CA C 13 62.4 0.1 . 1 . . . A 379 PRO CA . 17415 1 1086 . 1 1 379 379 ASP H H 1 8.44 0.02 . 1 . . . A 380 ASP H . 17415 1 1087 . 1 1 379 379 ASP CA C 13 51.7 0.1 . 1 . . . A 380 ASP CA . 17415 1 1088 . 1 1 379 379 ASP CB C 13 39.4 0.1 . 1 . . . A 380 ASP CB . 17415 1 1089 . 1 1 379 379 ASP N N 15 121.1 0.1 . 1 . . . A 380 ASP N . 17415 1 1090 . 1 1 380 380 PHE CB C 13 30.8 0.1 . 1 . . . A 381 PHE CB . 17415 1 1091 . 1 1 381 381 SER CA C 13 55.6 0.1 . 1 . . . A 382 SER CA . 17415 1 1092 . 1 1 381 381 SER CB C 13 66.0 0.1 . 1 . . . A 382 SER CB . 17415 1 1093 . 1 1 382 382 ILE H H 1 8.51 0.02 . 1 . . . A 383 ILE H . 17415 1 1094 . 1 1 382 382 ILE CA C 13 59.4 0.1 . 1 . . . A 383 ILE CA . 17415 1 1095 . 1 1 382 382 ILE CB C 13 35.4 0.1 . 1 . . . A 383 ILE CB . 17415 1 1096 . 1 1 382 382 ILE N N 15 122.3 0.1 . 1 . . . A 383 ILE N . 17415 1 1097 . 1 1 383 383 ALA H H 1 8.17 0.02 . 1 . . . A 384 ALA H . 17415 1 1098 . 1 1 383 383 ALA CA C 13 49.8 0.1 . 1 . . . A 384 ALA CA . 17415 1 1099 . 1 1 383 383 ALA CB C 13 16.2 0.1 . 1 . . . A 384 ALA CB . 17415 1 1100 . 1 1 383 383 ALA N N 15 131.5 0.1 . 1 . . . A 384 ALA N . 17415 1 1101 . 1 1 384 384 PRO CA C 13 62.6 0.1 . 1 . . . A 385 PRO CA . 17415 1 1102 . 1 1 384 384 PRO CB C 13 29.6 0.1 . 1 . . . A 385 PRO CB . 17415 1 1103 . 1 1 385 385 GLY H H 1 8.66 0.02 . 1 . . . A 386 GLY H . 17415 1 1104 . 1 1 385 385 GLY CA C 13 44.0 0.1 . 1 . . . A 386 GLY CA . 17415 1 1105 . 1 1 385 385 GLY N N 15 113.3 0.1 . 1 . . . A 386 GLY N . 17415 1 1106 . 1 1 386 386 ALA H H 1 7.59 0.02 . 1 . . . A 387 ALA H . 17415 1 1107 . 1 1 386 386 ALA CA C 13 51.2 0.1 . 1 . . . A 387 ALA CA . 17415 1 1108 . 1 1 386 386 ALA CB C 13 18.3 0.1 . 1 . . . A 387 ALA CB . 17415 1 1109 . 1 1 386 386 ALA N N 15 123.1 0.1 . 1 . . . A 387 ALA N . 17415 1 1110 . 1 1 387 387 GLN H H 1 8.43 0.02 . 1 . . . A 388 GLN H . 17415 1 1111 . 1 1 387 387 GLN CA C 13 53.0 0.1 . 1 . . . A 388 GLN CA . 17415 1 1112 . 1 1 387 387 GLN CB C 13 28.2 0.1 . 1 . . . A 388 GLN CB . 17415 1 1113 . 1 1 387 387 GLN N N 15 122.6 0.1 . 1 . . . A 388 GLN N . 17415 1 1114 . 1 1 388 388 ILE H H 1 8.61 0.02 . 1 . . . A 389 ILE H . 17415 1 1115 . 1 1 388 388 ILE CA C 13 57.8 0.1 . 1 . . . A 389 ILE CA . 17415 1 1116 . 1 1 388 388 ILE CB C 13 33.7 0.1 . 1 . . . A 389 ILE CB . 17415 1 1117 . 1 1 388 388 ILE N N 15 126.7 0.1 . 1 . . . A 389 ILE N . 17415 1 1118 . 1 1 389 389 GLN H H 1 9.52 0.02 . 1 . . . A 390 GLN H . 17415 1 1119 . 1 1 389 389 GLN CA C 13 53.0 0.1 . 1 . . . A 390 GLN CA . 17415 1 1120 . 1 1 389 389 GLN CB C 13 29.6 0.1 . 1 . . . A 390 GLN CB . 17415 1 1121 . 1 1 389 389 GLN N N 15 129.4 0.1 . 1 . . . A 390 GLN N . 17415 1 1122 . 1 1 390 390 HIS H H 1 8.98 0.02 . 1 . . . A 391 HIS H . 17415 1 1123 . 1 1 390 390 HIS CA C 13 51.6 0.1 . 1 . . . A 391 HIS CA . 17415 1 1124 . 1 1 390 390 HIS N N 15 125.2 0.1 . 1 . . . A 391 HIS N . 17415 1 1125 . 1 1 391 391 LYS H H 1 8.85 0.02 . 1 . . . A 392 LYS H . 17415 1 1126 . 1 1 391 391 LYS CA C 13 53.6 0.1 . 1 . . . A 392 LYS CA . 17415 1 1127 . 1 1 391 391 LYS N N 15 119.3 0.1 . 1 . . . A 392 LYS N . 17415 1 1128 . 1 1 392 392 SER H H 1 8.79 0.02 . 1 . . . A 393 SER H . 17415 1 1129 . 1 1 392 392 SER CA C 13 54.0 0.1 . 1 . . . A 393 SER CA . 17415 1 1130 . 1 1 392 392 SER CB C 13 64.5 0.1 . 1 . . . A 393 SER CB . 17415 1 1131 . 1 1 392 392 SER N N 15 117.1 0.1 . 1 . . . A 393 SER N . 17415 1 1132 . 1 1 393 393 GLY H H 1 6.95 0.02 . 1 . . . A 394 GLY H . 17415 1 1133 . 1 1 393 393 GLY CA C 13 44.6 0.1 . 1 . . . A 394 GLY CA . 17415 1 1134 . 1 1 393 393 GLY N N 15 110.1 0.1 . 1 . . . A 394 GLY N . 17415 1 1135 . 1 1 394 394 ILE H H 1 8.25 0.02 . 1 . . . A 395 ILE H . 17415 1 1136 . 1 1 394 394 ILE CA C 13 61.0 0.1 . 1 . . . A 395 ILE CA . 17415 1 1137 . 1 1 394 394 ILE N N 15 124.9 0.1 . 1 . . . A 395 ILE N . 17415 1 1138 . 1 1 395 395 VAL H H 1 6.11 0.02 . 1 . . . A 396 VAL H . 17415 1 1139 . 1 1 395 395 VAL CA C 13 59.9 0.1 . 1 . . . A 396 VAL CA . 17415 1 1140 . 1 1 395 395 VAL CB C 13 35.3 0.1 . 1 . . . A 396 VAL CB . 17415 1 1141 . 1 1 395 395 VAL N N 15 112.5 0.1 . 1 . . . A 396 VAL N . 17415 1 1142 . 1 1 396 396 SER CA C 13 60.2 0.1 . 1 . . . A 397 SER CA . 17415 1 1143 . 1 1 397 397 GLY H H 1 8.71 0.02 . 1 . . . A 398 GLY H . 17415 1 1144 . 1 1 397 397 GLY CA C 13 43.7 0.1 . 1 . . . A 398 GLY CA . 17415 1 1145 . 1 1 397 397 GLY N N 15 102.4 0.1 . 1 . . . A 398 GLY N . 17415 1 1146 . 1 1 398 398 VAL H H 1 8.09 0.02 . 1 . . . A 399 VAL H . 17415 1 1147 . 1 1 398 398 VAL CA C 13 59.9 0.1 . 1 . . . A 399 VAL CA . 17415 1 1148 . 1 1 398 398 VAL CB C 13 32.2 0.1 . 1 . . . A 399 VAL CB . 17415 1 1149 . 1 1 398 398 VAL N N 15 119.6 0.1 . 1 . . . A 399 VAL N . 17415 1 1150 . 1 1 399 399 GLN H H 1 8.78 0.02 . 1 . . . A 400 GLN H . 17415 1 1151 . 1 1 399 399 GLN CA C 13 58.0 0.1 . 1 . . . A 400 GLN CA . 17415 1 1152 . 1 1 399 399 GLN CB C 13 27.8 0.1 . 1 . . . A 400 GLN CB . 17415 1 1153 . 1 1 399 399 GLN N N 15 125.2 0.1 . 1 . . . A 400 GLN N . 17415 1 1154 . 1 1 400 400 ALA H H 1 7.23 0.02 . 1 . . . A 401 ALA H . 17415 1 1155 . 1 1 400 400 ALA CA C 13 50.8 0.1 . 1 . . . A 401 ALA CA . 17415 1 1156 . 1 1 400 400 ALA CB C 13 19.9 0.1 . 1 . . . A 401 ALA CB . 17415 1 1157 . 1 1 400 400 ALA N N 15 117.5 0.1 . 1 . . . A 401 ALA N . 17415 1 1158 . 1 1 401 401 LEU H H 1 8.67 0.02 . 1 . . . A 402 LEU H . 17415 1 1159 . 1 1 401 401 LEU CA C 13 51.1 0.1 . 1 . . . A 402 LEU CA . 17415 1 1160 . 1 1 401 401 LEU CB C 13 42.2 0.1 . 1 . . . A 402 LEU CB . 17415 1 1161 . 1 1 401 401 LEU N N 15 120.2 0.1 . 1 . . . A 402 LEU N . 17415 1 1162 . 1 1 403 403 LEU H H 1 8.92 0.02 . 1 . . . A 404 LEU H . 17415 1 1163 . 1 1 403 403 LEU N N 15 125.9 0.1 . 1 . . . A 404 LEU N . 17415 1 1164 . 1 1 407 407 PRO CA C 13 63.8 0.1 . 1 . . . A 408 PRO CA . 17415 1 1165 . 1 1 407 407 PRO CB C 13 30.8 0.1 . 1 . . . A 408 PRO CB . 17415 1 1166 . 1 1 408 408 ALA H H 1 8.63 0.02 . 1 . . . A 409 ALA H . 17415 1 1167 . 1 1 408 408 ALA CA C 13 53.1 0.1 . 1 . . . A 409 ALA CA . 17415 1 1168 . 1 1 408 408 ALA CB C 13 17.0 0.1 . 1 . . . A 409 ALA CB . 17415 1 1169 . 1 1 408 408 ALA N N 15 121.7 0.1 . 1 . . . A 409 ALA N . 17415 1 1170 . 1 1 409 409 THR H H 1 8.13 0.02 . 1 . . . A 410 THR H . 17415 1 1171 . 1 1 409 409 THR CA C 13 60.5 0.1 . 1 . . . A 410 THR CA . 17415 1 1172 . 1 1 409 409 THR CB C 13 69.1 0.1 . 1 . . . A 410 THR CB . 17415 1 1173 . 1 1 409 409 THR N N 15 108.3 0.1 . 1 . . . A 410 THR N . 17415 1 1174 . 1 1 410 410 THR H H 1 7.29 0.02 . 1 . . . A 411 THR H . 17415 1 1175 . 1 1 410 410 THR CA C 13 59.5 0.1 . 1 . . . A 411 THR CA . 17415 1 1176 . 1 1 410 410 THR CB C 13 69.9 0.1 . 1 . . . A 411 THR CB . 17415 1 1177 . 1 1 410 410 THR N N 15 113.0 0.1 . 1 . . . A 411 THR N . 17415 1 1178 . 1 1 411 411 LYS H H 1 8.95 0.02 . 1 . . . A 412 LYS H . 17415 1 1179 . 1 1 411 411 LYS CA C 13 53.9 0.1 . 1 . . . A 412 LYS CA . 17415 1 1180 . 1 1 411 411 LYS CB C 13 33.1 0.1 . 1 . . . A 412 LYS CB . 17415 1 1181 . 1 1 411 411 LYS N N 15 121.1 0.1 . 1 . . . A 412 LYS N . 17415 1 1182 . 1 1 412 412 ALA H H 1 8.06 0.02 . 1 . . . A 413 ALA H . 17415 1 1183 . 1 1 412 412 ALA CA C 13 50.2 0.1 . 1 . . . A 413 ALA CA . 17415 1 1184 . 1 1 412 412 ALA CB C 13 17.4 0.1 . 1 . . . A 413 ALA CB . 17415 1 1185 . 1 1 412 412 ALA N N 15 125.5 0.1 . 1 . . . A 413 ALA N . 17415 1 1186 . 1 1 413 413 VAL H H 1 7.98 0.02 . 1 . . . A 414 VAL H . 17415 1 1187 . 1 1 413 413 VAL CA C 13 62.9 0.1 . 1 . . . A 414 VAL CA . 17415 1 1188 . 1 1 413 413 VAL CB C 13 32.0 0.1 . 1 . . . A 414 VAL CB . 17415 1 1189 . 1 1 413 413 VAL N N 15 127.3 0.1 . 1 . . . A 414 VAL N . 17415 1 stop_ save_