data_19763 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19763 _Entry.Title ; The delicate conformational balance of a redox enzyme: Cytochrome P450cam does not open but remains closed when its partner putidaredoxin binds. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-03 _Entry.Accession_date 2014-02-03 _Entry.Last_release_date 2015-06-22 _Entry.Original_release_date 2015-06-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _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 Simon Skinner . P. . 19763 2 Marcellus Ubbink . . . 19763 3 Yoshitaka Hiruma . . . 19763 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' . 19763 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Chemistry' . 19763 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19763 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 207 19763 '1H chemical shifts' 207 19763 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-06-22 . original BMRB . 19763 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19763 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073/pnas.1502351112 _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Delicate conformational balance of the redox enzyme cytochrome P450cam ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. USA' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2015 _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 Simon Skinner . P. . 19763 1 2 Wei-Min Liu . . . 19763 1 3 Yoshitaka Hiruma . . . 19763 1 4 Monika Timmer . . . 19763 1 5 Anneloes Blok . . . 19763 1 6 Mathias Hass . A.S. . 19763 1 7 Marcellus Ubbink . . . 19763 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19763 _Assembly.ID 1 _Assembly.Name MS1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 46633.007 _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 CYP101 1 $CYP101 A . yes native no no . . . 19763 1 2 'potassium ion' 2 $entity_K A . no native no no . . . 19763 1 3 'cyanide ion' 3 $entity_CYN A . no native no no . . . 19763 1 4 'Protoporphyrin IX containing Fe' 4 $entity_HEM A . no native no no . . . 19763 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CYP101 _Entity.Sf_category entity _Entity.Sf_framecode CYP101 _Entity.Entry_ID 19763 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CYP101 _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 ; TTETIQSNANLAPLPPHVPE HLVFDFDMYNPSNLSAGVQE AWAVLQESNVPDLVWTRCNG GHWIATRGQLIREAYEDYRH FSSECPFIPREAGEAYDFIP TSMDPPEQRQFRALANQVVG MPVVDKLENRIQELACSLIE SLRPQGQCNFTEDYAEPFPI RIFMLLAGLPEEDIPHLKYL TDQMTRPDGSMTFAEAKEAL YDYLIPIIEQRRQKPGTDAI SIVANGQVNGRPITSDEAKR MCGLLLVGGLDTVVNFLSFS MEFLAKSPEHRQELIERPER IPAACEELLRRFSLVADGRI LTSDYEFHGVQLKKGDQILL PQMLSGLDERENAAPMHVDF SRQKVSHTTFGHGSHLCLGQ HLARREIIVTLKEWLTRIPD FSIAPGAQIQHKSGIVSGVQ ALPLVWDPATTKAV ; _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 414 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation C334A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 46633.007 _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 99.52 99.76 0.00e+00 . . . . 19763 1 2 no BMRB 17415 . entity_1 . . . . . 99.76 413 99.76 99.76 0.00e+00 . . . . 19763 1 3 no BMRB 19038 . entity_1 . . . . . 97.58 404 99.50 99.75 0.00e+00 . . . . 19763 1 4 no BMRB 19740 . CYP101 . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 5 no PDB 1AKD . "Cytochrome P450cam From Pseudomonas Putida, Complexed With 1s-Camphor" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19763 1 6 no PDB 1C8J . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96F)" . . . . . 100.00 414 99.28 99.76 0.00e+00 . . . . 19763 1 7 no PDB 1CP4 . "Formation, Crystal Structure, And Rearrangement Of A Cytochrome P450-Cam Iron-Phenyl Complex" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 8 no PDB 1DZ4 . "Ferric P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19763 1 9 no PDB 1DZ6 . "Ferrous P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19763 1 10 no PDB 1DZ8 . "Oxygen Complex Of P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19763 1 11 no PDB 1DZ9 . "Putative Oxo Complex Of P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19763 1 12 no PDB 1GEB . "X-Ray Crystal Structure And Catalytic Properties Of Thr252ile Mutant Of Cytochrome P450cam" . . . . . 100.00 415 99.52 99.52 0.00e+00 . . . . 19763 1 13 no PDB 1GEK . "Structural Characterization Of N-Butyl-Isocyanide Complexes Of Cytochromes P450nor And P450cam" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 14 no PDB 1GEM . "Structural Characterization Of N-Butyl-Isocyanide Complexes Of Cytochromes P450nor And P450cam" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 15 no PDB 1GJM . "Covalent Attachment Of An Electroactive Sulphydryl Reagent In The Active Site Of Cytochrome P450cam" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 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 99.76 99.76 0.00e+00 . . . . 19763 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 99.52 99.76 0.00e+00 . . . . 19763 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 99.52 99.76 0.00e+00 . . . . 19763 1 19 no PDB 1J51 . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96FV247LC334A) WITH 1,3,5-Trichlorobenzene" . . . . . 100.00 414 99.28 100.00 0.00e+00 . . . . 19763 1 20 no PDB 1K2O . "Cytochrome P450cam With Bound Bis(2,2'-Bipyridine)-(5-Methyl-2-2'- Bipyridine)-C2-Adamantane Ruthenium (Ii)" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 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 99.76 99.76 0.00e+00 . . . . 19763 1 22 no PDB 1MPW . "Molecular Recognition In (+)-a-pinene Oxidation By Cytochrome P450cam" . . . . . 100.00 414 99.28 100.00 0.00e+00 . . . . 19763 1 23 no PDB 1NOO . "Cytochrome P450-Cam Complexed With 5-Exo-Hydroxycamphor" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 24 no PDB 1O76 . "Cyanide Complex Of P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19763 1 25 no PDB 1P2Y . "Crystal Structure Of Cytochrome P450cam In Complex With (S)- (-)-Nicotine" . . . . . 100.00 420 99.76 99.76 0.00e+00 . . . . 19763 1 26 no PDB 1P7R . "Crystal Structure Of Reduced, Co-Exposed Complex Of Cytochrome P450cam With (S)-(-)-Nicotine" . . . . . 100.00 420 99.76 99.76 0.00e+00 . . . . 19763 1 27 no PDB 1PHA . "Inhibitor-Induced Conformational Change In Cytochrome P450- Cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 28 no PDB 1PHB . "Inhibitor-Induced Conformational Change In Cytochrome P450- Cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 29 no PDB 1PHC . "Crystal Structure Of Substrate-free Pseudomonas Putida Cytochrome P450" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 30 no PDB 1PHD . "Crystal Structures Of Metyrapone-And Phenylimidazole-Inhibited Complexes Of Cytochrome P450-Cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 31 no PDB 1PHE . "Crystal Structures Of Metyrapone-And Phenylimidazole-Inhibited Complexes Of Cytochrome P450-Cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 32 no PDB 1PHF . "Crystal Structures Of Metyrapone-And Phenylimidazole- Inhibited Complexes Of Cytochrome P450-Cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 33 no PDB 1PHG . "Crystal Structures Of Metyrapone-And Phenylimidazole- Inhibited Complexes Of Cytochrome P450-Cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 34 no PDB 1QMQ . "Optical Detection Of Cytochrome P450 By Sensitizer-Linked Substrates" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 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 99.76 99.76 0.00e+00 . . . . 19763 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 99.76 99.76 0.00e+00 . . . . 19763 1 37 no PDB 1T85 . "Crystal Structure Of The Ferrous Co-Bound Cytochrome P450cam Mutant (L358pC334A)" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 38 no PDB 1T86 . "Crystal Structure Of The Ferrous Cytochrome P450cam Mutant (L358pC334A)" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 39 no PDB 1T87 . "Crystal Structure Of The Ferrous Co-Bound Cytochrome P450cam (C334a)" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 40 no PDB 1T88 . "Crystal Structure Of The Ferrous Cytochrome P450cam (C334a)" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 41 no PDB 1UYU . "Xenon Complex Of Wildtype P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19763 1 42 no PDB 1YRC . "X-ray Crystal Structure Of Hydrogenated Cytochrome P450cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 43 no PDB 1YRD . "X-Ray Crystal Structure Of Perdeuterated Cytochrome P450cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 44 no PDB 2A1M . "Crystal Structure Of Ferrous Dioxygen Complex Of Wild-Type Cytochrome P450cam" . . . . . 100.00 415 100.00 100.00 0.00e+00 . . . . 19763 1 45 no PDB 2A1N . "Crystal Structure Of Ferrous Dioxygen Complex Of D251n Cytochrome P450cam" . . . . . 100.00 415 99.76 100.00 0.00e+00 . . . . 19763 1 46 no PDB 2A1O . "Crystal Structure Of Ferrous Dioxygen Complex Of T252a Cytochrome P450cam" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 47 no PDB 2CP4 . "Crystal Structure Of The Cytochrome P450-Cam Active Site Mutant Thr252ala" . . . . . 100.00 414 99.52 99.52 0.00e+00 . . . . 19763 1 48 no PDB 2CPP . "High-Resolution Crystal Structure Of Cytochrome P450-Cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 49 no PDB 2FE6 . "P450cam From Pseudomonas Putida Reconstituted With Manganic Protoporphyrin Ix" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19763 1 50 no PDB 2FER . "P450cam From Pseudomonas Putida Reconstituted With Manganic Protoporphyrin Ix" . . . . . 97.83 411 99.75 99.75 0.00e+00 . . . . 19763 1 51 no PDB 2FEU . "P450cam From Pseudomonas Putida Reconstituted With Manganic Protoporphyrin Ix" . . . . . 97.83 411 99.75 99.75 0.00e+00 . . . . 19763 1 52 no PDB 2FRZ . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96FV247LC334A)" . . . . . 100.00 414 99.28 100.00 0.00e+00 . . . . 19763 1 53 no PDB 2GQX . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96FL244AV247LC334A) WITH PENTACHLOROBENZENE" . . . . . 97.83 405 99.01 99.75 0.00e+00 . . . . 19763 1 54 no PDB 2GR6 . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96FL244AV247LC334A)" . . . . . 97.83 405 99.01 99.75 0.00e+00 . . . . 19763 1 55 no PDB 2H7Q . "Cytochrome P450cam Complexed With Imidazole" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 56 no PDB 2H7R . "L244a Mutant Of Cytochrome P450cam Complexed With Imidazole" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 57 no PDB 2H7S . "L244a Mutant Of Cytochrome P450cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 58 no PDB 2L8M . "Reduced And Co-Bound Cytochrome P450cam (Cyp101a1)" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 59 no PDB 2LQD . "Reduced And Co-Bound Cytochrome P450cam (Cyp101a1)" . . . . . 97.83 405 99.75 99.75 0.00e+00 . . . . 19763 1 60 no PDB 2M56 . "The Structure Of The Complex Of Cytochrome P450cam And Its Electron Donor Putidaredoxin Determined By Paramagnetic Nmr Spectros" . . . . . 97.58 404 99.50 99.75 0.00e+00 . . . . 19763 1 61 no PDB 2QBL . "Crystal Structure Of Ferric G248t Cytochrome P450cam" . . . . . 100.00 421 99.52 99.52 0.00e+00 . . . . 19763 1 62 no PDB 2QBM . "Crystal Structure Of The P450cam G248t Mutant In The Cyanide Bound State" . . . . . 100.00 421 99.52 99.52 0.00e+00 . . . . 19763 1 63 no PDB 2QBN . "Crystal Structure Of Ferric G248v Cytochrome P450cam" . . . . . 100.00 421 99.52 99.52 0.00e+00 . . . . 19763 1 64 no PDB 2QBO . "Crystal Structure Of The P450cam G248v Mutant In The Cyanide Bound State" . . . . . 100.00 421 99.52 99.52 0.00e+00 . . . . 19763 1 65 no PDB 2Z97 . "Crystal Structure Of Ferric Cytochrome P450cam Reconstituted With 7- Methyl-7-Depropionated Hemin" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 66 no PDB 2ZAW . "Crystal Structure Of Ferric Cytochrome P450cam Reconstituted With 6- Methyl-6-Depropionated Hemin" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 67 no PDB 2ZAX . "Crystal Structure Of Ferric Cytochrome P450cam" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 68 no PDB 2ZUH . "Crystal Structure Of Camphor-Soaked Ferric Cytochrome P450cam Mutant (D297a)" . . . . . 100.00 415 99.52 99.52 0.00e+00 . . . . 19763 1 69 no PDB 2ZUI . "Crystal Structure Of Camphor-Soaked Ferric Cytochrome P450cam Mutant (D297n)" . . . . . 100.00 415 99.52 99.76 0.00e+00 . . . . 19763 1 70 no PDB 2ZUJ . "Crystal Structure Of Camphor-Soaked Ferric Cytochrome P450cam Mutant(D297l)" . . . . . 100.00 415 99.52 99.52 0.00e+00 . . . . 19763 1 71 no PDB 2ZWT . "Crystal Structure Of Ferric Cytochrome P450cam" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 72 no PDB 2ZWU . "Crystal Structure Of Camphor Soaked Ferric Cytochrome P450cam" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 73 no PDB 3CP4 . "Crystal Structure Of The Cytochrome P450-Cam Active Site Mutant Thr252ala" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 74 no PDB 3CPP . "Crystal Structure Of The Carbon Monoxy-Substrate-Cytochrome P450-Cam Ternary Complex" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 75 no PDB 3FWF . "Ferric Camphor Bound Cytochrome P450cam Containing A Selenocysteine As The 5th Heme Ligand, Monoclinic Crystal Form" . . . . . 97.83 405 98.77 99.26 0.00e+00 . . . . 19763 1 76 no PDB 3FWG . "Ferric Camphor Bound Cytochrome P450cam, Arg365leu, Glu366gln, Monoclinic Crystal Form" . . . . . 97.83 405 99.01 99.51 0.00e+00 . . . . 19763 1 77 no PDB 3FWI . "Ferric Camphor Bound Cytochrome P450cam Containing A Selenocysteine As The 5th Heme Ligand, Tetragonal Crystal Form" . . . . . 97.83 405 99.01 99.26 0.00e+00 . . . . 19763 1 78 no PDB 3FWJ . "Ferric Camphor Bound Cytochrome P450cam Containing A Selenocysteine As The 5th Heme Ligand, Orthorombic Crystal Form" . . . . . 97.83 405 99.01 99.26 0.00e+00 . . . . 19763 1 79 no PDB 3L61 . "Crystal Structure Of Substrate-Free P450cam At 200 Mm [k+]" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 80 no PDB 3L62 . "Crystal Structure Of Substrate-Free P450cam At Low [k+]" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 81 no PDB 3L63 . "Crystal Structure Of Camphor-Bound P450cam At Low [k+]" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 82 no PDB 3OIA . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac1-C8gluetg-Bio" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 83 no PDB 3OL5 . "Crystal Structure Of Cytochrome P450cam Crystallized With A Tethered Substrate Analog 3oh-Adac1-C8-Dans" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 84 no PDB 3P6M . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac1-C8-Dans" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 85 no PDB 3P6N . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac1-C8-Dans" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 86 no PDB 3P6O . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac1-Etg-Dans" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 87 no PDB 3P6P . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac1-C6-Bio" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 88 no PDB 3P6Q . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac2-Etg-Boc" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 89 no PDB 3P6R . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog 3oh-Adac1-Etg-Boc" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 90 no PDB 3P6S . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac2-C8-Dans" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 91 no PDB 3P6T . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac2-C8-Dans" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 92 no PDB 3P6U . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac3-C6-Dans" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 93 no PDB 3P6V . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog 3et-Adac1-Etg-Boc" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 94 no PDB 3P6W . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac3-Etg-Boc" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 95 no PDB 3P6X . "Crystal Structure Of Cytochrome P450cam Crystallized In The Presence Of A Tethered Substrate Analog Adac3-C8-Dans" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 96 no PDB 3W9C . "Crystal Structure Of The Electron Transfer Complex Of Cytochrome P450cam With Putidaredoxin" . . . . . 100.00 416 99.52 99.52 0.00e+00 . . . . 19763 1 97 no PDB 3WRH . "Crystal Structure Of P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19763 1 98 no PDB 3WRI . "Crystal Structure Of P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19763 1 99 no PDB 3WRJ . "Crystal Structure Of P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19763 1 100 no PDB 3WRK . "Crystal Structure Of P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19763 1 101 no PDB 3WRL . "Crystal Structure Of P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19763 1 102 no PDB 3WRM . "Crystal Structure Of P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19763 1 103 no PDB 4CP4 . "Crystal Structure Of The Cytochrome P450-Cam Active Site Mutant Thr252ala" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 104 no PDB 4CPP . "Crystal Structures Of Cytochrome P450-Cam Complexed With Camphane, Thiocamphor, And Adamantane: Factors Controlling P450 Substr" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 105 no PDB 4EK1 . "Crystal Structure Of Electron-Spin Labeled Cytochrome P450cam" . . . . . 100.00 414 98.55 98.55 0.00e+00 . . . . 19763 1 106 no PDB 4G3R . "Crystal Structure Of Nitrosyl Cytochrome P450cam" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19763 1 107 no PDB 4JWS . "Crystal Structure Of Cytochrome P450cam-putidaredoxin Complex" . . . . . 100.00 415 98.79 98.79 0.00e+00 . . . . 19763 1 108 no PDB 4JWU . "Crystal Structure Of Cytochrome P450cam-putidaredoxin Complex" . . . . . 100.00 415 98.79 98.79 0.00e+00 . . . . 19763 1 109 no PDB 4JX1 . "Crystal Structure Of Reduced Cytochrome P450cam-putidaredoxin Complex Bound To Camphor And 5-exo-hydroxycamphor" . . . . . 100.00 415 98.79 98.79 0.00e+00 . . . . 19763 1 110 no PDB 4KKY . "Crystal Structure Of N-(1-pyrene)acetamide Labeled P450cam In Substrate Bound Form" . . . . . 99.76 413 98.55 98.55 0.00e+00 . . . . 19763 1 111 no PDB 4L49 . "Structure Of L358a Mutant Of P450cam Bound To Camphor" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 112 no PDB 4L4A . "Structure Of L358a/k178g Mutant Of P450cam Bound To Camphor" . . . . . 100.00 415 99.52 99.52 0.00e+00 . . . . 19763 1 113 no PDB 4L4B . "Structure Of L358a/k178g/d182n Mutant Of P450cam Bound To Camphor" . . . . . 100.00 415 99.28 99.52 0.00e+00 . . . . 19763 1 114 no PDB 4L4C . "Structure Of L358p/k178g Mutant Of P450cam Bound To Camphor" . . . . . 100.00 415 99.52 99.52 0.00e+00 . . . . 19763 1 115 no PDB 4L4D . "Structure Of Cyanide And Camphor Bound P450cam Mutant L358a" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 116 no PDB 4L4E . "Structure Of Cyanide And Camphor Bound P450cam Mutant L358a/k178g" . . . . . 100.00 415 99.52 99.52 0.00e+00 . . . . 19763 1 117 no PDB 4L4F . "Structure Of Cyanide And Camphor Bound P450cam Mutant L358a/k178g/d182n" . . . . . 100.00 415 99.28 99.52 0.00e+00 . . . . 19763 1 118 no PDB 4L4G . "Structure Of Cyanide And Camphor Bound P450cam Mutant L358p/k178g" . . . . . 100.00 415 99.52 99.52 0.00e+00 . . . . 19763 1 119 no PDB 5CP4 . "Cryogenic Structure Of P450cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 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 99.76 99.76 0.00e+00 . . . . 19763 1 121 no PDB 6CP4 . "P450cam D251n Mutant" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19763 1 122 no PDB 6CPP . "Crystal Structures Of Cytochrome P450-Cam Complexed With Camphane, Thiocamphor, And Adamantane: Factors Controlling P450 Substr" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 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 99.76 99.76 0.00e+00 . . . . 19763 1 124 no PDB 8CPP . "Crystal Structures Of Cytochrome P450-Cam Complexed With Camphane, Thiocamphor, And Adamantane: Factors Controlling P450 Substr" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19763 1 125 no DBJ BAN13286 . "cytochrome P-450cam [Pseudomonas putida]" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 126 no GB AAA25760 . "cytochrome P-450-cam [Pseudomonas putida]" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 127 no REF WP_032492633 . "camphor 5-monooxygenase [Pseudomonas putida]" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 128 no REF YP_009083112 . "cytochrome P-450cam [Pseudomonas putida]" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 129 no SP P00183 . "RecName: Full=Camphor 5-monooxygenase; AltName: Full=Cytochrome P450-cam; Short=Cytochrome P450cam" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19763 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 THR . 19763 1 2 2 THR . 19763 1 3 3 GLU . 19763 1 4 4 THR . 19763 1 5 5 ILE . 19763 1 6 6 GLN . 19763 1 7 7 SER . 19763 1 8 8 ASN . 19763 1 9 9 ALA . 19763 1 10 10 ASN . 19763 1 11 11 LEU . 19763 1 12 12 ALA . 19763 1 13 13 PRO . 19763 1 14 14 LEU . 19763 1 15 15 PRO . 19763 1 16 16 PRO . 19763 1 17 17 HIS . 19763 1 18 18 VAL . 19763 1 19 19 PRO . 19763 1 20 20 GLU . 19763 1 21 21 HIS . 19763 1 22 22 LEU . 19763 1 23 23 VAL . 19763 1 24 24 PHE . 19763 1 25 25 ASP . 19763 1 26 26 PHE . 19763 1 27 27 ASP . 19763 1 28 28 MET . 19763 1 29 29 TYR . 19763 1 30 30 ASN . 19763 1 31 31 PRO . 19763 1 32 32 SER . 19763 1 33 33 ASN . 19763 1 34 34 LEU . 19763 1 35 35 SER . 19763 1 36 36 ALA . 19763 1 37 37 GLY . 19763 1 38 38 VAL . 19763 1 39 39 GLN . 19763 1 40 40 GLU . 19763 1 41 41 ALA . 19763 1 42 42 TRP . 19763 1 43 43 ALA . 19763 1 44 44 VAL . 19763 1 45 45 LEU . 19763 1 46 46 GLN . 19763 1 47 47 GLU . 19763 1 48 48 SER . 19763 1 49 49 ASN . 19763 1 50 50 VAL . 19763 1 51 51 PRO . 19763 1 52 52 ASP . 19763 1 53 53 LEU . 19763 1 54 54 VAL . 19763 1 55 55 TRP . 19763 1 56 56 THR . 19763 1 57 57 ARG . 19763 1 58 58 CYS . 19763 1 59 59 ASN . 19763 1 60 60 GLY . 19763 1 61 61 GLY . 19763 1 62 62 HIS . 19763 1 63 63 TRP . 19763 1 64 64 ILE . 19763 1 65 65 ALA . 19763 1 66 66 THR . 19763 1 67 67 ARG . 19763 1 68 68 GLY . 19763 1 69 69 GLN . 19763 1 70 70 LEU . 19763 1 71 71 ILE . 19763 1 72 72 ARG . 19763 1 73 73 GLU . 19763 1 74 74 ALA . 19763 1 75 75 TYR . 19763 1 76 76 GLU . 19763 1 77 77 ASP . 19763 1 78 78 TYR . 19763 1 79 79 ARG . 19763 1 80 80 HIS . 19763 1 81 81 PHE . 19763 1 82 82 SER . 19763 1 83 83 SER . 19763 1 84 84 GLU . 19763 1 85 85 CYS . 19763 1 86 86 PRO . 19763 1 87 87 PHE . 19763 1 88 88 ILE . 19763 1 89 89 PRO . 19763 1 90 90 ARG . 19763 1 91 91 GLU . 19763 1 92 92 ALA . 19763 1 93 93 GLY . 19763 1 94 94 GLU . 19763 1 95 95 ALA . 19763 1 96 96 TYR . 19763 1 97 97 ASP . 19763 1 98 98 PHE . 19763 1 99 99 ILE . 19763 1 100 100 PRO . 19763 1 101 101 THR . 19763 1 102 102 SER . 19763 1 103 103 MET . 19763 1 104 104 ASP . 19763 1 105 105 PRO . 19763 1 106 106 PRO . 19763 1 107 107 GLU . 19763 1 108 108 GLN . 19763 1 109 109 ARG . 19763 1 110 110 GLN . 19763 1 111 111 PHE . 19763 1 112 112 ARG . 19763 1 113 113 ALA . 19763 1 114 114 LEU . 19763 1 115 115 ALA . 19763 1 116 116 ASN . 19763 1 117 117 GLN . 19763 1 118 118 VAL . 19763 1 119 119 VAL . 19763 1 120 120 GLY . 19763 1 121 121 MET . 19763 1 122 122 PRO . 19763 1 123 123 VAL . 19763 1 124 124 VAL . 19763 1 125 125 ASP . 19763 1 126 126 LYS . 19763 1 127 127 LEU . 19763 1 128 128 GLU . 19763 1 129 129 ASN . 19763 1 130 130 ARG . 19763 1 131 131 ILE . 19763 1 132 132 GLN . 19763 1 133 133 GLU . 19763 1 134 134 LEU . 19763 1 135 135 ALA . 19763 1 136 136 CYS . 19763 1 137 137 SER . 19763 1 138 138 LEU . 19763 1 139 139 ILE . 19763 1 140 140 GLU . 19763 1 141 141 SER . 19763 1 142 142 LEU . 19763 1 143 143 ARG . 19763 1 144 144 PRO . 19763 1 145 145 GLN . 19763 1 146 146 GLY . 19763 1 147 147 GLN . 19763 1 148 148 CYS . 19763 1 149 149 ASN . 19763 1 150 150 PHE . 19763 1 151 151 THR . 19763 1 152 152 GLU . 19763 1 153 153 ASP . 19763 1 154 154 TYR . 19763 1 155 155 ALA . 19763 1 156 156 GLU . 19763 1 157 157 PRO . 19763 1 158 158 PHE . 19763 1 159 159 PRO . 19763 1 160 160 ILE . 19763 1 161 161 ARG . 19763 1 162 162 ILE . 19763 1 163 163 PHE . 19763 1 164 164 MET . 19763 1 165 165 LEU . 19763 1 166 166 LEU . 19763 1 167 167 ALA . 19763 1 168 168 GLY . 19763 1 169 169 LEU . 19763 1 170 170 PRO . 19763 1 171 171 GLU . 19763 1 172 172 GLU . 19763 1 173 173 ASP . 19763 1 174 174 ILE . 19763 1 175 175 PRO . 19763 1 176 176 HIS . 19763 1 177 177 LEU . 19763 1 178 178 LYS . 19763 1 179 179 TYR . 19763 1 180 180 LEU . 19763 1 181 181 THR . 19763 1 182 182 ASP . 19763 1 183 183 GLN . 19763 1 184 184 MET . 19763 1 185 185 THR . 19763 1 186 186 ARG . 19763 1 187 187 PRO . 19763 1 188 188 ASP . 19763 1 189 189 GLY . 19763 1 190 190 SER . 19763 1 191 191 MET . 19763 1 192 192 THR . 19763 1 193 193 PHE . 19763 1 194 194 ALA . 19763 1 195 195 GLU . 19763 1 196 196 ALA . 19763 1 197 197 LYS . 19763 1 198 198 GLU . 19763 1 199 199 ALA . 19763 1 200 200 LEU . 19763 1 201 201 TYR . 19763 1 202 202 ASP . 19763 1 203 203 TYR . 19763 1 204 204 LEU . 19763 1 205 205 ILE . 19763 1 206 206 PRO . 19763 1 207 207 ILE . 19763 1 208 208 ILE . 19763 1 209 209 GLU . 19763 1 210 210 GLN . 19763 1 211 211 ARG . 19763 1 212 212 ARG . 19763 1 213 213 GLN . 19763 1 214 214 LYS . 19763 1 215 215 PRO . 19763 1 216 216 GLY . 19763 1 217 217 THR . 19763 1 218 218 ASP . 19763 1 219 219 ALA . 19763 1 220 220 ILE . 19763 1 221 221 SER . 19763 1 222 222 ILE . 19763 1 223 223 VAL . 19763 1 224 224 ALA . 19763 1 225 225 ASN . 19763 1 226 226 GLY . 19763 1 227 227 GLN . 19763 1 228 228 VAL . 19763 1 229 229 ASN . 19763 1 230 230 GLY . 19763 1 231 231 ARG . 19763 1 232 232 PRO . 19763 1 233 233 ILE . 19763 1 234 234 THR . 19763 1 235 235 SER . 19763 1 236 236 ASP . 19763 1 237 237 GLU . 19763 1 238 238 ALA . 19763 1 239 239 LYS . 19763 1 240 240 ARG . 19763 1 241 241 MET . 19763 1 242 242 CYS . 19763 1 243 243 GLY . 19763 1 244 244 LEU . 19763 1 245 245 LEU . 19763 1 246 246 LEU . 19763 1 247 247 VAL . 19763 1 248 248 GLY . 19763 1 249 249 GLY . 19763 1 250 250 LEU . 19763 1 251 251 ASP . 19763 1 252 252 THR . 19763 1 253 253 VAL . 19763 1 254 254 VAL . 19763 1 255 255 ASN . 19763 1 256 256 PHE . 19763 1 257 257 LEU . 19763 1 258 258 SER . 19763 1 259 259 PHE . 19763 1 260 260 SER . 19763 1 261 261 MET . 19763 1 262 262 GLU . 19763 1 263 263 PHE . 19763 1 264 264 LEU . 19763 1 265 265 ALA . 19763 1 266 266 LYS . 19763 1 267 267 SER . 19763 1 268 268 PRO . 19763 1 269 269 GLU . 19763 1 270 270 HIS . 19763 1 271 271 ARG . 19763 1 272 272 GLN . 19763 1 273 273 GLU . 19763 1 274 274 LEU . 19763 1 275 275 ILE . 19763 1 276 276 GLU . 19763 1 277 277 ARG . 19763 1 278 278 PRO . 19763 1 279 279 GLU . 19763 1 280 280 ARG . 19763 1 281 281 ILE . 19763 1 282 282 PRO . 19763 1 283 283 ALA . 19763 1 284 284 ALA . 19763 1 285 285 CYS . 19763 1 286 286 GLU . 19763 1 287 287 GLU . 19763 1 288 288 LEU . 19763 1 289 289 LEU . 19763 1 290 290 ARG . 19763 1 291 291 ARG . 19763 1 292 292 PHE . 19763 1 293 293 SER . 19763 1 294 294 LEU . 19763 1 295 295 VAL . 19763 1 296 296 ALA . 19763 1 297 297 ASP . 19763 1 298 298 GLY . 19763 1 299 299 ARG . 19763 1 300 300 ILE . 19763 1 301 301 LEU . 19763 1 302 302 THR . 19763 1 303 303 SER . 19763 1 304 304 ASP . 19763 1 305 305 TYR . 19763 1 306 306 GLU . 19763 1 307 307 PHE . 19763 1 308 308 HIS . 19763 1 309 309 GLY . 19763 1 310 310 VAL . 19763 1 311 311 GLN . 19763 1 312 312 LEU . 19763 1 313 313 LYS . 19763 1 314 314 LYS . 19763 1 315 315 GLY . 19763 1 316 316 ASP . 19763 1 317 317 GLN . 19763 1 318 318 ILE . 19763 1 319 319 LEU . 19763 1 320 320 LEU . 19763 1 321 321 PRO . 19763 1 322 322 GLN . 19763 1 323 323 MET . 19763 1 324 324 LEU . 19763 1 325 325 SER . 19763 1 326 326 GLY . 19763 1 327 327 LEU . 19763 1 328 328 ASP . 19763 1 329 329 GLU . 19763 1 330 330 ARG . 19763 1 331 331 GLU . 19763 1 332 332 ASN . 19763 1 333 333 ALA . 19763 1 334 334 ALA . 19763 1 335 335 PRO . 19763 1 336 336 MET . 19763 1 337 337 HIS . 19763 1 338 338 VAL . 19763 1 339 339 ASP . 19763 1 340 340 PHE . 19763 1 341 341 SER . 19763 1 342 342 ARG . 19763 1 343 343 GLN . 19763 1 344 344 LYS . 19763 1 345 345 VAL . 19763 1 346 346 SER . 19763 1 347 347 HIS . 19763 1 348 348 THR . 19763 1 349 349 THR . 19763 1 350 350 PHE . 19763 1 351 351 GLY . 19763 1 352 352 HIS . 19763 1 353 353 GLY . 19763 1 354 354 SER . 19763 1 355 355 HIS . 19763 1 356 356 LEU . 19763 1 357 357 CYS . 19763 1 358 358 LEU . 19763 1 359 359 GLY . 19763 1 360 360 GLN . 19763 1 361 361 HIS . 19763 1 362 362 LEU . 19763 1 363 363 ALA . 19763 1 364 364 ARG . 19763 1 365 365 ARG . 19763 1 366 366 GLU . 19763 1 367 367 ILE . 19763 1 368 368 ILE . 19763 1 369 369 VAL . 19763 1 370 370 THR . 19763 1 371 371 LEU . 19763 1 372 372 LYS . 19763 1 373 373 GLU . 19763 1 374 374 TRP . 19763 1 375 375 LEU . 19763 1 376 376 THR . 19763 1 377 377 ARG . 19763 1 378 378 ILE . 19763 1 379 379 PRO . 19763 1 380 380 ASP . 19763 1 381 381 PHE . 19763 1 382 382 SER . 19763 1 383 383 ILE . 19763 1 384 384 ALA . 19763 1 385 385 PRO . 19763 1 386 386 GLY . 19763 1 387 387 ALA . 19763 1 388 388 GLN . 19763 1 389 389 ILE . 19763 1 390 390 GLN . 19763 1 391 391 HIS . 19763 1 392 392 LYS . 19763 1 393 393 SER . 19763 1 394 394 GLY . 19763 1 395 395 ILE . 19763 1 396 396 VAL . 19763 1 397 397 SER . 19763 1 398 398 GLY . 19763 1 399 399 VAL . 19763 1 400 400 GLN . 19763 1 401 401 ALA . 19763 1 402 402 LEU . 19763 1 403 403 PRO . 19763 1 404 404 LEU . 19763 1 405 405 VAL . 19763 1 406 406 TRP . 19763 1 407 407 ASP . 19763 1 408 408 PRO . 19763 1 409 409 ALA . 19763 1 410 410 THR . 19763 1 411 411 THR . 19763 1 412 412 LYS . 19763 1 413 413 ALA . 19763 1 414 414 VAL . 19763 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 19763 1 . THR 2 2 19763 1 . GLU 3 3 19763 1 . THR 4 4 19763 1 . ILE 5 5 19763 1 . GLN 6 6 19763 1 . SER 7 7 19763 1 . ASN 8 8 19763 1 . ALA 9 9 19763 1 . ASN 10 10 19763 1 . LEU 11 11 19763 1 . ALA 12 12 19763 1 . PRO 13 13 19763 1 . LEU 14 14 19763 1 . PRO 15 15 19763 1 . PRO 16 16 19763 1 . HIS 17 17 19763 1 . VAL 18 18 19763 1 . PRO 19 19 19763 1 . GLU 20 20 19763 1 . HIS 21 21 19763 1 . LEU 22 22 19763 1 . VAL 23 23 19763 1 . PHE 24 24 19763 1 . ASP 25 25 19763 1 . PHE 26 26 19763 1 . ASP 27 27 19763 1 . MET 28 28 19763 1 . TYR 29 29 19763 1 . ASN 30 30 19763 1 . PRO 31 31 19763 1 . SER 32 32 19763 1 . ASN 33 33 19763 1 . LEU 34 34 19763 1 . SER 35 35 19763 1 . ALA 36 36 19763 1 . GLY 37 37 19763 1 . VAL 38 38 19763 1 . GLN 39 39 19763 1 . GLU 40 40 19763 1 . ALA 41 41 19763 1 . TRP 42 42 19763 1 . ALA 43 43 19763 1 . VAL 44 44 19763 1 . LEU 45 45 19763 1 . GLN 46 46 19763 1 . GLU 47 47 19763 1 . SER 48 48 19763 1 . ASN 49 49 19763 1 . VAL 50 50 19763 1 . PRO 51 51 19763 1 . ASP 52 52 19763 1 . LEU 53 53 19763 1 . VAL 54 54 19763 1 . TRP 55 55 19763 1 . THR 56 56 19763 1 . ARG 57 57 19763 1 . CYS 58 58 19763 1 . ASN 59 59 19763 1 . GLY 60 60 19763 1 . GLY 61 61 19763 1 . HIS 62 62 19763 1 . TRP 63 63 19763 1 . ILE 64 64 19763 1 . ALA 65 65 19763 1 . THR 66 66 19763 1 . ARG 67 67 19763 1 . GLY 68 68 19763 1 . GLN 69 69 19763 1 . LEU 70 70 19763 1 . ILE 71 71 19763 1 . ARG 72 72 19763 1 . GLU 73 73 19763 1 . ALA 74 74 19763 1 . TYR 75 75 19763 1 . GLU 76 76 19763 1 . ASP 77 77 19763 1 . TYR 78 78 19763 1 . ARG 79 79 19763 1 . HIS 80 80 19763 1 . PHE 81 81 19763 1 . SER 82 82 19763 1 . SER 83 83 19763 1 . GLU 84 84 19763 1 . CYS 85 85 19763 1 . PRO 86 86 19763 1 . PHE 87 87 19763 1 . ILE 88 88 19763 1 . PRO 89 89 19763 1 . ARG 90 90 19763 1 . GLU 91 91 19763 1 . ALA 92 92 19763 1 . GLY 93 93 19763 1 . GLU 94 94 19763 1 . ALA 95 95 19763 1 . TYR 96 96 19763 1 . ASP 97 97 19763 1 . PHE 98 98 19763 1 . ILE 99 99 19763 1 . PRO 100 100 19763 1 . THR 101 101 19763 1 . SER 102 102 19763 1 . MET 103 103 19763 1 . ASP 104 104 19763 1 . PRO 105 105 19763 1 . PRO 106 106 19763 1 . GLU 107 107 19763 1 . GLN 108 108 19763 1 . ARG 109 109 19763 1 . GLN 110 110 19763 1 . PHE 111 111 19763 1 . ARG 112 112 19763 1 . ALA 113 113 19763 1 . LEU 114 114 19763 1 . ALA 115 115 19763 1 . ASN 116 116 19763 1 . GLN 117 117 19763 1 . VAL 118 118 19763 1 . VAL 119 119 19763 1 . GLY 120 120 19763 1 . MET 121 121 19763 1 . PRO 122 122 19763 1 . VAL 123 123 19763 1 . VAL 124 124 19763 1 . ASP 125 125 19763 1 . LYS 126 126 19763 1 . LEU 127 127 19763 1 . GLU 128 128 19763 1 . ASN 129 129 19763 1 . ARG 130 130 19763 1 . ILE 131 131 19763 1 . GLN 132 132 19763 1 . GLU 133 133 19763 1 . LEU 134 134 19763 1 . ALA 135 135 19763 1 . CYS 136 136 19763 1 . SER 137 137 19763 1 . LEU 138 138 19763 1 . ILE 139 139 19763 1 . GLU 140 140 19763 1 . SER 141 141 19763 1 . LEU 142 142 19763 1 . ARG 143 143 19763 1 . PRO 144 144 19763 1 . GLN 145 145 19763 1 . GLY 146 146 19763 1 . GLN 147 147 19763 1 . CYS 148 148 19763 1 . ASN 149 149 19763 1 . PHE 150 150 19763 1 . THR 151 151 19763 1 . GLU 152 152 19763 1 . ASP 153 153 19763 1 . TYR 154 154 19763 1 . ALA 155 155 19763 1 . GLU 156 156 19763 1 . PRO 157 157 19763 1 . PHE 158 158 19763 1 . PRO 159 159 19763 1 . ILE 160 160 19763 1 . ARG 161 161 19763 1 . ILE 162 162 19763 1 . PHE 163 163 19763 1 . MET 164 164 19763 1 . LEU 165 165 19763 1 . LEU 166 166 19763 1 . ALA 167 167 19763 1 . GLY 168 168 19763 1 . LEU 169 169 19763 1 . PRO 170 170 19763 1 . GLU 171 171 19763 1 . GLU 172 172 19763 1 . ASP 173 173 19763 1 . ILE 174 174 19763 1 . PRO 175 175 19763 1 . HIS 176 176 19763 1 . LEU 177 177 19763 1 . LYS 178 178 19763 1 . TYR 179 179 19763 1 . LEU 180 180 19763 1 . THR 181 181 19763 1 . ASP 182 182 19763 1 . GLN 183 183 19763 1 . MET 184 184 19763 1 . THR 185 185 19763 1 . ARG 186 186 19763 1 . PRO 187 187 19763 1 . ASP 188 188 19763 1 . GLY 189 189 19763 1 . SER 190 190 19763 1 . MET 191 191 19763 1 . THR 192 192 19763 1 . PHE 193 193 19763 1 . ALA 194 194 19763 1 . GLU 195 195 19763 1 . ALA 196 196 19763 1 . LYS 197 197 19763 1 . GLU 198 198 19763 1 . ALA 199 199 19763 1 . LEU 200 200 19763 1 . TYR 201 201 19763 1 . ASP 202 202 19763 1 . TYR 203 203 19763 1 . LEU 204 204 19763 1 . ILE 205 205 19763 1 . PRO 206 206 19763 1 . ILE 207 207 19763 1 . ILE 208 208 19763 1 . GLU 209 209 19763 1 . GLN 210 210 19763 1 . ARG 211 211 19763 1 . ARG 212 212 19763 1 . GLN 213 213 19763 1 . LYS 214 214 19763 1 . PRO 215 215 19763 1 . GLY 216 216 19763 1 . THR 217 217 19763 1 . ASP 218 218 19763 1 . ALA 219 219 19763 1 . ILE 220 220 19763 1 . SER 221 221 19763 1 . ILE 222 222 19763 1 . VAL 223 223 19763 1 . ALA 224 224 19763 1 . ASN 225 225 19763 1 . GLY 226 226 19763 1 . GLN 227 227 19763 1 . VAL 228 228 19763 1 . ASN 229 229 19763 1 . GLY 230 230 19763 1 . ARG 231 231 19763 1 . PRO 232 232 19763 1 . ILE 233 233 19763 1 . THR 234 234 19763 1 . SER 235 235 19763 1 . ASP 236 236 19763 1 . GLU 237 237 19763 1 . ALA 238 238 19763 1 . LYS 239 239 19763 1 . ARG 240 240 19763 1 . MET 241 241 19763 1 . CYS 242 242 19763 1 . GLY 243 243 19763 1 . LEU 244 244 19763 1 . LEU 245 245 19763 1 . LEU 246 246 19763 1 . VAL 247 247 19763 1 . GLY 248 248 19763 1 . GLY 249 249 19763 1 . LEU 250 250 19763 1 . ASP 251 251 19763 1 . THR 252 252 19763 1 . VAL 253 253 19763 1 . VAL 254 254 19763 1 . ASN 255 255 19763 1 . PHE 256 256 19763 1 . LEU 257 257 19763 1 . SER 258 258 19763 1 . PHE 259 259 19763 1 . SER 260 260 19763 1 . MET 261 261 19763 1 . GLU 262 262 19763 1 . PHE 263 263 19763 1 . LEU 264 264 19763 1 . ALA 265 265 19763 1 . LYS 266 266 19763 1 . SER 267 267 19763 1 . PRO 268 268 19763 1 . GLU 269 269 19763 1 . HIS 270 270 19763 1 . ARG 271 271 19763 1 . GLN 272 272 19763 1 . GLU 273 273 19763 1 . LEU 274 274 19763 1 . ILE 275 275 19763 1 . GLU 276 276 19763 1 . ARG 277 277 19763 1 . PRO 278 278 19763 1 . GLU 279 279 19763 1 . ARG 280 280 19763 1 . ILE 281 281 19763 1 . PRO 282 282 19763 1 . ALA 283 283 19763 1 . ALA 284 284 19763 1 . CYS 285 285 19763 1 . GLU 286 286 19763 1 . GLU 287 287 19763 1 . LEU 288 288 19763 1 . LEU 289 289 19763 1 . ARG 290 290 19763 1 . ARG 291 291 19763 1 . PHE 292 292 19763 1 . SER 293 293 19763 1 . LEU 294 294 19763 1 . VAL 295 295 19763 1 . ALA 296 296 19763 1 . ASP 297 297 19763 1 . GLY 298 298 19763 1 . ARG 299 299 19763 1 . ILE 300 300 19763 1 . LEU 301 301 19763 1 . THR 302 302 19763 1 . SER 303 303 19763 1 . ASP 304 304 19763 1 . TYR 305 305 19763 1 . GLU 306 306 19763 1 . PHE 307 307 19763 1 . HIS 308 308 19763 1 . GLY 309 309 19763 1 . VAL 310 310 19763 1 . GLN 311 311 19763 1 . LEU 312 312 19763 1 . LYS 313 313 19763 1 . LYS 314 314 19763 1 . GLY 315 315 19763 1 . ASP 316 316 19763 1 . GLN 317 317 19763 1 . ILE 318 318 19763 1 . LEU 319 319 19763 1 . LEU 320 320 19763 1 . PRO 321 321 19763 1 . GLN 322 322 19763 1 . MET 323 323 19763 1 . LEU 324 324 19763 1 . SER 325 325 19763 1 . GLY 326 326 19763 1 . LEU 327 327 19763 1 . ASP 328 328 19763 1 . GLU 329 329 19763 1 . ARG 330 330 19763 1 . GLU 331 331 19763 1 . ASN 332 332 19763 1 . ALA 333 333 19763 1 . ALA 334 334 19763 1 . PRO 335 335 19763 1 . MET 336 336 19763 1 . HIS 337 337 19763 1 . VAL 338 338 19763 1 . ASP 339 339 19763 1 . PHE 340 340 19763 1 . SER 341 341 19763 1 . ARG 342 342 19763 1 . GLN 343 343 19763 1 . LYS 344 344 19763 1 . VAL 345 345 19763 1 . SER 346 346 19763 1 . HIS 347 347 19763 1 . THR 348 348 19763 1 . THR 349 349 19763 1 . PHE 350 350 19763 1 . GLY 351 351 19763 1 . HIS 352 352 19763 1 . GLY 353 353 19763 1 . SER 354 354 19763 1 . HIS 355 355 19763 1 . LEU 356 356 19763 1 . CYS 357 357 19763 1 . LEU 358 358 19763 1 . GLY 359 359 19763 1 . GLN 360 360 19763 1 . HIS 361 361 19763 1 . LEU 362 362 19763 1 . ALA 363 363 19763 1 . ARG 364 364 19763 1 . ARG 365 365 19763 1 . GLU 366 366 19763 1 . ILE 367 367 19763 1 . ILE 368 368 19763 1 . VAL 369 369 19763 1 . THR 370 370 19763 1 . LEU 371 371 19763 1 . LYS 372 372 19763 1 . GLU 373 373 19763 1 . TRP 374 374 19763 1 . LEU 375 375 19763 1 . THR 376 376 19763 1 . ARG 377 377 19763 1 . ILE 378 378 19763 1 . PRO 379 379 19763 1 . ASP 380 380 19763 1 . PHE 381 381 19763 1 . SER 382 382 19763 1 . ILE 383 383 19763 1 . ALA 384 384 19763 1 . PRO 385 385 19763 1 . GLY 386 386 19763 1 . ALA 387 387 19763 1 . GLN 388 388 19763 1 . ILE 389 389 19763 1 . GLN 390 390 19763 1 . HIS 391 391 19763 1 . LYS 392 392 19763 1 . SER 393 393 19763 1 . GLY 394 394 19763 1 . ILE 395 395 19763 1 . VAL 396 396 19763 1 . SER 397 397 19763 1 . GLY 398 398 19763 1 . VAL 399 399 19763 1 . GLN 400 400 19763 1 . ALA 401 401 19763 1 . LEU 402 402 19763 1 . PRO 403 403 19763 1 . LEU 404 404 19763 1 . VAL 405 405 19763 1 . TRP 406 406 19763 1 . ASP 407 407 19763 1 . PRO 408 408 19763 1 . ALA 409 409 19763 1 . THR 410 410 19763 1 . THR 411 411 19763 1 . LYS 412 412 19763 1 . ALA 413 413 19763 1 . VAL 414 414 19763 1 stop_ save_ save_entity_K _Entity.Sf_category entity _Entity.Sf_framecode entity_K _Entity.Entry_ID 19763 _Entity.ID 2 _Entity.BMRB_code K _Entity.Name 'POTASSIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 39.098 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'POTASSIUM ION' BMRB 19763 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'POTASSIUM ION' BMRB 19763 2 K 'Three letter code' 19763 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 K $chem_comp_K 19763 2 stop_ save_ save_entity_CYN _Entity.Sf_category entity _Entity.Sf_framecode entity_CYN _Entity.Entry_ID 19763 _Entity.ID 3 _Entity.BMRB_code CYN _Entity.Name 'CYANIDE ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26.017 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CYANIDE ION' BMRB 19763 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CYANIDE ION' BMRB 19763 3 CYN 'Three letter code' 19763 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CYN $chem_comp_CYN 19763 3 stop_ save_ save_entity_HEM _Entity.Sf_category entity _Entity.Sf_framecode entity_HEM _Entity.Entry_ID 19763 _Entity.ID 4 _Entity.BMRB_code HEM _Entity.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 616.487 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PROTOPORPHYRIN IX CONTAINING FE' BMRB 19763 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PROTOPORPHYRIN IX CONTAINING FE' BMRB 19763 4 HEM 'Three letter code' 19763 4 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 HEM $chem_comp_HEM 19763 4 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 19763 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CYP101 . 303 organism . 'Pseudomonas putida' g-proteobacteria . . Bacteria . Pseudomonas putida . . . . . . . . . . . . . 19763 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 19763 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CYP101 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21 DE3' . . . . . pLysS . . 'pET28a Xho1/Nco1 restriction sites, Kanamycin resistance' 19763 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_K _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_K _Chem_comp.Entry_ID 19763 _Chem_comp.ID K _Chem_comp.Provenance PDB _Chem_comp.Name 'POTASSIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code K _Chem_comp.PDB_code K _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/K/q+1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula K _Chem_comp.Formula_weight 39.098 _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 . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/K/q+1 InChI InChI 1.03 19763 K NPYPAHLBTDXSSS-UHFFFAOYSA-N InChIKey InChI 1.03 19763 K [K+] SMILES ACDLabs 10.04 19763 K [K+] SMILES CACTVS 3.341 19763 K [K+] SMILES 'OpenEye OEToolkits' 1.5.0 19763 K [K+] SMILES_CANONICAL CACTVS 3.341 19763 K [K+] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19763 K 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 potassium 'SYSTEMATIC NAME' ACDLabs 10.04 19763 K 'potassium(+1) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19763 K 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 K K K K . K . . N 1 . . . 1 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19763 K stop_ save_ save_chem_comp_CYN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CYN _Chem_comp.Entry_ID 19763 _Chem_comp.ID CYN _Chem_comp.Provenance PDB _Chem_comp.Name 'CYANIDE ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CYN _Chem_comp.PDB_code CYN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces CN _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CYN _Chem_comp.Number_atoms_all 2 _Chem_comp.Number_atoms_nh 2 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/CN/c1-2/q-1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge -1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C N' _Chem_comp.Formula_weight 26.017 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1B0B _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/CN/c1-2/q-1 InChI InChI 1.03 19763 CYN XFXPMWWXUTWYJX-UHFFFAOYSA-N InChIKey InChI 1.03 19763 CYN [C-]#N SMILES ACDLabs 10.04 19763 CYN [C-]#N SMILES CACTVS 3.341 19763 CYN [C-]#N SMILES 'OpenEye OEToolkits' 1.5.0 19763 CYN [C-]#N SMILES_CANONICAL CACTVS 3.341 19763 CYN [C-]#N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19763 CYN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID cyanide 'SYSTEMATIC NAME' ACDLabs 10.04 19763 CYN cyanide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19763 CYN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N -1 . . . 1 no no . . . . 6.708 . -5.042 . 17.519 . 0.000 0.000 -0.611 1 . 19763 CYN N N N N . N . . N 0 . . . 1 no no . . . . 6.693 . -5.522 . 16.471 . 0.000 0.000 0.524 2 . 19763 CYN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . TRIP C N no N 1 . 19763 CYN stop_ save_ save_chem_comp_HEM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HEM _Chem_comp.Entry_ID 19763 _Chem_comp.ID HEM _Chem_comp.Provenance PDB _Chem_comp.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HEM _Chem_comp.PDB_code HEM _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MHM _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HEM _Chem_comp.Number_atoms_all 75 _Chem_comp.Number_atoms_nh 43 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms HEME _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H32 Fe N4 O4' _Chem_comp.Formula_weight 616.487 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code 3IA3 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 19763 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 19763 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 19763 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 19763 HEM FEDYMSUPMFCVOD-UJJXFSCMSA-N InChIKey InChI 1.02 19763 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 19763 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 19763 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 19763 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 19763 HEM stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CHA CHA CHA CHA . C . . N 0 . . . 1 yes no . . . . 2.748 . -19.531 . 39.896 . -2.161 -0.125 0.490 1 . 19763 HEM CHB CHB CHB CHB . C . . N 0 . . . 1 yes no . . . . 3.258 . -17.744 . 35.477 . 1.458 -3.419 0.306 2 . 19763 HEM CHC CHC CHC CHC . C . . N 0 . . . 1 yes no . . . . 1.703 . -21.900 . 33.637 . 4.701 0.169 -0.069 3 . 19763 HEM CHD CHD CHD CHD . C . . N 0 . . . 1 yes no . . . . 1.149 . -23.677 . 38.059 . 1.075 3.460 0.018 4 . 19763 HEM C1A C1A C1A C1A . C . . N 0 . . . 1 yes no . . . . 3.031 . -18.673 . 38.872 . -1.436 -1.305 0.380 5 . 19763 HEM C2A C2A C2A C2A . C . . N 0 . . . 1 yes no . . . . 3.578 . -17.325 . 39.013 . -2.015 -2.587 0.320 6 . 19763 HEM C3A C3A C3A C3A . C . . N 0 . . . 1 yes no . . . . 3.705 . -16.820 . 37.785 . -1.009 -3.500 0.270 7 . 19763 HEM C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 3.256 . -17.863 . 36.862 . 0.216 -2.803 0.298 8 . 19763 HEM CMA CMA CMA CMA . C . . N 0 . . . 1 no no . . . . 4.227 . -15.469 . 37.393 . -1.175 -4.996 0.197 9 . 19763 HEM CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . 3.945 . -16.670 . 40.296 . -3.490 -2.893 0.314 10 . 19763 HEM CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . 5.391 . -17.138 . 40.581 . -3.998 -2.926 -1.129 11 . 19763 HEM CGA CGA CGA CGA . C . . N 0 . . . 1 no no . . . . 6.095 . -16.663 . 41.825 . -5.473 -3.232 -1.136 12 . 19763 HEM O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 7.098 . -15.928 . 41.683 . -6.059 -3.405 -0.094 13 . 19763 HEM O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 5.657 . -17.040 . 42.940 . -6.137 -3.311 -2.300 14 . 19763 HEM C1B C1B C1B C1B . C . . N 0 . . . 1 yes no . . . . 2.888 . -18.698 . 34.579 . 2.664 -2.707 0.308 15 . 19763 HEM C2B C2B C2B C2B . C . . N 0 . . . 1 yes no . . . . 2.933 . -18.535 . 33.146 . 3.937 -3.328 0.418 16 . 19763 HEM C3B C3B C3B C3B . C . . N 0 . . . 1 yes no . . . . 2.499 . -19.716 . 32.632 . 4.874 -2.341 0.314 17 . 19763 HEM C4B C4B C4B C4B . C . . N 0 . . . 1 yes no . . . . 2.187 . -20.580 . 33.743 . 4.117 -1.079 0.139 18 . 19763 HEM CMB CMB CMB CMB . C . . N 0 . . . 1 no no . . . . 3.391 . -17.290 . 32.422 . 4.203 -4.798 0.613 19 . 19763 HEM CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 2.345 . -20.140 . 31.217 . 6.339 -2.497 0.365 20 . 19763 HEM CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . 1.755 . -19.492 . 30.233 . 6.935 -3.419 -0.385 21 . 19763 HEM C1C C1C C1C C1C . C . . N 0 . . . 1 yes no . . . . 1.395 . -22.786 . 34.659 . 3.964 1.345 -0.174 22 . 19763 HEM C2C C2C C2C C2C . C . . N 0 . . . 1 yes no . . . . 0.854 . -24.130 . 34.500 . 4.531 2.601 -0.445 23 . 19763 HEM C3C C3C C3C C3C . C . . N 0 . . . 1 yes no . . . . 0.689 . -24.626 . 35.757 . 3.510 3.536 -0.437 24 . 19763 HEM C4C C4C C4C C4C . C . . N 0 . . . 1 yes no . . . . 1.139 . -23.583 . 36.674 . 2.304 2.846 -0.139 25 . 19763 HEM CMC CMC CMC CMC . C . . N 0 . . . 1 no no . . . . 0.550 . -24.782 . 33.175 . 5.991 2.880 -0.697 26 . 19763 HEM CAC CAC CAC CAC . C . . N 0 . . . 1 no no . . . . 0.164 . -25.943 . 36.196 . 3.649 4.981 -0.692 27 . 19763 HEM CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 0.498 . -27.158 . 35.750 . 4.201 5.407 -1.823 28 . 19763 HEM C1D C1D C1D C1D . C . . N 0 . . . 1 yes no . . . . 1.550 . -22.718 . 38.980 . -0.102 2.753 0.298 29 . 19763 HEM C2D C2D C2D C2D . C . . N 0 . . . 1 yes no . . . . 1.513 . -22.879 . 40.415 . -1.382 3.388 0.641 30 . 19763 HEM C3D C3D C3D C3D . C . . N 0 . . . 1 yes no . . . . 1.951 . -21.691 . 40.929 . -2.283 2.389 0.774 31 . 19763 HEM C4D C4D C4D C4D . C . . N 0 . . . 1 yes no . . . . 2.277 . -20.826 . 39.811 . -1.561 1.137 0.511 32 . 19763 HEM CMD CMD CMD CMD . C . . N 0 . . . 1 no no . . . . 1.055 . -24.094 . 41.156 . -1.639 4.863 0.811 33 . 19763 HEM CAD CAD CAD CAD . C . . N 0 . . . 1 no no . . . . 2.048 . -21.326 . 42.352 . -3.741 2.532 1.123 34 . 19763 HEM CBD CBD CBD CBD . C . . N 0 . . . 1 no no . . . . 0.741 . -20.498 . 42.530 . -4.573 2.563 -0.160 35 . 19763 HEM CGD CGD CGD CGD . C . . N 0 . . . 1 no no . . . . 0.578 . -19.987 . 43.892 . -6.032 2.706 0.189 36 . 19763 HEM O1D O1D O1D O1D . O . . N 0 . . . 1 no no . . . . 1.387 . -19.103 . 44.303 . -6.372 2.776 1.347 37 . 19763 HEM O2D O2D O2D O2D . O . . N 0 . . . 1 no no . . . . -0.401 . -20.468 . 44.537 . -6.954 2.755 -0.785 38 . 19763 HEM NA NA NA NA . N . . N 0 . . . 1 yes no . . . . 2.863 . -18.969 . 37.554 . -0.068 -1.456 0.321 39 . 19763 HEM NB NB NB NB . N . . N 0 . . . 1 yes no . . . . 2.439 . -19.944 . 34.911 . 2.820 -1.386 0.207 40 . 19763 HEM NC NC NC NC . N . . N 0 . . . 1 yes no . . . . 1.537 . -22.509 . 35.976 . 2.604 1.506 -0.033 41 . 19763 HEM ND ND ND ND . N . . N 0 . . . 1 yes no . . . . 2.008 . -21.465 . 38.663 . -0.276 1.431 0.298 42 . 19763 HEM FE FE FE FE . FE . . S 0 . . . 0 no no . . . . 2.196 . -20.749 . 36.814 . 1.010 0.157 -0.060 43 . 19763 HEM HHB HHB HHB HHB . H . . N 0 . . . 1 no no . . . . 3.587 . -16.798 . 35.072 . 1.498 -4.508 0.309 44 . 19763 HEM HHC HHC HHC HHC . H . . N 0 . . . 1 no no . . . . 1.553 . -22.268 . 32.633 . 5.786 0.229 -0.153 45 . 19763 HEM HHD HHD HHD HHD . H . . N 0 . . . 1 no no . . . . 0.802 . -24.613 . 38.472 . 1.018 4.543 -0.083 46 . 19763 HEM HMA HMA HMA HMA . H . . N 0 . . . 1 no no . . . . 5.316 . -15.524 . 37.249 . -1.220 -5.306 -0.847 47 . 19763 HEM HMAA HMAA HMAA HMAA . H . . N 0 . . . 0 no no . . . . 3.749 . -15.149 . 36.455 . -0.328 -5.480 0.683 48 . 19763 HEM HMAB HMAB HMAB HMAB . H . . N 0 . . . 0 no no . . . . 3.998 . -14.743 . 38.187 . -2.097 -5.285 0.702 49 . 19763 HEM HAA HAA HAA HAA . H . . N 0 . . . 1 no no . . . . 3.894 . -15.575 . 40.209 . -3.662 -3.862 0.782 50 . 19763 HEM HAAA HAAA HAAA HAAA . H . . N 0 . . . 0 no no . . . . 3.264 . -16.976 . 41.104 . -4.024 -2.121 0.869 51 . 19763 HEM HBA HBA HBA HBA . H . . N 0 . . . 1 no no . . . . 5.351 . -18.235 . 40.650 . -3.825 -1.956 -1.597 52 . 19763 HEM HBAA HBAA HBAA HBAA . H . . N 0 . . . 0 no no . . . . 5.999 . -16.792 . 39.732 . -3.464 -3.697 -1.684 53 . 19763 HEM HMB HMB HMB HMB . H . . N 0 . . . 1 no no . . . . 3.319 . -17.449 . 31.336 . 3.256 -5.336 0.660 54 . 19763 HEM HMBA HMBA HMBA HMBA . H . . N 0 . . . 0 no no . . . . 2.753 . -16.442 . 32.711 . 4.794 -5.175 -0.222 55 . 19763 HEM HMBB HMBB HMBB HMBB . H . . N 0 . . . 0 no no . . . . 4.435 . -17.072 . 32.692 . 4.752 -4.948 1.543 56 . 19763 HEM HAB HAB HAB HAB . H . . N 0 . . . 1 no no . . . . 2.770 . -21.100 . 30.963 . 6.927 -1.863 1.011 57 . 19763 HEM HBB HBB HBB HBB . H . . N 0 . . . 1 no no . . . . 1.719 . -19.927 . 29.245 . 7.994 -3.600 -0.277 58 . 19763 HEM HBBA HBBA HBBA HBBA . H . . N 0 . . . 0 no no . . . . 1.308 . -18.526 . 30.414 . 6.360 -3.987 -1.102 59 . 19763 HEM HMC HMC HMC HMC . H . . N 0 . . . 1 no no . . . . 1.438 . -25.328 . 32.822 . 6.554 1.949 -0.639 60 . 19763 HEM HMCA HMCA HMCA HMCA . H . . N 0 . . . 0 no no . . . . -0.288 . -25.484 . 33.296 . 6.110 3.316 -1.689 61 . 19763 HEM HMCB HMCB HMCB HMCB . H . . N 0 . . . 0 no no . . . . 0.278 . -24.010 . 32.440 . 6.362 3.578 0.053 62 . 19763 HEM HAC HAC HAC HAC . H . . N 0 . . . 1 no no . . . . -0.583 . -25.916 . 36.975 . 3.303 5.694 0.042 63 . 19763 HEM HBC HBC HBC HBC . H . . N 0 . . . 1 no no . . . . 0.027 . -28.035 . 36.169 . 4.614 4.696 -2.523 64 . 19763 HEM HBCA HBCA HBCA HBCA . H . . N 0 . . . 0 no no . . . . 1.239 . -27.263 . 34.971 . 4.235 6.464 -2.043 65 . 19763 HEM HMD HMD HMD HMD . H . . N 0 . . . 1 no no . . . . 1.142 . -23.919 . 42.238 . -0.715 5.415 0.639 66 . 19763 HEM HMDA HMDA HMDA HMDA . H . . N 0 . . . 0 no no . . . . 0.006 . -24.304 . 40.902 . -2.394 5.185 0.094 67 . 19763 HEM HMDB HMDB HMDB HMDB . H . . N 0 . . . 0 no no . . . . 1.680 . -24.954 . 40.872 . -1.994 5.055 1.824 68 . 19763 HEM HAD HAD HAD HAD . H . . N 0 . . . 1 no no . . . . 2.081 . -22.206 . 43.011 . -4.052 1.687 1.738 69 . 19763 HEM HADA HADA HADA HADA . H . . N 0 . . . 0 no no . . . . 2.951 . -20.739 . 42.575 . -3.893 3.459 1.677 70 . 19763 HEM HBD HBD HBD HBD . H . . N 0 . . . 1 no no . . . . 0.775 . -19.642 . 41.839 . -4.262 3.408 -0.775 71 . 19763 HEM HBDA HBDA HBDA HBDA . H . . N 0 . . . 0 no no . . . . -0.116 . -21.147 . 42.297 . -4.421 1.636 -0.714 72 . 19763 HEM H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 6.201 . -16.682 . 43.632 . -7.082 -3.510 -2.254 73 . 19763 HEM H2D H2D H2D H2D . H . . N 0 . . . 1 no no . . . . -0.445 . -20.063 . 45.395 . -7.877 2.847 -0.512 74 . 19763 HEM HHA HHA HHA HHA . H . . N 0 . . . 1 no no . . . . 2.913 . -19.150 . 40.893 . -3.246 -0.188 0.567 75 . 19763 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 . 19763 HEM 2 . DOUB CHA C4D yes N 2 . 19763 HEM 3 . SING CHA HHA no N 3 . 19763 HEM 4 . SING CHB C4A yes N 4 . 19763 HEM 5 . DOUB CHB C1B yes N 5 . 19763 HEM 6 . SING CHB HHB no N 6 . 19763 HEM 7 . SING CHC C4B yes N 7 . 19763 HEM 8 . DOUB CHC C1C yes N 8 . 19763 HEM 9 . SING CHC HHC no N 9 . 19763 HEM 10 . DOUB CHD C4C yes N 10 . 19763 HEM 11 . SING CHD C1D yes N 11 . 19763 HEM 12 . SING CHD HHD no N 12 . 19763 HEM 13 . DOUB C1A C2A yes N 13 . 19763 HEM 14 . SING C1A NA yes N 14 . 19763 HEM 15 . SING C2A C3A yes N 15 . 19763 HEM 16 . SING C2A CAA no N 16 . 19763 HEM 17 . DOUB C3A C4A yes N 17 . 19763 HEM 18 . SING C3A CMA no N 18 . 19763 HEM 19 . SING C4A NA yes N 19 . 19763 HEM 20 . SING CMA HMA no N 20 . 19763 HEM 21 . SING CMA HMAA no N 21 . 19763 HEM 22 . SING CMA HMAB no N 22 . 19763 HEM 23 . SING CAA CBA no N 23 . 19763 HEM 24 . SING CAA HAA no N 24 . 19763 HEM 25 . SING CAA HAAA no N 25 . 19763 HEM 26 . SING CBA CGA no N 26 . 19763 HEM 27 . SING CBA HBA no N 27 . 19763 HEM 28 . SING CBA HBAA no N 28 . 19763 HEM 29 . DOUB CGA O1A no N 29 . 19763 HEM 30 . SING CGA O2A no N 30 . 19763 HEM 31 . SING C1B C2B no N 31 . 19763 HEM 32 . SING C1B NB yes N 32 . 19763 HEM 33 . DOUB C2B C3B yes N 33 . 19763 HEM 34 . SING C2B CMB yes N 34 . 19763 HEM 35 . SING C3B C4B no N 35 . 19763 HEM 36 . SING C3B CAB yes N 36 . 19763 HEM 37 . DOUB C4B NB no N 37 . 19763 HEM 38 . SING CMB HMB yes N 38 . 19763 HEM 39 . SING CMB HMBA no N 39 . 19763 HEM 40 . SING CMB HMBB no N 40 . 19763 HEM 41 . DOUB CAB CBB no N 41 . 19763 HEM 42 . SING CAB HAB no N 42 . 19763 HEM 43 . SING CBB HBB no N 43 . 19763 HEM 44 . SING CBB HBBA no N 44 . 19763 HEM 45 . SING C1C C2C no N 45 . 19763 HEM 46 . SING C1C NC yes N 46 . 19763 HEM 47 . DOUB C2C C3C yes N 47 . 19763 HEM 48 . SING C2C CMC yes N 48 . 19763 HEM 49 . SING C3C C4C no N 49 . 19763 HEM 50 . SING C3C CAC yes N 50 . 19763 HEM 51 . SING C4C NC no N 51 . 19763 HEM 52 . SING CMC HMC yes N 52 . 19763 HEM 53 . SING CMC HMCA no N 53 . 19763 HEM 54 . SING CMC HMCB no N 54 . 19763 HEM 55 . DOUB CAC CBC no N 55 . 19763 HEM 56 . SING CAC HAC no N 56 . 19763 HEM 57 . SING CBC HBC no N 57 . 19763 HEM 58 . SING CBC HBCA no N 58 . 19763 HEM 59 . SING C1D C2D no N 59 . 19763 HEM 60 . DOUB C1D ND yes N 60 . 19763 HEM 61 . DOUB C2D C3D yes N 61 . 19763 HEM 62 . SING C2D CMD yes N 62 . 19763 HEM 63 . SING C3D C4D no N 63 . 19763 HEM 64 . SING C3D CAD yes N 64 . 19763 HEM 65 . SING C4D ND no N 65 . 19763 HEM 66 . SING CMD HMD yes N 66 . 19763 HEM 67 . SING CMD HMDA no N 67 . 19763 HEM 68 . SING CMD HMDB no N 68 . 19763 HEM 69 . SING CAD CBD no N 69 . 19763 HEM 70 . SING CAD HAD no N 70 . 19763 HEM 71 . SING CAD HADA no N 71 . 19763 HEM 72 . SING CBD CGD no N 72 . 19763 HEM 73 . SING CBD HBD no N 73 . 19763 HEM 74 . SING CBD HBDA no N 74 . 19763 HEM 75 . DOUB CGD O1D no N 75 . 19763 HEM 76 . SING CGD O2D no N 76 . 19763 HEM 77 . SING O2A H2A no N 77 . 19763 HEM 78 . SING O2D H2D no N 78 . 19763 HEM 79 . SING FE NA no N 79 . 19763 HEM 80 . SING FE NB no N 80 . 19763 HEM 81 . SING FE NC no N 81 . 19763 HEM 82 . SING FE ND no N 82 . 19763 HEM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_p450camCN _Sample.Sf_category sample _Sample.Sf_framecode p450camCN _Sample.Entry_ID 19763 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 CYP101 '[U-15N; U-2H]' . . 1 $CYP101 . . 0.34 . . mM . . . . 19763 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 19763 1 3 'potassium cyanide' 'natural abundance' . . 3 $entity_CYN . . 100 . . mM . . . . 19763 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19763 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19763 1 stop_ save_ ####################### # Sample conditions # ####################### save_p450camcn_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode p450camcn_conditions _Sample_condition_list.Entry_ID 19763 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'buffer; 20 mM HEPES, pH=7.4, 100 mM KCN, 6 % D2O' 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' 100.000 . mM 19763 1 pH 7.400 . pH 19763 1 pressure 1.000 . atm 19763 1 temperature 298.000 . K 19763 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19763 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.1 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19763 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 19763 1 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 19763 _Software.ID 2 _Software.Name Topspin _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 19763 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data acquisition' 19763 2 'Spectrum processing' 19763 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19763 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19763 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19763 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19763 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19763 _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 III' . 600 . . . 19763 1 stop_ save_ save_tcizgrad _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode tcizgrad _NMR_spectrometer_probe.Entry_ID 19763 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model 'TCI-Z-GRAD cryoprobe' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 19763 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 19763 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY HSQC/HMQC' no . . . . . . . . . . 1 $p450camCN isotropic . . 1 $p450camcn_conditions . . . 1 $spectrometer_1 1 $tcizgrad . . . . . . . . . . . . . . 19763 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 19763 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 4.7547 internal direct 1.000000000 . . . . . . . . . 19763 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 19763 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19763 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $p450camcn_conditions _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY HSQC/HMQC' . . . 19763 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 19763 1 2 $Topspin . . 19763 1 3 $NMRPipe . . 19763 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLU H H 1 8.364 0.005 . 1 . . . . 3 GLU HN . 19763 1 2 . 1 1 3 3 GLU N N 15 124.175 0.050 . 1 . . . . 3 GLU N . 19763 1 3 . 1 1 4 4 THR H H 1 8.136 0.005 . 1 . . . . 4 THR HN . 19763 1 4 . 1 1 4 4 THR N N 15 117.023 0.050 . 1 . . . . 4 THR N . 19763 1 5 . 1 1 5 5 ILE H H 1 8.097 0.005 . 1 . . . . 5 ILE HN . 19763 1 6 . 1 1 5 5 ILE N N 15 124.642 0.050 . 1 . . . . 5 ILE N . 19763 1 7 . 1 1 7 7 SER H H 1 8.256 0.005 . 1 . . . . 7 SER HN . 19763 1 8 . 1 1 7 7 SER N N 15 118.149 0.050 . 1 . . . . 7 SER N . 19763 1 9 . 1 1 11 11 LEU H H 1 10.181 0.005 . 1 . . . . 11 LEU HN . 19763 1 10 . 1 1 11 11 LEU N N 15 125.575 0.050 . 1 . . . . 11 LEU N . 19763 1 11 . 1 1 12 12 ALA H H 1 7.542 0.005 . 1 . . . . 12 ALA HN . 19763 1 12 . 1 1 12 12 ALA N N 15 128.380 0.050 . 1 . . . . 12 ALA N . 19763 1 13 . 1 1 17 17 HIS H H 1 7.534 0.005 . 1 . . . . 17 HIS HN . 19763 1 14 . 1 1 17 17 HIS N N 15 111.550 0.050 . 1 . . . . 17 HIS N . 19763 1 15 . 1 1 18 18 VAL H H 1 6.742 0.005 . 1 . . . . 18 VAL HN . 19763 1 16 . 1 1 18 18 VAL N N 15 127.549 0.050 . 1 . . . . 18 VAL N . 19763 1 17 . 1 1 20 20 GLU H H 1 8.553 0.005 . 1 . . . . 20 GLU HN . 19763 1 18 . 1 1 20 20 GLU N N 15 121.207 0.050 . 1 . . . . 20 GLU N . 19763 1 19 . 1 1 21 21 HIS H H 1 7.772 0.005 . 1 . . . . 21 HIS HN . 19763 1 20 . 1 1 21 21 HIS N N 15 113.949 0.050 . 1 . . . . 21 HIS N . 19763 1 21 . 1 1 22 22 LEU H H 1 7.078 0.005 . 1 . . . . 22 LEU HN . 19763 1 22 . 1 1 22 22 LEU N N 15 119.498 0.050 . 1 . . . . 22 LEU N . 19763 1 23 . 1 1 23 23 VAL H H 1 7.002 0.005 . 1 . . . . 23 VAL HN . 19763 1 24 . 1 1 23 23 VAL N N 15 120.601 0.050 . 1 . . . . 23 VAL N . 19763 1 25 . 1 1 24 24 PHE H H 1 9.107 0.005 . 1 . . . . 24 PHE HN . 19763 1 26 . 1 1 24 24 PHE N N 15 133.541 0.050 . 1 . . . . 24 PHE N . 19763 1 27 . 1 1 25 25 ASP H H 1 8.057 0.005 . 1 . . . . 25 ASP HN . 19763 1 28 . 1 1 25 25 ASP N N 15 126.257 0.050 . 1 . . . . 25 ASP N . 19763 1 29 . 1 1 26 26 PHE H H 1 8.190 0.005 . 1 . . . . 26 PHE HN . 19763 1 30 . 1 1 26 26 PHE N N 15 125.058 0.050 . 1 . . . . 26 PHE N . 19763 1 31 . 1 1 27 27 ASP H H 1 8.029 0.005 . 1 . . . . 27 ASP HN . 19763 1 32 . 1 1 27 27 ASP N N 15 133.091 0.050 . 1 . . . . 27 ASP N . 19763 1 33 . 1 1 30 30 ASN H H 1 6.725 0.005 . 1 . . . . 30 ASN HN . 19763 1 34 . 1 1 30 30 ASN N N 15 116.450 0.050 . 1 . . . . 30 ASN N . 19763 1 35 . 1 1 32 32 SER H H 1 7.809 0.005 . 1 . . . . 32 SER HN . 19763 1 36 . 1 1 32 32 SER N N 15 118.315 0.050 . 1 . . . . 32 SER N . 19763 1 37 . 1 1 34 34 LEU H H 1 7.148 0.005 . 1 . . . . 34 LEU HN . 19763 1 38 . 1 1 34 34 LEU N N 15 120.000 0.050 . 1 . . . . 34 LEU N . 19763 1 39 . 1 1 35 35 SER H H 1 8.529 0.005 . 1 . . . . 35 SER HN . 19763 1 40 . 1 1 35 35 SER N N 15 114.697 0.050 . 1 . . . . 35 SER N . 19763 1 41 . 1 1 36 36 ALA H H 1 7.697 0.005 . 1 . . . . 36 ALA HN . 19763 1 42 . 1 1 36 36 ALA N N 15 124.547 0.050 . 1 . . . . 36 ALA N . 19763 1 43 . 1 1 37 37 GLY H H 1 7.309 0.005 . 1 . . . . 37 GLY HN . 19763 1 44 . 1 1 37 37 GLY N N 15 109.831 0.050 . 1 . . . . 37 GLY N . 19763 1 45 . 1 1 39 39 GLN H H 1 7.457 0.005 . 1 . . . . 39 GLN HN . 19763 1 46 . 1 1 39 39 GLN N N 15 122.506 0.050 . 1 . . . . 39 GLN N . 19763 1 47 . 1 1 40 40 GLU H H 1 9.650 0.005 . 1 . . . . 40 GLU HN . 19763 1 48 . 1 1 40 40 GLU N N 15 120.741 0.050 . 1 . . . . 40 GLU N . 19763 1 49 . 1 1 44 44 VAL H H 1 6.957 0.005 . 1 . . . . 44 VAL HN . 19763 1 50 . 1 1 44 44 VAL N N 15 119.821 0.050 . 1 . . . . 44 VAL N . 19763 1 51 . 1 1 46 46 GLN H H 1 7.312 0.005 . 1 . . . . 46 GLN HN . 19763 1 52 . 1 1 46 46 GLN N N 15 112.084 0.050 . 1 . . . . 46 GLN N . 19763 1 53 . 1 1 47 47 GLU H H 1 6.627 0.005 . 1 . . . . 47 GLU HN . 19763 1 54 . 1 1 47 47 GLU N N 15 121.023 0.050 . 1 . . . . 47 GLU N . 19763 1 55 . 1 1 48 48 SER H H 1 8.485 0.005 . 1 . . . . 48 SER HN . 19763 1 56 . 1 1 48 48 SER N N 15 115.739 0.050 . 1 . . . . 48 SER N . 19763 1 57 . 1 1 50 50 VAL H H 1 7.602 0.005 . 1 . . . . 50 VAL HN . 19763 1 58 . 1 1 50 50 VAL N N 15 126.059 0.050 . 1 . . . . 50 VAL N . 19763 1 59 . 1 1 55 55 TRP H H 1 8.803 0.005 . 1 . . . . 55 TRP HN . 19763 1 60 . 1 1 55 55 TRP N N 15 122.922 0.050 . 1 . . . . 55 TRP N . 19763 1 61 . 1 1 56 56 THR H H 1 7.794 0.005 . 1 . . . . 56 THR HN . 19763 1 62 . 1 1 56 56 THR N N 15 120.092 0.050 . 1 . . . . 56 THR N . 19763 1 63 . 1 1 57 57 ARG H H 1 7.863 0.005 . 1 . . . . 57 ARG HN . 19763 1 64 . 1 1 57 57 ARG N N 15 122.635 0.050 . 1 . . . . 57 ARG N . 19763 1 65 . 1 1 59 59 ASN H H 1 9.275 0.005 . 1 . . . . 59 ASN HN . 19763 1 66 . 1 1 59 59 ASN N N 15 115.078 0.050 . 1 . . . . 59 ASN N . 19763 1 67 . 1 1 60 60 GLY H H 1 8.813 0.005 . 1 . . . . 60 GLY HN . 19763 1 68 . 1 1 60 60 GLY N N 15 104.046 0.050 . 1 . . . . 60 GLY N . 19763 1 69 . 1 1 61 61 GLY H H 1 7.405 0.005 . 1 . . . . 61 GLY HN . 19763 1 70 . 1 1 61 61 GLY N N 15 112.158 0.050 . 1 . . . . 61 GLY N . 19763 1 71 . 1 1 62 62 HIS H H 1 7.033 0.005 . 1 . . . . 62 HIS HN . 19763 1 72 . 1 1 62 62 HIS N N 15 121.871 0.050 . 1 . . . . 62 HIS N . 19763 1 73 . 1 1 63 63 TRP H H 1 8.212 0.005 . 1 . . . . 63 TRP HN . 19763 1 74 . 1 1 63 63 TRP N N 15 118.404 0.050 . 1 . . . . 63 TRP N . 19763 1 75 . 1 1 67 67 ARG H H 1 6.143 0.005 . 1 . . . . 67 ARG HN . 19763 1 76 . 1 1 67 67 ARG N N 15 114.596 0.050 . 1 . . . . 67 ARG N . 19763 1 77 . 1 1 68 68 GLY H H 1 10.063 0.005 . 1 . . . . 68 GLY HN . 19763 1 78 . 1 1 68 68 GLY N N 15 111.911 0.050 . 1 . . . . 68 GLY N . 19763 1 79 . 1 1 70 70 LEU H H 1 6.131 0.005 . 1 . . . . 70 LEU HN . 19763 1 80 . 1 1 70 70 LEU N N 15 116.793 0.050 . 1 . . . . 70 LEU N . 19763 1 81 . 1 1 74 74 ALA H H 1 7.994 0.005 . 1 . . . . 74 ALA HN . 19763 1 82 . 1 1 74 74 ALA N N 15 120.976 0.050 . 1 . . . . 74 ALA N . 19763 1 83 . 1 1 76 76 GLU H H 1 7.662 0.005 . 1 . . . . 76 GLU HN . 19763 1 84 . 1 1 76 76 GLU N N 15 116.575 0.050 . 1 . . . . 76 GLU N . 19763 1 85 . 1 1 77 77 ASP H H 1 7.423 0.005 . 1 . . . . 77 ASP HN . 19763 1 86 . 1 1 77 77 ASP N N 15 119.857 0.050 . 1 . . . . 77 ASP N . 19763 1 87 . 1 1 78 78 TYR H H 1 7.236 0.005 . 1 . . . . 78 TYR HN . 19763 1 88 . 1 1 78 78 TYR N N 15 121.738 0.050 . 1 . . . . 78 TYR N . 19763 1 89 . 1 1 79 79 ARG H H 1 7.118 0.005 . 1 . . . . 79 ARG HN . 19763 1 90 . 1 1 79 79 ARG N N 15 121.338 0.050 . 1 . . . . 79 ARG N . 19763 1 91 . 1 1 80 80 HIS H H 1 6.681 0.005 . 1 . . . . 80 HIS HN . 19763 1 92 . 1 1 80 80 HIS N N 15 112.980 0.050 . 1 . . . . 80 HIS N . 19763 1 93 . 1 1 83 83 SER H H 1 9.602 0.005 . 1 . . . . 83 SER HN . 19763 1 94 . 1 1 83 83 SER N N 15 126.667 0.050 . 1 . . . . 83 SER N . 19763 1 95 . 1 1 84 84 GLU H H 1 7.973 0.005 . 1 . . . . 84 GLU HN . 19763 1 96 . 1 1 84 84 GLU N N 15 119.272 0.050 . 1 . . . . 84 GLU N . 19763 1 97 . 1 1 90 90 ARG H H 1 9.372 0.005 . 1 . . . . 90 ARG HN . 19763 1 98 . 1 1 90 90 ARG N N 15 124.316 0.050 . 1 . . . . 90 ARG N . 19763 1 99 . 1 1 91 91 GLU H H 1 9.373 0.005 . 1 . . . . 91 GLU HN . 19763 1 100 . 1 1 91 91 GLU N N 15 115.837 0.050 . 1 . . . . 91 GLU N . 19763 1 101 . 1 1 92 92 ALA H H 1 7.301 0.005 . 1 . . . . 92 ALA HN . 19763 1 102 . 1 1 92 92 ALA N N 15 123.681 0.050 . 1 . . . . 92 ALA N . 19763 1 103 . 1 1 93 93 GLY H H 1 7.386 0.005 . 1 . . . . 93 GLY HN . 19763 1 104 . 1 1 93 93 GLY N N 15 104.491 0.050 . 1 . . . . 93 GLY N . 19763 1 105 . 1 1 94 94 GLU H H 1 8.985 0.005 . 1 . . . . 94 GLU HN . 19763 1 106 . 1 1 94 94 GLU N N 15 120.747 0.050 . 1 . . . . 94 GLU N . 19763 1 107 . 1 1 95 95 ALA H H 1 6.934 0.005 . 1 . . . . 95 ALA HN . 19763 1 108 . 1 1 95 95 ALA N N 15 120.474 0.050 . 1 . . . . 95 ALA N . 19763 1 109 . 1 1 96 96 TYR H H 1 8.286 0.005 . 1 . . . . 96 TYR HN . 19763 1 110 . 1 1 96 96 TYR N N 15 117.590 0.050 . 1 . . . . 96 TYR N . 19763 1 111 . 1 1 97 97 ASP H H 1 7.694 0.005 . 1 . . . . 97 ASP HN . 19763 1 112 . 1 1 97 97 ASP N N 15 122.153 0.050 . 1 . . . . 97 ASP N . 19763 1 113 . 1 1 98 98 PHE H H 1 8.663 0.005 . 1 . . . . 98 PHE HN . 19763 1 114 . 1 1 98 98 PHE N N 15 130.182 0.050 . 1 . . . . 98 PHE N . 19763 1 115 . 1 1 101 101 THR H H 1 7.151 0.005 . 1 . . . . 101 THR HN . 19763 1 116 . 1 1 101 101 THR N N 15 115.710 0.050 . 1 . . . . 101 THR N . 19763 1 117 . 1 1 102 102 SER H H 1 7.964 0.005 . 1 . . . . 102 SER HN . 19763 1 118 . 1 1 102 102 SER N N 15 111.221 0.050 . 1 . . . . 102 SER N . 19763 1 119 . 1 1 107 107 GLU H H 1 8.917 0.005 . 1 . . . . 107 GLU HN . 19763 1 120 . 1 1 107 107 GLU N N 15 117.212 0.050 . 1 . . . . 107 GLU N . 19763 1 121 . 1 1 111 111 PHE H H 1 6.916 0.005 . 1 . . . . 111 PHE HN . 19763 1 122 . 1 1 111 111 PHE N N 15 118.179 0.050 . 1 . . . . 111 PHE N . 19763 1 123 . 1 1 114 114 LEU H H 1 6.860 0.005 . 1 . . . . 114 LEU HN . 19763 1 124 . 1 1 114 114 LEU N N 15 120.083 0.050 . 1 . . . . 114 LEU N . 19763 1 125 . 1 1 115 115 ALA H H 1 7.844 0.005 . 1 . . . . 115 ALA HN . 19763 1 126 . 1 1 115 115 ALA N N 15 120.105 0.050 . 1 . . . . 115 ALA N . 19763 1 127 . 1 1 117 117 GLN H H 1 7.487 0.005 . 1 . . . . 117 GLN HN . 19763 1 128 . 1 1 117 117 GLN N N 15 116.406 0.050 . 1 . . . . 117 GLN N . 19763 1 129 . 1 1 118 118 VAL H H 1 7.078 0.005 . 1 . . . . 118 VAL HN . 19763 1 130 . 1 1 118 118 VAL N N 15 108.887 0.050 . 1 . . . . 118 VAL N . 19763 1 131 . 1 1 120 120 GLY H H 1 8.608 0.005 . 1 . . . . 120 GLY HN . 19763 1 132 . 1 1 120 120 GLY N N 15 113.241 0.050 . 1 . . . . 120 GLY N . 19763 1 133 . 1 1 123 123 VAL H H 1 7.072 0.005 . 1 . . . . 123 VAL HN . 19763 1 134 . 1 1 123 123 VAL N N 15 116.851 0.050 . 1 . . . . 123 VAL N . 19763 1 135 . 1 1 125 125 ASP H H 1 8.037 0.005 . 1 . . . . 125 ASP HN . 19763 1 136 . 1 1 125 125 ASP N N 15 117.679 0.050 . 1 . . . . 125 ASP N . 19763 1 137 . 1 1 126 126 LYS H H 1 7.031 0.005 . 1 . . . . 126 LYS HN . 19763 1 138 . 1 1 126 126 LYS N N 15 118.836 0.050 . 1 . . . . 126 LYS N . 19763 1 139 . 1 1 128 128 GLU H H 1 7.284 0.005 . 1 . . . . 128 GLU HN . 19763 1 140 . 1 1 128 128 GLU N N 15 121.189 0.050 . 1 . . . . 128 GLU N . 19763 1 141 . 1 1 129 129 ASN H H 1 8.461 0.005 . 1 . . . . 129 ASN HN . 19763 1 142 . 1 1 129 129 ASN N N 15 116.460 0.050 . 1 . . . . 129 ASN N . 19763 1 143 . 1 1 130 130 ARG H H 1 7.728 0.005 . 1 . . . . 130 ARG HN . 19763 1 144 . 1 1 130 130 ARG N N 15 121.461 0.050 . 1 . . . . 130 ARG N . 19763 1 145 . 1 1 133 133 GLU H H 1 8.226 0.005 . 1 . . . . 133 GLU HN . 19763 1 146 . 1 1 133 133 GLU N N 15 119.089 0.050 . 1 . . . . 133 GLU N . 19763 1 147 . 1 1 137 137 SER H H 1 8.077 0.005 . 1 . . . . 137 SER HN . 19763 1 148 . 1 1 137 137 SER N N 15 115.277 0.050 . 1 . . . . 137 SER N . 19763 1 149 . 1 1 138 138 LEU H H 1 8.346 0.005 . 1 . . . . 138 LEU HN . 19763 1 150 . 1 1 138 138 LEU N N 15 122.753 0.050 . 1 . . . . 138 LEU N . 19763 1 151 . 1 1 141 141 SER H H 1 7.342 0.005 . 1 . . . . 141 SER HN . 19763 1 152 . 1 1 141 141 SER N N 15 112.572 0.050 . 1 . . . . 141 SER N . 19763 1 153 . 1 1 142 142 LEU H H 1 7.253 0.005 . 1 . . . . 142 LEU HN . 19763 1 154 . 1 1 142 142 LEU N N 15 119.847 0.050 . 1 . . . . 142 LEU N . 19763 1 155 . 1 1 145 145 GLN H H 1 8.264 0.005 . 1 . . . . 145 GLN HN . 19763 1 156 . 1 1 145 145 GLN N N 15 113.987 0.050 . 1 . . . . 145 GLN N . 19763 1 157 . 1 1 146 146 GLY H H 1 6.402 0.005 . 1 . . . . 146 GLY HN . 19763 1 158 . 1 1 146 146 GLY N N 15 101.715 0.050 . 1 . . . . 146 GLY N . 19763 1 159 . 1 1 147 147 GLN H H 1 5.781 0.005 . 1 . . . . 147 GLN HN . 19763 1 160 . 1 1 147 147 GLN N N 15 111.239 0.050 . 1 . . . . 147 GLN N . 19763 1 161 . 1 1 148 148 CYS H H 1 8.162 0.005 . 1 . . . . 148 CYS HN . 19763 1 162 . 1 1 148 148 CYS N N 15 110.474 0.050 . 1 . . . . 148 CYS N . 19763 1 163 . 1 1 149 149 ASN H H 1 9.064 0.005 . 1 . . . . 149 ASN HN . 19763 1 164 . 1 1 149 149 ASN N N 15 119.948 0.050 . 1 . . . . 149 ASN N . 19763 1 165 . 1 1 150 150 PHE H H 1 9.233 0.005 . 1 . . . . 150 PHE HN . 19763 1 166 . 1 1 150 150 PHE N N 15 123.828 0.050 . 1 . . . . 150 PHE N . 19763 1 167 . 1 1 151 151 THR H H 1 7.205 0.005 . 1 . . . . 151 THR HN . 19763 1 168 . 1 1 151 151 THR N N 15 109.450 0.050 . 1 . . . . 151 THR N . 19763 1 169 . 1 1 152 152 GLU H H 1 6.163 0.005 . 1 . . . . 152 GLU HN . 19763 1 170 . 1 1 152 152 GLU N N 15 118.555 0.050 . 1 . . . . 152 GLU N . 19763 1 171 . 1 1 164 164 MET H H 1 8.730 0.005 . 1 . . . . 164 MET HN . 19763 1 172 . 1 1 164 164 MET N N 15 116.051 0.050 . 1 . . . . 164 MET N . 19763 1 173 . 1 1 168 168 GLY H H 1 7.442 0.005 . 1 . . . . 168 GLY HN . 19763 1 174 . 1 1 168 168 GLY N N 15 108.699 0.050 . 1 . . . . 168 GLY N . 19763 1 175 . 1 1 171 171 GLU H H 1 8.638 0.005 . 1 . . . . 171 GLU HN . 19763 1 176 . 1 1 171 171 GLU N N 15 123.116 0.050 . 1 . . . . 171 GLU N . 19763 1 177 . 1 1 172 172 GLU H H 1 9.318 0.005 . 1 . . . . 172 GLU HN . 19763 1 178 . 1 1 172 172 GLU N N 15 120.004 0.050 . 1 . . . . 172 GLU N . 19763 1 179 . 1 1 173 173 ASP H H 1 7.493 0.005 . 1 . . . . 173 ASP HN . 19763 1 180 . 1 1 173 173 ASP N N 15 119.085 0.050 . 1 . . . . 173 ASP N . 19763 1 181 . 1 1 180 180 LEU H H 1 7.944 0.005 . 1 . . . . 180 LEU HN . 19763 1 182 . 1 1 180 180 LEU N N 15 117.684 0.050 . 1 . . . . 180 LEU N . 19763 1 183 . 1 1 181 181 THR H H 1 6.754 0.005 . 1 . . . . 181 THR HN . 19763 1 184 . 1 1 181 181 THR N N 15 115.906 0.050 . 1 . . . . 181 THR N . 19763 1 185 . 1 1 182 182 ASP H H 1 8.173 0.005 . 1 . . . . 182 ASP HN . 19763 1 186 . 1 1 182 182 ASP N N 15 122.747 0.050 . 1 . . . . 182 ASP N . 19763 1 187 . 1 1 183 183 GLN H H 1 7.233 0.005 . 1 . . . . 183 GLN HN . 19763 1 188 . 1 1 183 183 GLN N N 15 114.370 0.050 . 1 . . . . 183 GLN N . 19763 1 189 . 1 1 184 184 MET H H 1 7.566 0.005 . 1 . . . . 184 MET HN . 19763 1 190 . 1 1 184 184 MET N N 15 116.225 0.050 . 1 . . . . 184 MET N . 19763 1 191 . 1 1 186 186 ARG H H 1 8.692 0.005 . 1 . . . . 186 ARG HN . 19763 1 192 . 1 1 186 186 ARG N N 15 118.283 0.050 . 1 . . . . 186 ARG N . 19763 1 193 . 1 1 189 189 GLY H H 1 8.693 0.005 . 1 . . . . 189 GLY HN . 19763 1 194 . 1 1 189 189 GLY N N 15 110.688 0.050 . 1 . . . . 189 GLY N . 19763 1 195 . 1 1 192 192 THR H H 1 8.905 0.005 . 1 . . . . 192 THR HN . 19763 1 196 . 1 1 192 192 THR N N 15 116.993 0.050 . 1 . . . . 192 THR N . 19763 1 197 . 1 1 193 193 PHE H H 1 8.741 0.005 . 1 . . . . 193 PHE HN . 19763 1 198 . 1 1 193 193 PHE N N 15 123.808 0.050 . 1 . . . . 193 PHE N . 19763 1 199 . 1 1 195 195 GLU H H 1 7.649 0.005 . 1 . . . . 195 GLU HN . 19763 1 200 . 1 1 195 195 GLU N N 15 118.214 0.050 . 1 . . . . 195 GLU N . 19763 1 201 . 1 1 196 196 ALA H H 1 7.937 0.005 . 1 . . . . 196 ALA HN . 19763 1 202 . 1 1 196 196 ALA N N 15 125.530 0.050 . 1 . . . . 196 ALA N . 19763 1 203 . 1 1 197 197 LYS H H 1 8.325 0.005 . 1 . . . . 197 LYS HN . 19763 1 204 . 1 1 197 197 LYS N N 15 119.226 0.050 . 1 . . . . 197 LYS N . 19763 1 205 . 1 1 198 198 GLU H H 1 7.698 0.005 . 1 . . . . 198 GLU HN . 19763 1 206 . 1 1 198 198 GLU N N 15 117.181 0.050 . 1 . . . . 198 GLU N . 19763 1 207 . 1 1 201 201 TYR H H 1 7.501 0.005 . 1 . . . . 201 TYR HN . 19763 1 208 . 1 1 201 201 TYR N N 15 117.278 0.050 . 1 . . . . 201 TYR N . 19763 1 209 . 1 1 207 207 ILE H H 1 6.463 0.005 . 1 . . . . 207 ILE HN . 19763 1 210 . 1 1 207 207 ILE N N 15 119.979 0.050 . 1 . . . . 207 ILE N . 19763 1 211 . 1 1 210 210 GLN H H 1 7.654 0.005 . 1 . . . . 210 GLN HN . 19763 1 212 . 1 1 210 210 GLN N N 15 119.083 0.050 . 1 . . . . 210 GLN N . 19763 1 213 . 1 1 211 211 ARG H H 1 7.961 0.005 . 1 . . . . 211 ARG HN . 19763 1 214 . 1 1 211 211 ARG N N 15 118.508 0.050 . 1 . . . . 211 ARG N . 19763 1 215 . 1 1 213 213 GLN H H 1 7.318 0.005 . 1 . . . . 213 GLN HN . 19763 1 216 . 1 1 213 213 GLN N N 15 117.980 0.050 . 1 . . . . 213 GLN N . 19763 1 217 . 1 1 214 214 LYS H H 1 7.804 0.005 . 1 . . . . 214 LYS HN . 19763 1 218 . 1 1 214 214 LYS N N 15 119.224 0.050 . 1 . . . . 214 LYS N . 19763 1 219 . 1 1 216 216 GLY H H 1 8.368 0.005 . 1 . . . . 216 GLY HN . 19763 1 220 . 1 1 216 216 GLY N N 15 111.265 0.050 . 1 . . . . 216 GLY N . 19763 1 221 . 1 1 217 217 THR H H 1 8.479 0.005 . 1 . . . . 217 THR HN . 19763 1 222 . 1 1 217 217 THR N N 15 109.958 0.050 . 1 . . . . 217 THR N . 19763 1 223 . 1 1 219 219 ALA H H 1 8.367 0.005 . 1 . . . . 219 ALA HN . 19763 1 224 . 1 1 219 219 ALA N N 15 118.037 0.050 . 1 . . . . 219 ALA N . 19763 1 225 . 1 1 225 225 ASN H H 1 7.065 0.005 . 1 . . . . 225 ASN HN . 19763 1 226 . 1 1 225 225 ASN N N 15 112.819 0.050 . 1 . . . . 225 ASN N . 19763 1 227 . 1 1 226 226 GLY H H 1 7.500 0.005 . 1 . . . . 226 GLY HN . 19763 1 228 . 1 1 226 226 GLY N N 15 109.976 0.050 . 1 . . . . 226 GLY N . 19763 1 229 . 1 1 227 227 GLN H H 1 8.015 0.005 . 1 . . . . 227 GLN HN . 19763 1 230 . 1 1 227 227 GLN N N 15 118.337 0.050 . 1 . . . . 227 GLN N . 19763 1 231 . 1 1 228 228 VAL H H 1 8.808 0.005 . 1 . . . . 228 VAL HN . 19763 1 232 . 1 1 228 228 VAL N N 15 117.571 0.050 . 1 . . . . 228 VAL N . 19763 1 233 . 1 1 229 229 ASN H H 1 8.823 0.005 . 1 . . . . 229 ASN HN . 19763 1 234 . 1 1 229 229 ASN N N 15 121.558 0.050 . 1 . . . . 229 ASN N . 19763 1 235 . 1 1 230 230 GLY H H 1 8.513 0.005 . 1 . . . . 230 GLY HN . 19763 1 236 . 1 1 230 230 GLY N N 15 103.426 0.050 . 1 . . . . 230 GLY N . 19763 1 237 . 1 1 231 231 ARG H H 1 7.868 0.005 . 1 . . . . 231 ARG HN . 19763 1 238 . 1 1 231 231 ARG N N 15 119.199 0.050 . 1 . . . . 231 ARG N . 19763 1 239 . 1 1 233 233 ILE H H 1 8.157 0.005 . 1 . . . . 233 ILE HN . 19763 1 240 . 1 1 233 233 ILE N N 15 127.111 0.050 . 1 . . . . 233 ILE N . 19763 1 241 . 1 1 234 234 THR H H 1 8.970 0.005 . 1 . . . . 234 THR HN . 19763 1 242 . 1 1 234 234 THR N N 15 119.958 0.050 . 1 . . . . 234 THR N . 19763 1 243 . 1 1 239 239 LYS H H 1 7.983 0.005 . 1 . . . . 239 LYS HN . 19763 1 244 . 1 1 239 239 LYS N N 15 121.733 0.050 . 1 . . . . 239 LYS N . 19763 1 245 . 1 1 240 240 ARG H H 1 7.436 0.005 . 1 . . . . 240 ARG HN . 19763 1 246 . 1 1 240 240 ARG N N 15 118.931 0.050 . 1 . . . . 240 ARG N . 19763 1 247 . 1 1 243 243 GLY H H 1 8.712 0.005 . 1 . . . . 243 GLY HN . 19763 1 248 . 1 1 243 243 GLY N N 15 105.900 0.050 . 1 . . . . 243 GLY N . 19763 1 249 . 1 1 244 244 LEU H H 1 6.078 0.005 . 1 . . . . 244 LEU HN . 19763 1 250 . 1 1 244 244 LEU N N 15 121.534 0.050 . 1 . . . . 244 LEU N . 19763 1 251 . 1 1 255 255 ASN H H 1 7.840 0.005 . 1 . . . . 255 ASN HN . 19763 1 252 . 1 1 255 255 ASN N N 15 115.457 0.050 . 1 . . . . 255 ASN N . 19763 1 253 . 1 1 256 256 PHE H H 1 9.052 0.005 . 1 . . . . 256 PHE HN . 19763 1 254 . 1 1 256 256 PHE N N 15 121.717 0.050 . 1 . . . . 256 PHE N . 19763 1 255 . 1 1 258 258 SER H H 1 7.193 0.005 . 1 . . . . 258 SER HN . 19763 1 256 . 1 1 258 258 SER N N 15 115.081 0.050 . 1 . . . . 258 SER N . 19763 1 257 . 1 1 260 260 SER H H 1 6.931 0.005 . 1 . . . . 260 SER HN . 19763 1 258 . 1 1 260 260 SER N N 15 108.417 0.050 . 1 . . . . 260 SER N . 19763 1 259 . 1 1 261 261 MET H H 1 6.373 0.005 . 1 . . . . 261 MET HN . 19763 1 260 . 1 1 261 261 MET N N 15 118.642 0.050 . 1 . . . . 261 MET N . 19763 1 261 . 1 1 266 266 LYS H H 1 7.239 0.005 . 1 . . . . 266 LYS HN . 19763 1 262 . 1 1 266 266 LYS N N 15 115.698 0.050 . 1 . . . . 266 LYS N . 19763 1 263 . 1 1 269 269 GLU H H 1 8.640 0.005 . 1 . . . . 269 GLU HN . 19763 1 264 . 1 1 269 269 GLU N N 15 128.217 0.050 . 1 . . . . 269 GLU N . 19763 1 265 . 1 1 270 270 HIS H H 1 7.544 0.005 . 1 . . . . 270 HIS HN . 19763 1 266 . 1 1 270 270 HIS N N 15 113.066 0.050 . 1 . . . . 270 HIS N . 19763 1 267 . 1 1 275 275 ILE H H 1 7.545 0.005 . 1 . . . . 275 ILE HN . 19763 1 268 . 1 1 275 275 ILE N N 15 121.633 0.050 . 1 . . . . 275 ILE N . 19763 1 269 . 1 1 276 276 GLU H H 1 7.548 0.005 . 1 . . . . 276 GLU HN . 19763 1 270 . 1 1 276 276 GLU N N 15 118.615 0.050 . 1 . . . . 276 GLU N . 19763 1 271 . 1 1 279 279 GLU H H 1 10.000 0.005 . 1 . . . . 279 GLU HN . 19763 1 272 . 1 1 279 279 GLU N N 15 122.202 0.050 . 1 . . . . 279 GLU N . 19763 1 273 . 1 1 283 283 ALA H H 1 7.748 0.005 . 1 . . . . 283 ALA HN . 19763 1 274 . 1 1 283 283 ALA N N 15 122.706 0.050 . 1 . . . . 283 ALA N . 19763 1 275 . 1 1 288 288 LEU H H 1 5.650 0.005 . 1 . . . . 288 LEU HN . 19763 1 276 . 1 1 288 288 LEU N N 15 117.181 0.050 . 1 . . . . 288 LEU N . 19763 1 277 . 1 1 289 289 LEU H H 1 5.794 0.005 . 1 . . . . 289 LEU HN . 19763 1 278 . 1 1 289 289 LEU N N 15 121.573 0.050 . 1 . . . . 289 LEU N . 19763 1 279 . 1 1 291 291 ARG H H 1 8.161 0.005 . 1 . . . . 291 ARG HN . 19763 1 280 . 1 1 291 291 ARG N N 15 119.495 0.050 . 1 . . . . 291 ARG N . 19763 1 281 . 1 1 292 292 PHE H H 1 8.279 0.005 . 1 . . . . 292 PHE HN . 19763 1 282 . 1 1 292 292 PHE N N 15 115.201 0.050 . 1 . . . . 292 PHE N . 19763 1 283 . 1 1 293 293 SER H H 1 5.454 0.005 . 1 . . . . 293 SER HN . 19763 1 284 . 1 1 293 293 SER N N 15 109.759 0.050 . 1 . . . . 293 SER N . 19763 1 285 . 1 1 297 297 ASP H H 1 7.359 0.005 . 1 . . . . 297 ASP HN . 19763 1 286 . 1 1 297 297 ASP N N 15 119.836 0.050 . 1 . . . . 297 ASP N . 19763 1 287 . 1 1 298 298 GLY H H 1 7.427 0.005 . 1 . . . . 298 GLY HN . 19763 1 288 . 1 1 298 298 GLY N N 15 102.453 0.050 . 1 . . . . 298 GLY N . 19763 1 289 . 1 1 300 300 ILE H H 1 9.305 0.005 . 1 . . . . 300 ILE HN . 19763 1 290 . 1 1 300 300 ILE N N 15 121.358 0.050 . 1 . . . . 300 ILE N . 19763 1 291 . 1 1 301 301 LEU H H 1 8.682 0.005 . 1 . . . . 301 LEU HN . 19763 1 292 . 1 1 301 301 LEU N N 15 131.374 0.050 . 1 . . . . 301 LEU N . 19763 1 293 . 1 1 302 302 THR H H 1 8.509 0.005 . 1 . . . . 302 THR HN . 19763 1 294 . 1 1 302 302 THR N N 15 116.545 0.050 . 1 . . . . 302 THR N . 19763 1 295 . 1 1 303 303 SER H H 1 7.471 0.005 . 1 . . . . 303 SER HN . 19763 1 296 . 1 1 303 303 SER N N 15 112.909 0.050 . 1 . . . . 303 SER N . 19763 1 297 . 1 1 304 304 ASP H H 1 8.418 0.005 . 1 . . . . 304 ASP HN . 19763 1 298 . 1 1 304 304 ASP N N 15 121.152 0.050 . 1 . . . . 304 ASP N . 19763 1 299 . 1 1 306 306 GLU H H 1 7.638 0.005 . 1 . . . . 306 GLU HN . 19763 1 300 . 1 1 306 306 GLU N N 15 130.112 0.050 . 1 . . . . 306 GLU N . 19763 1 301 . 1 1 307 307 PHE H H 1 8.355 0.005 . 1 . . . . 307 PHE HN . 19763 1 302 . 1 1 307 307 PHE N N 15 129.767 0.050 . 1 . . . . 307 PHE N . 19763 1 303 . 1 1 308 308 HIS H H 1 8.881 0.005 . 1 . . . . 308 HIS HN . 19763 1 304 . 1 1 308 308 HIS N N 15 123.695 0.050 . 1 . . . . 308 HIS N . 19763 1 305 . 1 1 309 309 GLY H H 1 8.286 0.005 . 1 . . . . 309 GLY HN . 19763 1 306 . 1 1 309 309 GLY N N 15 102.700 0.050 . 1 . . . . 309 GLY N . 19763 1 307 . 1 1 310 310 VAL H H 1 7.368 0.005 . 1 . . . . 310 VAL HN . 19763 1 308 . 1 1 310 310 VAL N N 15 123.973 0.050 . 1 . . . . 310 VAL N . 19763 1 309 . 1 1 311 311 GLN H H 1 8.322 0.005 . 1 . . . . 311 GLN HN . 19763 1 310 . 1 1 311 311 GLN N N 15 125.796 0.050 . 1 . . . . 311 GLN N . 19763 1 311 . 1 1 312 312 LEU H H 1 8.500 0.005 . 1 . . . . 312 LEU HN . 19763 1 312 . 1 1 312 312 LEU N N 15 128.310 0.050 . 1 . . . . 312 LEU N . 19763 1 313 . 1 1 313 313 LYS H H 1 8.461 0.005 . 1 . . . . 313 LYS HN . 19763 1 314 . 1 1 313 313 LYS N N 15 125.129 0.050 . 1 . . . . 313 LYS N . 19763 1 315 . 1 1 314 314 LYS H H 1 8.635 0.005 . 1 . . . . 314 LYS HN . 19763 1 316 . 1 1 314 314 LYS N N 15 121.887 0.050 . 1 . . . . 314 LYS N . 19763 1 317 . 1 1 315 315 GLY H H 1 8.483 0.005 . 1 . . . . 315 GLY HN . 19763 1 318 . 1 1 315 315 GLY N N 15 117.400 0.050 . 1 . . . . 315 GLY N . 19763 1 319 . 1 1 316 316 ASP H H 1 8.863 0.005 . 1 . . . . 316 ASP HN . 19763 1 320 . 1 1 316 316 ASP N N 15 122.770 0.050 . 1 . . . . 316 ASP N . 19763 1 321 . 1 1 317 317 GLN H H 1 9.414 0.005 . 1 . . . . 317 GLN HN . 19763 1 322 . 1 1 317 317 GLN N N 15 118.893 0.050 . 1 . . . . 317 GLN N . 19763 1 323 . 1 1 323 323 MET H H 1 7.571 0.005 . 1 . . . . 323 MET HN . 19763 1 324 . 1 1 323 323 MET N N 15 113.560 0.050 . 1 . . . . 323 MET N . 19763 1 325 . 1 1 324 324 LEU H H 1 7.120 0.005 . 1 . . . . 324 LEU HN . 19763 1 326 . 1 1 324 324 LEU N N 15 113.818 0.050 . 1 . . . . 324 LEU N . 19763 1 327 . 1 1 327 327 LEU H H 1 6.641 0.005 . 1 . . . . 327 LEU HN . 19763 1 328 . 1 1 327 327 LEU N N 15 119.601 0.050 . 1 . . . . 327 LEU N . 19763 1 329 . 1 1 329 329 GLU H H 1 9.375 0.005 . 1 . . . . 329 GLU HN . 19763 1 330 . 1 1 329 329 GLU N N 15 131.962 0.050 . 1 . . . . 329 GLU N . 19763 1 331 . 1 1 330 330 ARG H H 1 8.586 0.005 . 1 . . . . 330 ARG HN . 19763 1 332 . 1 1 330 330 ARG N N 15 118.884 0.050 . 1 . . . . 330 ARG N . 19763 1 333 . 1 1 332 332 ASN H H 1 7.711 0.005 . 1 . . . . 332 ASN HN . 19763 1 334 . 1 1 332 332 ASN N N 15 116.608 0.050 . 1 . . . . 332 ASN N . 19763 1 335 . 1 1 333 333 ALA H H 1 8.482 0.005 . 1 . . . . 333 ALA HN . 19763 1 336 . 1 1 333 333 ALA N N 15 124.344 0.050 . 1 . . . . 333 ALA N . 19763 1 337 . 1 1 334 334 ALA H H 1 9.151 0.005 . 1 . . . . 334 ALA HN . 19763 1 338 . 1 1 334 334 ALA N N 15 123.069 0.050 . 1 . . . . 334 ALA N . 19763 1 339 . 1 1 336 336 MET H H 1 8.650 0.005 . 1 . . . . 336 MET HN . 19763 1 340 . 1 1 336 336 MET N N 15 115.831 0.050 . 1 . . . . 336 MET N . 19763 1 341 . 1 1 338 338 VAL H H 1 8.006 0.005 . 1 . . . . 338 VAL HN . 19763 1 342 . 1 1 338 338 VAL N N 15 126.963 0.050 . 1 . . . . 338 VAL N . 19763 1 343 . 1 1 339 339 ASP H H 1 10.070 0.005 . 1 . . . . 339 ASP HN . 19763 1 344 . 1 1 339 339 ASP N N 15 131.351 0.050 . 1 . . . . 339 ASP N . 19763 1 345 . 1 1 340 340 PHE H H 1 9.568 0.005 . 1 . . . . 340 PHE HN . 19763 1 346 . 1 1 340 340 PHE N N 15 124.567 0.050 . 1 . . . . 340 PHE N . 19763 1 347 . 1 1 342 342 ARG H H 1 7.182 0.005 . 1 . . . . 342 ARG HN . 19763 1 348 . 1 1 342 342 ARG N N 15 124.631 0.050 . 1 . . . . 342 ARG N . 19763 1 349 . 1 1 345 345 VAL H H 1 8.622 0.005 . 1 . . . . 345 VAL HN . 19763 1 350 . 1 1 345 345 VAL N N 15 127.215 0.050 . 1 . . . . 345 VAL N . 19763 1 351 . 1 1 351 351 GLY H H 1 6.793 0.005 . 1 . . . . 351 GLY HN . 19763 1 352 . 1 1 351 351 GLY N N 15 104.608 0.050 . 1 . . . . 351 GLY N . 19763 1 353 . 1 1 352 352 HIS H H 1 7.718 0.005 . 1 . . . . 352 HIS HN . 19763 1 354 . 1 1 352 352 HIS N N 15 118.318 0.050 . 1 . . . . 352 HIS N . 19763 1 355 . 1 1 353 353 GLY H H 1 7.983 0.005 . 1 . . . . 353 GLY HN . 19763 1 356 . 1 1 353 353 GLY N N 15 114.638 0.050 . 1 . . . . 353 GLY N . 19763 1 357 . 1 1 356 356 LEU H H 1 6.860 0.005 . 1 . . . . 356 LEU HN . 19763 1 358 . 1 1 356 356 LEU N N 15 119.353 0.050 . 1 . . . . 356 LEU N . 19763 1 359 . 1 1 359 359 GLY H H 1 6.956 0.005 . 1 . . . . 359 GLY HN . 19763 1 360 . 1 1 359 359 GLY N N 15 105.898 0.050 . 1 . . . . 359 GLY N . 19763 1 361 . 1 1 360 360 GLN H H 1 8.613 0.005 . 1 . . . . 360 GLN HN . 19763 1 362 . 1 1 360 360 GLN N N 15 118.223 0.050 . 1 . . . . 360 GLN N . 19763 1 363 . 1 1 361 361 HIS H H 1 6.934 0.005 . 1 . . . . 361 HIS HN . 19763 1 364 . 1 1 361 361 HIS N N 15 115.491 0.050 . 1 . . . . 361 HIS N . 19763 1 365 . 1 1 362 362 LEU H H 1 6.969 0.005 . 1 . . . . 362 LEU HN . 19763 1 366 . 1 1 362 362 LEU N N 15 118.931 0.050 . 1 . . . . 362 LEU N . 19763 1 367 . 1 1 380 380 ASP H H 1 8.082 0.005 . 1 . . . . 380 ASP HN . 19763 1 368 . 1 1 380 380 ASP N N 15 116.526 0.050 . 1 . . . . 380 ASP N . 19763 1 369 . 1 1 381 381 PHE H H 1 6.535 0.005 . 1 . . . . 381 PHE HN . 19763 1 370 . 1 1 381 381 PHE N N 15 119.092 0.050 . 1 . . . . 381 PHE N . 19763 1 371 . 1 1 384 384 ALA H H 1 8.128 0.005 . 1 . . . . 384 ALA HN . 19763 1 372 . 1 1 384 384 ALA N N 15 131.673 0.050 . 1 . . . . 384 ALA N . 19763 1 373 . 1 1 387 387 ALA H H 1 7.558 0.005 . 1 . . . . 387 ALA HN . 19763 1 374 . 1 1 387 387 ALA N N 15 123.920 0.050 . 1 . . . . 387 ALA N . 19763 1 375 . 1 1 388 388 GLN H H 1 8.432 0.005 . 1 . . . . 388 GLN HN . 19763 1 376 . 1 1 388 388 GLN N N 15 122.571 0.050 . 1 . . . . 388 GLN N . 19763 1 377 . 1 1 389 389 ILE H H 1 8.561 0.005 . 1 . . . . 389 ILE HN . 19763 1 378 . 1 1 389 389 ILE N N 15 126.752 0.050 . 1 . . . . 389 ILE N . 19763 1 379 . 1 1 390 390 GLN H H 1 9.543 0.005 . 1 . . . . 390 GLN HN . 19763 1 380 . 1 1 390 390 GLN N N 15 129.836 0.050 . 1 . . . . 390 GLN N . 19763 1 381 . 1 1 391 391 HIS H H 1 8.892 0.005 . 1 . . . . 391 HIS HN . 19763 1 382 . 1 1 391 391 HIS N N 15 125.312 0.050 . 1 . . . . 391 HIS N . 19763 1 383 . 1 1 392 392 LYS H H 1 8.896 0.005 . 1 . . . . 392 LYS HN . 19763 1 384 . 1 1 392 392 LYS N N 15 119.616 0.050 . 1 . . . . 392 LYS N . 19763 1 385 . 1 1 393 393 SER H H 1 8.900 0.005 . 1 . . . . 393 SER HN . 19763 1 386 . 1 1 393 393 SER N N 15 117.752 0.050 . 1 . . . . 393 SER N . 19763 1 387 . 1 1 394 394 GLY H H 1 6.955 0.005 . 1 . . . . 394 GLY HN . 19763 1 388 . 1 1 394 394 GLY N N 15 110.869 0.050 . 1 . . . . 394 GLY N . 19763 1 389 . 1 1 395 395 ILE H H 1 8.355 0.005 . 1 . . . . 395 ILE HN . 19763 1 390 . 1 1 395 395 ILE N N 15 125.447 0.050 . 1 . . . . 395 ILE N . 19763 1 391 . 1 1 396 396 VAL H H 1 6.269 0.005 . 1 . . . . 396 VAL HN . 19763 1 392 . 1 1 396 396 VAL N N 15 113.485 0.050 . 1 . . . . 396 VAL N . 19763 1 393 . 1 1 397 397 SER H H 1 8.590 0.005 . 1 . . . . 397 SER HN . 19763 1 394 . 1 1 397 397 SER N N 15 126.223 0.050 . 1 . . . . 397 SER N . 19763 1 395 . 1 1 398 398 GLY H H 1 8.620 0.005 . 1 . . . . 398 GLY HN . 19763 1 396 . 1 1 398 398 GLY N N 15 102.359 0.050 . 1 . . . . 398 GLY N . 19763 1 397 . 1 1 399 399 VAL H H 1 7.010 0.005 . 1 . . . . 399 VAL HN . 19763 1 398 . 1 1 399 399 VAL N N 15 118.224 0.050 . 1 . . . . 399 VAL N . 19763 1 399 . 1 1 400 400 GLN H H 1 8.906 0.005 . 1 . . . . 400 GLN HN . 19763 1 400 . 1 1 400 400 GLN N N 15 125.941 0.050 . 1 . . . . 400 GLN N . 19763 1 401 . 1 1 401 401 ALA H H 1 7.246 0.005 . 1 . . . . 401 ALA HN . 19763 1 402 . 1 1 401 401 ALA N N 15 117.244 0.050 . 1 . . . . 401 ALA N . 19763 1 403 . 1 1 409 409 ALA H H 1 8.569 0.005 . 1 . . . . 409 ALA HN . 19763 1 404 . 1 1 409 409 ALA N N 15 121.463 0.050 . 1 . . . . 409 ALA N . 19763 1 405 . 1 1 410 410 THR H H 1 8.058 0.005 . 1 . . . . 410 THR HN . 19763 1 406 . 1 1 410 410 THR N N 15 108.309 0.050 . 1 . . . . 410 THR N . 19763 1 407 . 1 1 411 411 THR H H 1 7.216 0.005 . 1 . . . . 411 THR HN . 19763 1 408 . 1 1 411 411 THR N N 15 113.080 0.050 . 1 . . . . 411 THR N . 19763 1 409 . 1 1 412 412 LYS H H 1 8.901 0.005 . 1 . . . . 412 LYS HN . 19763 1 410 . 1 1 412 412 LYS N N 15 121.048 0.050 . 1 . . . . 412 LYS N . 19763 1 411 . 1 1 413 413 ALA H H 1 8.002 0.005 . 1 . . . . 413 ALA HN . 19763 1 412 . 1 1 413 413 ALA N N 15 125.316 0.050 . 1 . . . . 413 ALA N . 19763 1 413 . 1 1 414 414 VAL H H 1 7.962 0.005 . 1 . . . . 414 VAL HN . 19763 1 414 . 1 1 414 414 VAL N N 15 127.347 0.050 . 1 . . . . 414 VAL N . 19763 1 stop_ save_