data_19740 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19740 _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 2014-01-19 _Entry.Accession_date 2014-01-19 _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. . 19740 2 Marcellus Ubbink . . . 19740 3 Yoshitaka Hiruma . . . 19740 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' . 19740 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' . 19740 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19740 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 960 19740 '15N chemical shifts' 297 19740 '1H chemical shifts' 306 19740 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 . 19740 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19740 _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. . 19740 1 2 Wei-Min Liu . . . 19740 1 3 Yoshitaka Hiruma . . . 19740 1 4 Monika Timmer . . . 19740 1 5 Anneloes Blok . . . 19740 1 6 Mathias Hass . A.S. . 19740 1 7 Marcellus Ubbink . . . 19740 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19740 _Assembly.ID 1 _Assembly.Name CYP101 _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 3 _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 yes _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 . . . 19740 1 2 'PROTOPORPHYRIN IX CONTAINING FE' 2 $entity_HEM B . no native no no . . . 19740 1 3 CAMPHOR 3 $entity_CAM C . no native no no . . . 19740 1 4 'CYANIDE ION' 4 $entity_CYN D . no native no no . . . 19740 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CYP101 _Entity.Sf_category entity _Entity.Sf_framecode CYP101 _Entity.Entry_ID 19740 _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 yes _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 . . . . 19740 1 2 no BMRB 17415 . entity_1 . . . . . 99.76 413 99.76 99.76 0.00e+00 . . . . 19740 1 3 no BMRB 19038 . entity_1 . . . . . 97.58 404 99.50 99.75 0.00e+00 . . . . 19740 1 4 no BMRB 19763 . CYP101 . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19740 1 5 no PDB 1AKD . "Cytochrome P450cam From Pseudomonas Putida, Complexed With 1s-Camphor" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19740 1 6 no PDB 1C8J . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96F)" . . . . . 100.00 414 99.28 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 1 8 no PDB 1DZ4 . "Ferric P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19740 1 9 no PDB 1DZ6 . "Ferrous P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19740 1 10 no PDB 1DZ8 . "Oxygen Complex Of P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19740 1 11 no PDB 1DZ9 . "Putative Oxo Complex Of P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 22 no PDB 1MPW . "Molecular Recognition In (+)-a-pinene Oxidation By Cytochrome P450cam" . . . . . 100.00 414 99.28 100.00 0.00e+00 . . . . 19740 1 23 no PDB 1NOO . "Cytochrome P450-Cam Complexed With 5-Exo-Hydroxycamphor" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19740 1 24 no PDB 1O76 . "Cyanide Complex Of P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 27 no PDB 1PHA . "Inhibitor-Induced Conformational Change In Cytochrome P450- Cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19740 1 28 no PDB 1PHB . "Inhibitor-Induced Conformational Change In Cytochrome P450- Cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19740 1 29 no PDB 1PHC . "Crystal Structure Of Substrate-free Pseudomonas Putida Cytochrome P450" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 34 no PDB 1QMQ . "Optical Detection Of Cytochrome P450 By Sensitizer-Linked Substrates" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 38 no PDB 1T86 . "Crystal Structure Of The Ferrous Cytochrome P450cam Mutant (L358pC334A)" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 1 40 no PDB 1T88 . "Crystal Structure Of The Ferrous Cytochrome P450cam (C334a)" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19740 1 41 no PDB 1UYU . "Xenon Complex Of Wildtype P450cam From Pseudomonas Putida" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19740 1 42 no PDB 1YRC . "X-ray Crystal Structure Of Hydrogenated Cytochrome P450cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19740 1 43 no PDB 1YRD . "X-Ray Crystal Structure Of Perdeuterated Cytochrome P450cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 48 no PDB 2CPP . "High-Resolution Crystal Structure Of Cytochrome P450-Cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19740 1 49 no PDB 2FE6 . "P450cam From Pseudomonas Putida Reconstituted With Manganic Protoporphyrin Ix" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19740 1 50 no PDB 2FER . "P450cam From Pseudomonas Putida Reconstituted With Manganic Protoporphyrin Ix" . . . . . 97.83 411 99.75 99.75 0.00e+00 . . . . 19740 1 51 no PDB 2FEU . "P450cam From Pseudomonas Putida Reconstituted With Manganic Protoporphyrin Ix" . . . . . 97.83 411 99.75 99.75 0.00e+00 . . . . 19740 1 52 no PDB 2FRZ . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96FV247LC334A)" . . . . . 100.00 414 99.28 100.00 0.00e+00 . . . . 19740 1 53 no PDB 2GQX . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96FL244AV247LC334A) WITH PENTACHLOROBENZENE" . . . . . 97.83 405 99.01 99.75 0.00e+00 . . . . 19740 1 54 no PDB 2GR6 . "Crystal Structure Of Cytochrome P450cam Mutant (F87wY96FL244AV247LC334A)" . . . . . 97.83 405 99.01 99.75 0.00e+00 . . . . 19740 1 55 no PDB 2H7Q . "Cytochrome P450cam Complexed With Imidazole" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19740 1 56 no PDB 2H7R . "L244a Mutant Of Cytochrome P450cam Complexed With Imidazole" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19740 1 57 no PDB 2H7S . "L244a Mutant Of Cytochrome P450cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19740 1 58 no PDB 2L8M . "Reduced And Co-Bound Cytochrome P450cam (Cyp101a1)" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19740 1 59 no PDB 2LQD . "Reduced And Co-Bound Cytochrome P450cam (Cyp101a1)" . . . . . 97.83 405 99.75 99.75 0.00e+00 . . . . 19740 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 . . . . 19740 1 61 no PDB 2QBL . "Crystal Structure Of Ferric G248t Cytochrome P450cam" . . . . . 100.00 421 99.52 99.52 0.00e+00 . . . . 19740 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 . . . . 19740 1 63 no PDB 2QBN . "Crystal Structure Of Ferric G248v Cytochrome P450cam" . . . . . 100.00 421 99.52 99.52 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 67 no PDB 2ZAX . "Crystal Structure Of Ferric Cytochrome P450cam" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 71 no PDB 2ZWT . "Crystal Structure Of Ferric Cytochrome P450cam" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19740 1 72 no PDB 2ZWU . "Crystal Structure Of Camphor Soaked Ferric Cytochrome P450cam" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 80 no PDB 3L62 . "Crystal Structure Of Substrate-Free P450cam At Low [k+]" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19740 1 81 no PDB 3L63 . "Crystal Structure Of Camphor-Bound P450cam At Low [k+]" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 97 no PDB 3WRH . "Crystal Structure Of P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19740 1 98 no PDB 3WRI . "Crystal Structure Of P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19740 1 99 no PDB 3WRJ . "Crystal Structure Of P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19740 1 100 no PDB 3WRK . "Crystal Structure Of P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19740 1 101 no PDB 3WRL . "Crystal Structure Of P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19740 1 102 no PDB 3WRM . "Crystal Structure Of P450cam" . . . . . 100.00 421 99.76 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 105 no PDB 4EK1 . "Crystal Structure Of Electron-Spin Labeled Cytochrome P450cam" . . . . . 100.00 414 98.55 98.55 0.00e+00 . . . . 19740 1 106 no PDB 4G3R . "Crystal Structure Of Nitrosyl Cytochrome P450cam" . . . . . 100.00 414 100.00 100.00 0.00e+00 . . . . 19740 1 107 no PDB 4JWS . "Crystal Structure Of Cytochrome P450cam-putidaredoxin Complex" . . . . . 100.00 415 98.79 98.79 0.00e+00 . . . . 19740 1 108 no PDB 4JWU . "Crystal Structure Of Cytochrome P450cam-putidaredoxin Complex" . . . . . 100.00 415 98.79 98.79 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 111 no PDB 4L49 . "Structure Of L358a Mutant Of P450cam Bound To Camphor" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 115 no PDB 4L4D . "Structure Of Cyanide And Camphor Bound P450cam Mutant L358a" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 119 no PDB 5CP4 . "Cryogenic Structure Of P450cam" . . . . . 100.00 414 99.76 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 1 121 no PDB 6CP4 . "P450cam D251n Mutant" . . . . . 100.00 414 99.52 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 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 . . . . 19740 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 . . . . 19740 1 125 no DBJ BAN13286 . "cytochrome P-450cam [Pseudomonas putida]" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19740 1 126 no GB AAA25760 . "cytochrome P-450-cam [Pseudomonas putida]" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19740 1 127 no REF WP_032492633 . "camphor 5-monooxygenase [Pseudomonas putida]" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19740 1 128 no REF YP_009083112 . "cytochrome P-450cam [Pseudomonas putida]" . . . . . 100.00 415 99.76 99.76 0.00e+00 . . . . 19740 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 . . . . 19740 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 THR . 19740 1 2 3 THR . 19740 1 3 4 GLU . 19740 1 4 5 THR . 19740 1 5 6 ILE . 19740 1 6 7 GLN . 19740 1 7 8 SER . 19740 1 8 9 ASN . 19740 1 9 10 ALA . 19740 1 10 11 ASN . 19740 1 11 12 LEU . 19740 1 12 13 ALA . 19740 1 13 14 PRO . 19740 1 14 15 LEU . 19740 1 15 16 PRO . 19740 1 16 17 PRO . 19740 1 17 18 HIS . 19740 1 18 19 VAL . 19740 1 19 20 PRO . 19740 1 20 21 GLU . 19740 1 21 22 HIS . 19740 1 22 23 LEU . 19740 1 23 24 VAL . 19740 1 24 25 PHE . 19740 1 25 26 ASP . 19740 1 26 27 PHE . 19740 1 27 28 ASP . 19740 1 28 29 MET . 19740 1 29 30 TYR . 19740 1 30 31 ASN . 19740 1 31 32 PRO . 19740 1 32 33 SER . 19740 1 33 34 ASN . 19740 1 34 35 LEU . 19740 1 35 36 SER . 19740 1 36 37 ALA . 19740 1 37 38 GLY . 19740 1 38 39 VAL . 19740 1 39 40 GLN . 19740 1 40 41 GLU . 19740 1 41 42 ALA . 19740 1 42 43 TRP . 19740 1 43 44 ALA . 19740 1 44 45 VAL . 19740 1 45 46 LEU . 19740 1 46 47 GLN . 19740 1 47 48 GLU . 19740 1 48 49 SER . 19740 1 49 50 ASN . 19740 1 50 51 VAL . 19740 1 51 52 PRO . 19740 1 52 53 ASP . 19740 1 53 54 LEU . 19740 1 54 55 VAL . 19740 1 55 56 TRP . 19740 1 56 57 THR . 19740 1 57 58 ARG . 19740 1 58 59 CYS . 19740 1 59 60 ASN . 19740 1 60 61 GLY . 19740 1 61 62 GLY . 19740 1 62 63 HIS . 19740 1 63 64 TRP . 19740 1 64 65 ILE . 19740 1 65 66 ALA . 19740 1 66 67 THR . 19740 1 67 68 ARG . 19740 1 68 69 GLY . 19740 1 69 70 GLN . 19740 1 70 71 LEU . 19740 1 71 72 ILE . 19740 1 72 73 ARG . 19740 1 73 74 GLU . 19740 1 74 75 ALA . 19740 1 75 76 TYR . 19740 1 76 77 GLU . 19740 1 77 78 ASP . 19740 1 78 79 TYR . 19740 1 79 80 ARG . 19740 1 80 81 HIS . 19740 1 81 82 PHE . 19740 1 82 83 SER . 19740 1 83 84 SER . 19740 1 84 85 GLU . 19740 1 85 86 CYS . 19740 1 86 87 PRO . 19740 1 87 88 PHE . 19740 1 88 89 ILE . 19740 1 89 90 PRO . 19740 1 90 91 ARG . 19740 1 91 92 GLU . 19740 1 92 93 ALA . 19740 1 93 94 GLY . 19740 1 94 95 GLU . 19740 1 95 96 ALA . 19740 1 96 97 TYR . 19740 1 97 98 ASP . 19740 1 98 99 PHE . 19740 1 99 100 ILE . 19740 1 100 101 PRO . 19740 1 101 102 THR . 19740 1 102 103 SER . 19740 1 103 104 MET . 19740 1 104 105 ASP . 19740 1 105 106 PRO . 19740 1 106 107 PRO . 19740 1 107 108 GLU . 19740 1 108 109 GLN . 19740 1 109 110 ARG . 19740 1 110 111 GLN . 19740 1 111 112 PHE . 19740 1 112 113 ARG . 19740 1 113 114 ALA . 19740 1 114 115 LEU . 19740 1 115 116 ALA . 19740 1 116 117 ASN . 19740 1 117 118 GLN . 19740 1 118 119 VAL . 19740 1 119 120 VAL . 19740 1 120 121 GLY . 19740 1 121 122 MET . 19740 1 122 123 PRO . 19740 1 123 124 VAL . 19740 1 124 125 VAL . 19740 1 125 126 ASP . 19740 1 126 127 LYS . 19740 1 127 128 LEU . 19740 1 128 129 GLU . 19740 1 129 130 ASN . 19740 1 130 131 ARG . 19740 1 131 132 ILE . 19740 1 132 133 GLN . 19740 1 133 134 GLU . 19740 1 134 135 LEU . 19740 1 135 136 ALA . 19740 1 136 137 CYS . 19740 1 137 138 SER . 19740 1 138 139 LEU . 19740 1 139 140 ILE . 19740 1 140 141 GLU . 19740 1 141 142 SER . 19740 1 142 143 LEU . 19740 1 143 144 ARG . 19740 1 144 145 PRO . 19740 1 145 146 GLN . 19740 1 146 147 GLY . 19740 1 147 148 GLN . 19740 1 148 149 CYS . 19740 1 149 150 ASN . 19740 1 150 151 PHE . 19740 1 151 152 THR . 19740 1 152 153 GLU . 19740 1 153 154 ASP . 19740 1 154 155 TYR . 19740 1 155 156 ALA . 19740 1 156 157 GLU . 19740 1 157 158 PRO . 19740 1 158 159 PHE . 19740 1 159 160 PRO . 19740 1 160 161 ILE . 19740 1 161 162 ARG . 19740 1 162 163 ILE . 19740 1 163 164 PHE . 19740 1 164 165 MET . 19740 1 165 166 LEU . 19740 1 166 167 LEU . 19740 1 167 168 ALA . 19740 1 168 169 GLY . 19740 1 169 170 LEU . 19740 1 170 171 PRO . 19740 1 171 172 GLU . 19740 1 172 173 GLU . 19740 1 173 174 ASP . 19740 1 174 175 ILE . 19740 1 175 176 PRO . 19740 1 176 177 HIS . 19740 1 177 178 LEU . 19740 1 178 179 LYS . 19740 1 179 180 TYR . 19740 1 180 181 LEU . 19740 1 181 182 THR . 19740 1 182 183 ASP . 19740 1 183 184 GLN . 19740 1 184 185 MET . 19740 1 185 186 THR . 19740 1 186 187 ARG . 19740 1 187 188 PRO . 19740 1 188 189 ASP . 19740 1 189 190 GLY . 19740 1 190 191 SER . 19740 1 191 192 MET . 19740 1 192 193 THR . 19740 1 193 194 PHE . 19740 1 194 195 ALA . 19740 1 195 196 GLU . 19740 1 196 197 ALA . 19740 1 197 198 LYS . 19740 1 198 199 GLU . 19740 1 199 200 ALA . 19740 1 200 201 LEU . 19740 1 201 202 TYR . 19740 1 202 203 ASP . 19740 1 203 204 TYR . 19740 1 204 205 LEU . 19740 1 205 206 ILE . 19740 1 206 207 PRO . 19740 1 207 208 ILE . 19740 1 208 209 ILE . 19740 1 209 210 GLU . 19740 1 210 211 GLN . 19740 1 211 212 ARG . 19740 1 212 213 ARG . 19740 1 213 214 GLN . 19740 1 214 215 LYS . 19740 1 215 216 PRO . 19740 1 216 217 GLY . 19740 1 217 218 THR . 19740 1 218 219 ASP . 19740 1 219 220 ALA . 19740 1 220 221 ILE . 19740 1 221 222 SER . 19740 1 222 223 ILE . 19740 1 223 224 VAL . 19740 1 224 225 ALA . 19740 1 225 226 ASN . 19740 1 226 227 GLY . 19740 1 227 228 GLN . 19740 1 228 229 VAL . 19740 1 229 230 ASN . 19740 1 230 231 GLY . 19740 1 231 232 ARG . 19740 1 232 233 PRO . 19740 1 233 234 ILE . 19740 1 234 235 THR . 19740 1 235 236 SER . 19740 1 236 237 ASP . 19740 1 237 238 GLU . 19740 1 238 239 ALA . 19740 1 239 240 LYS . 19740 1 240 241 ARG . 19740 1 241 242 MET . 19740 1 242 243 CYS . 19740 1 243 244 GLY . 19740 1 244 245 LEU . 19740 1 245 246 LEU . 19740 1 246 247 LEU . 19740 1 247 248 VAL . 19740 1 248 249 GLY . 19740 1 249 250 GLY . 19740 1 250 251 LEU . 19740 1 251 252 ASP . 19740 1 252 253 THR . 19740 1 253 254 VAL . 19740 1 254 255 VAL . 19740 1 255 256 ASN . 19740 1 256 257 PHE . 19740 1 257 258 LEU . 19740 1 258 259 SER . 19740 1 259 260 PHE . 19740 1 260 261 SER . 19740 1 261 262 MET . 19740 1 262 263 GLU . 19740 1 263 264 PHE . 19740 1 264 265 LEU . 19740 1 265 266 ALA . 19740 1 266 267 LYS . 19740 1 267 268 SER . 19740 1 268 269 PRO . 19740 1 269 270 GLU . 19740 1 270 271 HIS . 19740 1 271 272 ARG . 19740 1 272 273 GLN . 19740 1 273 274 GLU . 19740 1 274 275 LEU . 19740 1 275 276 ILE . 19740 1 276 277 GLU . 19740 1 277 278 ARG . 19740 1 278 279 PRO . 19740 1 279 280 GLU . 19740 1 280 281 ARG . 19740 1 281 282 ILE . 19740 1 282 283 PRO . 19740 1 283 284 ALA . 19740 1 284 285 ALA . 19740 1 285 286 CYS . 19740 1 286 287 GLU . 19740 1 287 288 GLU . 19740 1 288 289 LEU . 19740 1 289 290 LEU . 19740 1 290 291 ARG . 19740 1 291 292 ARG . 19740 1 292 293 PHE . 19740 1 293 294 SER . 19740 1 294 295 LEU . 19740 1 295 296 VAL . 19740 1 296 297 ALA . 19740 1 297 298 ASP . 19740 1 298 299 GLY . 19740 1 299 300 ARG . 19740 1 300 301 ILE . 19740 1 301 302 LEU . 19740 1 302 303 THR . 19740 1 303 304 SER . 19740 1 304 305 ASP . 19740 1 305 306 TYR . 19740 1 306 307 GLU . 19740 1 307 308 PHE . 19740 1 308 309 HIS . 19740 1 309 310 GLY . 19740 1 310 311 VAL . 19740 1 311 312 GLN . 19740 1 312 313 LEU . 19740 1 313 314 LYS . 19740 1 314 315 LYS . 19740 1 315 316 GLY . 19740 1 316 317 ASP . 19740 1 317 318 GLN . 19740 1 318 319 ILE . 19740 1 319 320 LEU . 19740 1 320 321 LEU . 19740 1 321 322 PRO . 19740 1 322 323 GLN . 19740 1 323 324 MET . 19740 1 324 325 LEU . 19740 1 325 326 SER . 19740 1 326 327 GLY . 19740 1 327 328 LEU . 19740 1 328 329 ASP . 19740 1 329 330 GLU . 19740 1 330 331 ARG . 19740 1 331 332 GLU . 19740 1 332 333 ASN . 19740 1 333 334 ALA . 19740 1 334 335 ALA . 19740 1 335 336 PRO . 19740 1 336 337 MET . 19740 1 337 338 HIS . 19740 1 338 339 VAL . 19740 1 339 340 ASP . 19740 1 340 341 PHE . 19740 1 341 342 SER . 19740 1 342 343 ARG . 19740 1 343 344 GLN . 19740 1 344 345 LYS . 19740 1 345 346 VAL . 19740 1 346 347 SER . 19740 1 347 348 HIS . 19740 1 348 349 THR . 19740 1 349 350 THR . 19740 1 350 351 PHE . 19740 1 351 352 GLY . 19740 1 352 353 HIS . 19740 1 353 354 GLY . 19740 1 354 355 SER . 19740 1 355 356 HIS . 19740 1 356 357 LEU . 19740 1 357 358 CYS . 19740 1 358 359 LEU . 19740 1 359 360 GLY . 19740 1 360 361 GLN . 19740 1 361 362 HIS . 19740 1 362 363 LEU . 19740 1 363 364 ALA . 19740 1 364 365 ARG . 19740 1 365 366 ARG . 19740 1 366 367 GLU . 19740 1 367 368 ILE . 19740 1 368 369 ILE . 19740 1 369 370 VAL . 19740 1 370 371 THR . 19740 1 371 372 LEU . 19740 1 372 373 LYS . 19740 1 373 374 GLU . 19740 1 374 375 TRP . 19740 1 375 376 LEU . 19740 1 376 377 THR . 19740 1 377 378 ARG . 19740 1 378 379 ILE . 19740 1 379 380 PRO . 19740 1 380 381 ASP . 19740 1 381 382 PHE . 19740 1 382 383 SER . 19740 1 383 384 ILE . 19740 1 384 385 ALA . 19740 1 385 386 PRO . 19740 1 386 387 GLY . 19740 1 387 388 ALA . 19740 1 388 389 GLN . 19740 1 389 390 ILE . 19740 1 390 391 GLN . 19740 1 391 392 HIS . 19740 1 392 393 LYS . 19740 1 393 394 SER . 19740 1 394 395 GLY . 19740 1 395 396 ILE . 19740 1 396 397 VAL . 19740 1 397 398 SER . 19740 1 398 399 GLY . 19740 1 399 400 VAL . 19740 1 400 401 GLN . 19740 1 401 402 ALA . 19740 1 402 403 LEU . 19740 1 403 404 PRO . 19740 1 404 405 LEU . 19740 1 405 406 VAL . 19740 1 406 407 TRP . 19740 1 407 408 ASP . 19740 1 408 409 PRO . 19740 1 409 410 ALA . 19740 1 410 411 THR . 19740 1 411 412 THR . 19740 1 412 413 LYS . 19740 1 413 414 ALA . 19740 1 414 415 VAL . 19740 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 19740 1 . THR 2 2 19740 1 . GLU 3 3 19740 1 . THR 4 4 19740 1 . ILE 5 5 19740 1 . GLN 6 6 19740 1 . SER 7 7 19740 1 . ASN 8 8 19740 1 . ALA 9 9 19740 1 . ASN 10 10 19740 1 . LEU 11 11 19740 1 . ALA 12 12 19740 1 . PRO 13 13 19740 1 . LEU 14 14 19740 1 . PRO 15 15 19740 1 . PRO 16 16 19740 1 . HIS 17 17 19740 1 . VAL 18 18 19740 1 . PRO 19 19 19740 1 . GLU 20 20 19740 1 . HIS 21 21 19740 1 . LEU 22 22 19740 1 . VAL 23 23 19740 1 . PHE 24 24 19740 1 . ASP 25 25 19740 1 . PHE 26 26 19740 1 . ASP 27 27 19740 1 . MET 28 28 19740 1 . TYR 29 29 19740 1 . ASN 30 30 19740 1 . PRO 31 31 19740 1 . SER 32 32 19740 1 . ASN 33 33 19740 1 . LEU 34 34 19740 1 . SER 35 35 19740 1 . ALA 36 36 19740 1 . GLY 37 37 19740 1 . VAL 38 38 19740 1 . GLN 39 39 19740 1 . GLU 40 40 19740 1 . ALA 41 41 19740 1 . TRP 42 42 19740 1 . ALA 43 43 19740 1 . VAL 44 44 19740 1 . LEU 45 45 19740 1 . GLN 46 46 19740 1 . GLU 47 47 19740 1 . SER 48 48 19740 1 . ASN 49 49 19740 1 . VAL 50 50 19740 1 . PRO 51 51 19740 1 . ASP 52 52 19740 1 . LEU 53 53 19740 1 . VAL 54 54 19740 1 . TRP 55 55 19740 1 . THR 56 56 19740 1 . ARG 57 57 19740 1 . CYS 58 58 19740 1 . ASN 59 59 19740 1 . GLY 60 60 19740 1 . GLY 61 61 19740 1 . HIS 62 62 19740 1 . TRP 63 63 19740 1 . ILE 64 64 19740 1 . ALA 65 65 19740 1 . THR 66 66 19740 1 . ARG 67 67 19740 1 . GLY 68 68 19740 1 . GLN 69 69 19740 1 . LEU 70 70 19740 1 . ILE 71 71 19740 1 . ARG 72 72 19740 1 . GLU 73 73 19740 1 . ALA 74 74 19740 1 . TYR 75 75 19740 1 . GLU 76 76 19740 1 . ASP 77 77 19740 1 . TYR 78 78 19740 1 . ARG 79 79 19740 1 . HIS 80 80 19740 1 . PHE 81 81 19740 1 . SER 82 82 19740 1 . SER 83 83 19740 1 . GLU 84 84 19740 1 . CYS 85 85 19740 1 . PRO 86 86 19740 1 . PHE 87 87 19740 1 . ILE 88 88 19740 1 . PRO 89 89 19740 1 . ARG 90 90 19740 1 . GLU 91 91 19740 1 . ALA 92 92 19740 1 . GLY 93 93 19740 1 . GLU 94 94 19740 1 . ALA 95 95 19740 1 . TYR 96 96 19740 1 . ASP 97 97 19740 1 . PHE 98 98 19740 1 . ILE 99 99 19740 1 . PRO 100 100 19740 1 . THR 101 101 19740 1 . SER 102 102 19740 1 . MET 103 103 19740 1 . ASP 104 104 19740 1 . PRO 105 105 19740 1 . PRO 106 106 19740 1 . GLU 107 107 19740 1 . GLN 108 108 19740 1 . ARG 109 109 19740 1 . GLN 110 110 19740 1 . PHE 111 111 19740 1 . ARG 112 112 19740 1 . ALA 113 113 19740 1 . LEU 114 114 19740 1 . ALA 115 115 19740 1 . ASN 116 116 19740 1 . GLN 117 117 19740 1 . VAL 118 118 19740 1 . VAL 119 119 19740 1 . GLY 120 120 19740 1 . MET 121 121 19740 1 . PRO 122 122 19740 1 . VAL 123 123 19740 1 . VAL 124 124 19740 1 . ASP 125 125 19740 1 . LYS 126 126 19740 1 . LEU 127 127 19740 1 . GLU 128 128 19740 1 . ASN 129 129 19740 1 . ARG 130 130 19740 1 . ILE 131 131 19740 1 . GLN 132 132 19740 1 . GLU 133 133 19740 1 . LEU 134 134 19740 1 . ALA 135 135 19740 1 . CYS 136 136 19740 1 . SER 137 137 19740 1 . LEU 138 138 19740 1 . ILE 139 139 19740 1 . GLU 140 140 19740 1 . SER 141 141 19740 1 . LEU 142 142 19740 1 . ARG 143 143 19740 1 . PRO 144 144 19740 1 . GLN 145 145 19740 1 . GLY 146 146 19740 1 . GLN 147 147 19740 1 . CYS 148 148 19740 1 . ASN 149 149 19740 1 . PHE 150 150 19740 1 . THR 151 151 19740 1 . GLU 152 152 19740 1 . ASP 153 153 19740 1 . TYR 154 154 19740 1 . ALA 155 155 19740 1 . GLU 156 156 19740 1 . PRO 157 157 19740 1 . PHE 158 158 19740 1 . PRO 159 159 19740 1 . ILE 160 160 19740 1 . ARG 161 161 19740 1 . ILE 162 162 19740 1 . PHE 163 163 19740 1 . MET 164 164 19740 1 . LEU 165 165 19740 1 . LEU 166 166 19740 1 . ALA 167 167 19740 1 . GLY 168 168 19740 1 . LEU 169 169 19740 1 . PRO 170 170 19740 1 . GLU 171 171 19740 1 . GLU 172 172 19740 1 . ASP 173 173 19740 1 . ILE 174 174 19740 1 . PRO 175 175 19740 1 . HIS 176 176 19740 1 . LEU 177 177 19740 1 . LYS 178 178 19740 1 . TYR 179 179 19740 1 . LEU 180 180 19740 1 . THR 181 181 19740 1 . ASP 182 182 19740 1 . GLN 183 183 19740 1 . MET 184 184 19740 1 . THR 185 185 19740 1 . ARG 186 186 19740 1 . PRO 187 187 19740 1 . ASP 188 188 19740 1 . GLY 189 189 19740 1 . SER 190 190 19740 1 . MET 191 191 19740 1 . THR 192 192 19740 1 . PHE 193 193 19740 1 . ALA 194 194 19740 1 . GLU 195 195 19740 1 . ALA 196 196 19740 1 . LYS 197 197 19740 1 . GLU 198 198 19740 1 . ALA 199 199 19740 1 . LEU 200 200 19740 1 . TYR 201 201 19740 1 . ASP 202 202 19740 1 . TYR 203 203 19740 1 . LEU 204 204 19740 1 . ILE 205 205 19740 1 . PRO 206 206 19740 1 . ILE 207 207 19740 1 . ILE 208 208 19740 1 . GLU 209 209 19740 1 . GLN 210 210 19740 1 . ARG 211 211 19740 1 . ARG 212 212 19740 1 . GLN 213 213 19740 1 . LYS 214 214 19740 1 . PRO 215 215 19740 1 . GLY 216 216 19740 1 . THR 217 217 19740 1 . ASP 218 218 19740 1 . ALA 219 219 19740 1 . ILE 220 220 19740 1 . SER 221 221 19740 1 . ILE 222 222 19740 1 . VAL 223 223 19740 1 . ALA 224 224 19740 1 . ASN 225 225 19740 1 . GLY 226 226 19740 1 . GLN 227 227 19740 1 . VAL 228 228 19740 1 . ASN 229 229 19740 1 . GLY 230 230 19740 1 . ARG 231 231 19740 1 . PRO 232 232 19740 1 . ILE 233 233 19740 1 . THR 234 234 19740 1 . SER 235 235 19740 1 . ASP 236 236 19740 1 . GLU 237 237 19740 1 . ALA 238 238 19740 1 . LYS 239 239 19740 1 . ARG 240 240 19740 1 . MET 241 241 19740 1 . CYS 242 242 19740 1 . GLY 243 243 19740 1 . LEU 244 244 19740 1 . LEU 245 245 19740 1 . LEU 246 246 19740 1 . VAL 247 247 19740 1 . GLY 248 248 19740 1 . GLY 249 249 19740 1 . LEU 250 250 19740 1 . ASP 251 251 19740 1 . THR 252 252 19740 1 . VAL 253 253 19740 1 . VAL 254 254 19740 1 . ASN 255 255 19740 1 . PHE 256 256 19740 1 . LEU 257 257 19740 1 . SER 258 258 19740 1 . PHE 259 259 19740 1 . SER 260 260 19740 1 . MET 261 261 19740 1 . GLU 262 262 19740 1 . PHE 263 263 19740 1 . LEU 264 264 19740 1 . ALA 265 265 19740 1 . LYS 266 266 19740 1 . SER 267 267 19740 1 . PRO 268 268 19740 1 . GLU 269 269 19740 1 . HIS 270 270 19740 1 . ARG 271 271 19740 1 . GLN 272 272 19740 1 . GLU 273 273 19740 1 . LEU 274 274 19740 1 . ILE 275 275 19740 1 . GLU 276 276 19740 1 . ARG 277 277 19740 1 . PRO 278 278 19740 1 . GLU 279 279 19740 1 . ARG 280 280 19740 1 . ILE 281 281 19740 1 . PRO 282 282 19740 1 . ALA 283 283 19740 1 . ALA 284 284 19740 1 . CYS 285 285 19740 1 . GLU 286 286 19740 1 . GLU 287 287 19740 1 . LEU 288 288 19740 1 . LEU 289 289 19740 1 . ARG 290 290 19740 1 . ARG 291 291 19740 1 . PHE 292 292 19740 1 . SER 293 293 19740 1 . LEU 294 294 19740 1 . VAL 295 295 19740 1 . ALA 296 296 19740 1 . ASP 297 297 19740 1 . GLY 298 298 19740 1 . ARG 299 299 19740 1 . ILE 300 300 19740 1 . LEU 301 301 19740 1 . THR 302 302 19740 1 . SER 303 303 19740 1 . ASP 304 304 19740 1 . TYR 305 305 19740 1 . GLU 306 306 19740 1 . PHE 307 307 19740 1 . HIS 308 308 19740 1 . GLY 309 309 19740 1 . VAL 310 310 19740 1 . GLN 311 311 19740 1 . LEU 312 312 19740 1 . LYS 313 313 19740 1 . LYS 314 314 19740 1 . GLY 315 315 19740 1 . ASP 316 316 19740 1 . GLN 317 317 19740 1 . ILE 318 318 19740 1 . LEU 319 319 19740 1 . LEU 320 320 19740 1 . PRO 321 321 19740 1 . GLN 322 322 19740 1 . MET 323 323 19740 1 . LEU 324 324 19740 1 . SER 325 325 19740 1 . GLY 326 326 19740 1 . LEU 327 327 19740 1 . ASP 328 328 19740 1 . GLU 329 329 19740 1 . ARG 330 330 19740 1 . GLU 331 331 19740 1 . ASN 332 332 19740 1 . ALA 333 333 19740 1 . ALA 334 334 19740 1 . PRO 335 335 19740 1 . MET 336 336 19740 1 . HIS 337 337 19740 1 . VAL 338 338 19740 1 . ASP 339 339 19740 1 . PHE 340 340 19740 1 . SER 341 341 19740 1 . ARG 342 342 19740 1 . GLN 343 343 19740 1 . LYS 344 344 19740 1 . VAL 345 345 19740 1 . SER 346 346 19740 1 . HIS 347 347 19740 1 . THR 348 348 19740 1 . THR 349 349 19740 1 . PHE 350 350 19740 1 . GLY 351 351 19740 1 . HIS 352 352 19740 1 . GLY 353 353 19740 1 . SER 354 354 19740 1 . HIS 355 355 19740 1 . LEU 356 356 19740 1 . CYS 357 357 19740 1 . LEU 358 358 19740 1 . GLY 359 359 19740 1 . GLN 360 360 19740 1 . HIS 361 361 19740 1 . LEU 362 362 19740 1 . ALA 363 363 19740 1 . ARG 364 364 19740 1 . ARG 365 365 19740 1 . GLU 366 366 19740 1 . ILE 367 367 19740 1 . ILE 368 368 19740 1 . VAL 369 369 19740 1 . THR 370 370 19740 1 . LEU 371 371 19740 1 . LYS 372 372 19740 1 . GLU 373 373 19740 1 . TRP 374 374 19740 1 . LEU 375 375 19740 1 . THR 376 376 19740 1 . ARG 377 377 19740 1 . ILE 378 378 19740 1 . PRO 379 379 19740 1 . ASP 380 380 19740 1 . PHE 381 381 19740 1 . SER 382 382 19740 1 . ILE 383 383 19740 1 . ALA 384 384 19740 1 . PRO 385 385 19740 1 . GLY 386 386 19740 1 . ALA 387 387 19740 1 . GLN 388 388 19740 1 . ILE 389 389 19740 1 . GLN 390 390 19740 1 . HIS 391 391 19740 1 . LYS 392 392 19740 1 . SER 393 393 19740 1 . GLY 394 394 19740 1 . ILE 395 395 19740 1 . VAL 396 396 19740 1 . SER 397 397 19740 1 . GLY 398 398 19740 1 . VAL 399 399 19740 1 . GLN 400 400 19740 1 . ALA 401 401 19740 1 . LEU 402 402 19740 1 . PRO 403 403 19740 1 . LEU 404 404 19740 1 . VAL 405 405 19740 1 . TRP 406 406 19740 1 . ASP 407 407 19740 1 . PRO 408 408 19740 1 . ALA 409 409 19740 1 . THR 410 410 19740 1 . THR 411 411 19740 1 . LYS 412 412 19740 1 . ALA 413 413 19740 1 . VAL 414 414 19740 1 stop_ save_ save_entity_HEM _Entity.Sf_category entity _Entity.Sf_framecode entity_HEM _Entity.Entry_ID 19740 _Entity.ID 2 _Entity.BMRB_code HEM _Entity.Name entity_HEM _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HEM _Entity.Nonpolymer_comp_label $chem_comp_HEM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 616.487 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PROTOPORPHYRIN IX CONTAINING FE' BMRB 19740 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PROTOPORPHYRIN IX CONTAINING FE' BMRB 19740 2 HEM 'Three letter code' 19740 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 HEM $chem_comp_HEM 19740 2 stop_ save_ save_entity_CAM _Entity.Sf_category entity _Entity.Sf_framecode entity_CAM _Entity.Entry_ID 19740 _Entity.ID 3 _Entity.BMRB_code CAM _Entity.Name entity_CAM _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CAM _Entity.Nonpolymer_comp_label $chem_comp_CAM _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 152.233 _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 CAMPHOR BMRB 19740 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID CAMPHOR BMRB 19740 3 CAM 'Three letter code' 19740 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 CAM $chem_comp_CAM 19740 3 stop_ save_ save_entity_CYN _Entity.Sf_category entity _Entity.Sf_framecode entity_CYN _Entity.Entry_ID 19740 _Entity.ID 4 _Entity.BMRB_code CYN _Entity.Name 'CYANIDE ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CYN _Entity.Nonpolymer_comp_label $chem_comp_CYN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _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 19740 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CYANIDE ION' BMRB 19740 4 CYN 'Three letter code' 19740 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 CYN $chem_comp_CYN 19740 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 19740 _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' 'Pseudomonas putida' . . Bacteria . Pseudomonas putida . . . . . . . . . . . . . 19740 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 19740 _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' 19740 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HEM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HEM _Chem_comp.Entry_ID 19740 _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 19740 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 19740 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 19740 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 19740 HEM FEDYMSUPMFCVOD-UJJXFSCMSA-N InChIKey InChI 1.02 19740 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 19740 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 19740 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 19740 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 19740 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 . 19740 HEM CHB CHB CHB CHB . C . . N 0 . . . 1 yes no . . . . 3.258 . -17.744 . 35.477 . 1.458 -3.419 0.306 2 . 19740 HEM CHC CHC CHC CHC . C . . N 0 . . . 1 yes no . . . . 1.703 . -21.900 . 33.637 . 4.701 0.169 -0.069 3 . 19740 HEM CHD CHD CHD CHD . C . . N 0 . . . 1 yes no . . . . 1.149 . -23.677 . 38.059 . 1.075 3.460 0.018 4 . 19740 HEM C1A C1A C1A C1A . C . . N 0 . . . 1 yes no . . . . 3.031 . -18.673 . 38.872 . -1.436 -1.305 0.380 5 . 19740 HEM C2A C2A C2A C2A . C . . N 0 . . . 1 yes no . . . . 3.578 . -17.325 . 39.013 . -2.015 -2.587 0.320 6 . 19740 HEM C3A C3A C3A C3A . C . . N 0 . . . 1 yes no . . . . 3.705 . -16.820 . 37.785 . -1.009 -3.500 0.270 7 . 19740 HEM C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 3.256 . -17.863 . 36.862 . 0.216 -2.803 0.298 8 . 19740 HEM CMA CMA CMA CMA . C . . N 0 . . . 1 no no . . . . 4.227 . -15.469 . 37.393 . -1.175 -4.996 0.197 9 . 19740 HEM CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . 3.945 . -16.670 . 40.296 . -3.490 -2.893 0.314 10 . 19740 HEM CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . 5.391 . -17.138 . 40.581 . -3.998 -2.926 -1.129 11 . 19740 HEM CGA CGA CGA CGA . C . . N 0 . . . 1 no no . . . . 6.095 . -16.663 . 41.825 . -5.473 -3.232 -1.136 12 . 19740 HEM O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 7.098 . -15.928 . 41.683 . -6.059 -3.405 -0.094 13 . 19740 HEM O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 5.657 . -17.040 . 42.940 . -6.137 -3.311 -2.300 14 . 19740 HEM C1B C1B C1B C1B . C . . N 0 . . . 1 yes no . . . . 2.888 . -18.698 . 34.579 . 2.664 -2.707 0.308 15 . 19740 HEM C2B C2B C2B C2B . C . . N 0 . . . 1 yes no . . . . 2.933 . -18.535 . 33.146 . 3.937 -3.328 0.418 16 . 19740 HEM C3B C3B C3B C3B . C . . N 0 . . . 1 yes no . . . . 2.499 . -19.716 . 32.632 . 4.874 -2.341 0.314 17 . 19740 HEM C4B C4B C4B C4B . C . . N 0 . . . 1 yes no . . . . 2.187 . -20.580 . 33.743 . 4.117 -1.079 0.139 18 . 19740 HEM CMB CMB CMB CMB . C . . N 0 . . . 1 no no . . . . 3.391 . -17.290 . 32.422 . 4.203 -4.798 0.613 19 . 19740 HEM CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 2.345 . -20.140 . 31.217 . 6.339 -2.497 0.365 20 . 19740 HEM CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . 1.755 . -19.492 . 30.233 . 6.935 -3.419 -0.385 21 . 19740 HEM C1C C1C C1C C1C . C . . N 0 . . . 1 yes no . . . . 1.395 . -22.786 . 34.659 . 3.964 1.345 -0.174 22 . 19740 HEM C2C C2C C2C C2C . C . . N 0 . . . 1 yes no . . . . 0.854 . -24.130 . 34.500 . 4.531 2.601 -0.445 23 . 19740 HEM C3C C3C C3C C3C . C . . N 0 . . . 1 yes no . . . . 0.689 . -24.626 . 35.757 . 3.510 3.536 -0.437 24 . 19740 HEM C4C C4C C4C C4C . C . . N 0 . . . 1 yes no . . . . 1.139 . -23.583 . 36.674 . 2.304 2.846 -0.139 25 . 19740 HEM CMC CMC CMC CMC . C . . N 0 . . . 1 no no . . . . 0.550 . -24.782 . 33.175 . 5.991 2.880 -0.697 26 . 19740 HEM CAC CAC CAC CAC . C . . N 0 . . . 1 no no . . . . 0.164 . -25.943 . 36.196 . 3.649 4.981 -0.692 27 . 19740 HEM CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 0.498 . -27.158 . 35.750 . 4.201 5.407 -1.823 28 . 19740 HEM C1D C1D C1D C1D . C . . N 0 . . . 1 yes no . . . . 1.550 . -22.718 . 38.980 . -0.102 2.753 0.298 29 . 19740 HEM C2D C2D C2D C2D . C . . N 0 . . . 1 yes no . . . . 1.513 . -22.879 . 40.415 . -1.382 3.388 0.641 30 . 19740 HEM C3D C3D C3D C3D . C . . N 0 . . . 1 yes no . . . . 1.951 . -21.691 . 40.929 . -2.283 2.389 0.774 31 . 19740 HEM C4D C4D C4D C4D . C . . N 0 . . . 1 yes no . . . . 2.277 . -20.826 . 39.811 . -1.561 1.137 0.511 32 . 19740 HEM CMD CMD CMD CMD . C . . N 0 . . . 1 no no . . . . 1.055 . -24.094 . 41.156 . -1.639 4.863 0.811 33 . 19740 HEM CAD CAD CAD CAD . C . . N 0 . . . 1 no no . . . . 2.048 . -21.326 . 42.352 . -3.741 2.532 1.123 34 . 19740 HEM CBD CBD CBD CBD . C . . N 0 . . . 1 no no . . . . 0.741 . -20.498 . 42.530 . -4.573 2.563 -0.160 35 . 19740 HEM CGD CGD CGD CGD . C . . N 0 . . . 1 no no . . . . 0.578 . -19.987 . 43.892 . -6.032 2.706 0.189 36 . 19740 HEM O1D O1D O1D O1D . O . . N 0 . . . 1 no no . . . . 1.387 . -19.103 . 44.303 . -6.372 2.776 1.347 37 . 19740 HEM O2D O2D O2D O2D . O . . N 0 . . . 1 no no . . . . -0.401 . -20.468 . 44.537 . -6.954 2.755 -0.785 38 . 19740 HEM NA NA NA NA . N . . N 0 . . . 1 yes no . . . . 2.863 . -18.969 . 37.554 . -0.068 -1.456 0.321 39 . 19740 HEM NB NB NB NB . N . . N 0 . . . 1 yes no . . . . 2.439 . -19.944 . 34.911 . 2.820 -1.386 0.207 40 . 19740 HEM NC NC NC NC . N . . N 0 . . . 1 yes no . . . . 1.537 . -22.509 . 35.976 . 2.604 1.506 -0.033 41 . 19740 HEM ND ND ND ND . N . . N 0 . . . 1 yes no . . . . 2.008 . -21.465 . 38.663 . -0.276 1.431 0.298 42 . 19740 HEM FE FE FE FE . FE . . S 0 . . . 0 no no . . . . 2.196 . -20.749 . 36.814 . 1.010 0.157 -0.060 43 . 19740 HEM HHB HHB HHB HHB . H . . N 0 . . . 1 no no . . . . 3.587 . -16.798 . 35.072 . 1.498 -4.508 0.309 44 . 19740 HEM HHC HHC HHC HHC . H . . N 0 . . . 1 no no . . . . 1.553 . -22.268 . 32.633 . 5.786 0.229 -0.153 45 . 19740 HEM HHD HHD HHD HHD . H . . N 0 . . . 1 no no . . . . 0.802 . -24.613 . 38.472 . 1.018 4.543 -0.083 46 . 19740 HEM HMA HMA HMA HMA . H . . N 0 . . . 1 no no . . . . 5.316 . -15.524 . 37.249 . -1.220 -5.306 -0.847 47 . 19740 HEM HMAA HMAA HMAA HMAA . H . . N 0 . . . 0 no no . . . . 3.749 . -15.149 . 36.455 . -0.328 -5.480 0.683 48 . 19740 HEM HMAB HMAB HMAB HMAB . H . . N 0 . . . 0 no no . . . . 3.998 . -14.743 . 38.187 . -2.097 -5.285 0.702 49 . 19740 HEM HAA HAA HAA HAA . H . . N 0 . . . 1 no no . . . . 3.894 . -15.575 . 40.209 . -3.662 -3.862 0.782 50 . 19740 HEM HAAA HAAA HAAA HAAA . H . . N 0 . . . 0 no no . . . . 3.264 . -16.976 . 41.104 . -4.024 -2.121 0.869 51 . 19740 HEM HBA HBA HBA HBA . H . . N 0 . . . 1 no no . . . . 5.351 . -18.235 . 40.650 . -3.825 -1.956 -1.597 52 . 19740 HEM HBAA HBAA HBAA HBAA . H . . N 0 . . . 0 no no . . . . 5.999 . -16.792 . 39.732 . -3.464 -3.697 -1.684 53 . 19740 HEM HMB HMB HMB HMB . H . . N 0 . . . 1 no no . . . . 3.319 . -17.449 . 31.336 . 3.256 -5.336 0.660 54 . 19740 HEM HMBA HMBA HMBA HMBA . H . . N 0 . . . 0 no no . . . . 2.753 . -16.442 . 32.711 . 4.794 -5.175 -0.222 55 . 19740 HEM HMBB HMBB HMBB HMBB . H . . N 0 . . . 0 no no . . . . 4.435 . -17.072 . 32.692 . 4.752 -4.948 1.543 56 . 19740 HEM HAB HAB HAB HAB . H . . N 0 . . . 1 no no . . . . 2.770 . -21.100 . 30.963 . 6.927 -1.863 1.011 57 . 19740 HEM HBB HBB HBB HBB . H . . N 0 . . . 1 no no . . . . 1.719 . -19.927 . 29.245 . 7.994 -3.600 -0.277 58 . 19740 HEM HBBA HBBA HBBA HBBA . H . . N 0 . . . 0 no no . . . . 1.308 . -18.526 . 30.414 . 6.360 -3.987 -1.102 59 . 19740 HEM HMC HMC HMC HMC . H . . N 0 . . . 1 no no . . . . 1.438 . -25.328 . 32.822 . 6.554 1.949 -0.639 60 . 19740 HEM HMCA HMCA HMCA HMCA . H . . N 0 . . . 0 no no . . . . -0.288 . -25.484 . 33.296 . 6.110 3.316 -1.689 61 . 19740 HEM HMCB HMCB HMCB HMCB . H . . N 0 . . . 0 no no . . . . 0.278 . -24.010 . 32.440 . 6.362 3.578 0.053 62 . 19740 HEM HAC HAC HAC HAC . H . . N 0 . . . 1 no no . . . . -0.583 . -25.916 . 36.975 . 3.303 5.694 0.042 63 . 19740 HEM HBC HBC HBC HBC . H . . N 0 . . . 1 no no . . . . 0.027 . -28.035 . 36.169 . 4.614 4.696 -2.523 64 . 19740 HEM HBCA HBCA HBCA HBCA . H . . N 0 . . . 0 no no . . . . 1.239 . -27.263 . 34.971 . 4.235 6.464 -2.043 65 . 19740 HEM HMD HMD HMD HMD . H . . N 0 . . . 1 no no . . . . 1.142 . -23.919 . 42.238 . -0.715 5.415 0.639 66 . 19740 HEM HMDA HMDA HMDA HMDA . H . . N 0 . . . 0 no no . . . . 0.006 . -24.304 . 40.902 . -2.394 5.185 0.094 67 . 19740 HEM HMDB HMDB HMDB HMDB . H . . N 0 . . . 0 no no . . . . 1.680 . -24.954 . 40.872 . -1.994 5.055 1.824 68 . 19740 HEM HAD HAD HAD HAD . H . . N 0 . . . 1 no no . . . . 2.081 . -22.206 . 43.011 . -4.052 1.687 1.738 69 . 19740 HEM HADA HADA HADA HADA . H . . N 0 . . . 0 no no . . . . 2.951 . -20.739 . 42.575 . -3.893 3.459 1.677 70 . 19740 HEM HBD HBD HBD HBD . H . . N 0 . . . 1 no no . . . . 0.775 . -19.642 . 41.839 . -4.262 3.408 -0.775 71 . 19740 HEM HBDA HBDA HBDA HBDA . H . . N 0 . . . 0 no no . . . . -0.116 . -21.147 . 42.297 . -4.421 1.636 -0.714 72 . 19740 HEM H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 6.201 . -16.682 . 43.632 . -7.082 -3.510 -2.254 73 . 19740 HEM H2D H2D H2D H2D . H . . N 0 . . . 1 no no . . . . -0.445 . -20.063 . 45.395 . -7.877 2.847 -0.512 74 . 19740 HEM HHA HHA HHA HHA . H . . N 0 . . . 1 no no . . . . 2.913 . -19.150 . 40.893 . -3.246 -0.188 0.567 75 . 19740 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 . 19740 HEM 2 . DOUB CHA C4D yes N 2 . 19740 HEM 3 . SING CHA HHA no N 3 . 19740 HEM 4 . SING CHB C4A yes N 4 . 19740 HEM 5 . DOUB CHB C1B yes N 5 . 19740 HEM 6 . SING CHB HHB no N 6 . 19740 HEM 7 . SING CHC C4B yes N 7 . 19740 HEM 8 . DOUB CHC C1C yes N 8 . 19740 HEM 9 . SING CHC HHC no N 9 . 19740 HEM 10 . DOUB CHD C4C yes N 10 . 19740 HEM 11 . SING CHD C1D yes N 11 . 19740 HEM 12 . SING CHD HHD no N 12 . 19740 HEM 13 . DOUB C1A C2A yes N 13 . 19740 HEM 14 . SING C1A NA yes N 14 . 19740 HEM 15 . SING C2A C3A yes N 15 . 19740 HEM 16 . SING C2A CAA no N 16 . 19740 HEM 17 . DOUB C3A C4A yes N 17 . 19740 HEM 18 . SING C3A CMA no N 18 . 19740 HEM 19 . SING C4A NA yes N 19 . 19740 HEM 20 . SING CMA HMA no N 20 . 19740 HEM 21 . SING CMA HMAA no N 21 . 19740 HEM 22 . SING CMA HMAB no N 22 . 19740 HEM 23 . SING CAA CBA no N 23 . 19740 HEM 24 . SING CAA HAA no N 24 . 19740 HEM 25 . SING CAA HAAA no N 25 . 19740 HEM 26 . SING CBA CGA no N 26 . 19740 HEM 27 . SING CBA HBA no N 27 . 19740 HEM 28 . SING CBA HBAA no N 28 . 19740 HEM 29 . DOUB CGA O1A no N 29 . 19740 HEM 30 . SING CGA O2A no N 30 . 19740 HEM 31 . SING C1B C2B no N 31 . 19740 HEM 32 . SING C1B NB yes N 32 . 19740 HEM 33 . DOUB C2B C3B yes N 33 . 19740 HEM 34 . SING C2B CMB yes N 34 . 19740 HEM 35 . SING C3B C4B no N 35 . 19740 HEM 36 . SING C3B CAB yes N 36 . 19740 HEM 37 . DOUB C4B NB no N 37 . 19740 HEM 38 . SING CMB HMB yes N 38 . 19740 HEM 39 . SING CMB HMBA no N 39 . 19740 HEM 40 . SING CMB HMBB no N 40 . 19740 HEM 41 . DOUB CAB CBB no N 41 . 19740 HEM 42 . SING CAB HAB no N 42 . 19740 HEM 43 . SING CBB HBB no N 43 . 19740 HEM 44 . SING CBB HBBA no N 44 . 19740 HEM 45 . SING C1C C2C no N 45 . 19740 HEM 46 . SING C1C NC yes N 46 . 19740 HEM 47 . DOUB C2C C3C yes N 47 . 19740 HEM 48 . SING C2C CMC yes N 48 . 19740 HEM 49 . SING C3C C4C no N 49 . 19740 HEM 50 . SING C3C CAC yes N 50 . 19740 HEM 51 . SING C4C NC no N 51 . 19740 HEM 52 . SING CMC HMC yes N 52 . 19740 HEM 53 . SING CMC HMCA no N 53 . 19740 HEM 54 . SING CMC HMCB no N 54 . 19740 HEM 55 . DOUB CAC CBC no N 55 . 19740 HEM 56 . SING CAC HAC no N 56 . 19740 HEM 57 . SING CBC HBC no N 57 . 19740 HEM 58 . SING CBC HBCA no N 58 . 19740 HEM 59 . SING C1D C2D no N 59 . 19740 HEM 60 . DOUB C1D ND yes N 60 . 19740 HEM 61 . DOUB C2D C3D yes N 61 . 19740 HEM 62 . SING C2D CMD yes N 62 . 19740 HEM 63 . SING C3D C4D no N 63 . 19740 HEM 64 . SING C3D CAD yes N 64 . 19740 HEM 65 . SING C4D ND no N 65 . 19740 HEM 66 . SING CMD HMD yes N 66 . 19740 HEM 67 . SING CMD HMDA no N 67 . 19740 HEM 68 . SING CMD HMDB no N 68 . 19740 HEM 69 . SING CAD CBD no N 69 . 19740 HEM 70 . SING CAD HAD no N 70 . 19740 HEM 71 . SING CAD HADA no N 71 . 19740 HEM 72 . SING CBD CGD no N 72 . 19740 HEM 73 . SING CBD HBD no N 73 . 19740 HEM 74 . SING CBD HBDA no N 74 . 19740 HEM 75 . DOUB CGD O1D no N 75 . 19740 HEM 76 . SING CGD O2D no N 76 . 19740 HEM 77 . SING O2A H2A no N 77 . 19740 HEM 78 . SING O2D H2D no N 78 . 19740 HEM 79 . SING FE NA no N 79 . 19740 HEM 80 . SING FE NB no N 80 . 19740 HEM 81 . SING FE NC no N 81 . 19740 HEM 82 . SING FE ND no N 82 . 19740 HEM stop_ save_ save_chem_comp_CAM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CAM _Chem_comp.Entry_ID 19740 _Chem_comp.ID CAM _Chem_comp.Provenance PDB _Chem_comp.Name CAMPHOR _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CAM _Chem_comp.PDB_code CAM _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 CAM _Chem_comp.Number_atoms_all 27 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H16 O' _Chem_comp.Formula_weight 152.233 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 6CP4 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 SMILES_CANONICAL CACTVS 3.341 19740 CAM CC1(C)[CH]2CC[C]1(C)C(=O)C2 SMILES CACTVS 3.341 19740 CAM CC1(C2CCC1(C(=O)C2)C)C SMILES 'OpenEye OEToolkits' 1.5.0 19740 CAM CC1([C@@H]2CC[C@]1(C(=O)C2)C)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19740 CAM DSSYKIVIOFKYAU-XCBNKYQSSA-N InChIKey InChI 1.03 19740 CAM InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 InChI InChI 1.03 19740 CAM O=C1CC2CCC1(C)C2(C)C SMILES ACDLabs 10.04 19740 CAM stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one 'SYSTEMATIC NAME' ACDLabs 10.04 19740 CAM (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-one 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19740 CAM stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . R 0 . . . 1 no no . . . . 7.555 . 7.626 . 14.568 . -0.525 0.535 -0.253 1 . 19740 CAM C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 9.049 . 7.681 . 14.338 . 0.171 -0.172 -1.422 2 . 19740 CAM O O O O . O . . N 0 . . . 1 no no . . . . 9.869 . 7.674 . 15.253 . -0.138 -0.138 -2.589 3 . 19740 CAM C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 9.410 . 7.829 . 12.905 . 1.332 -0.943 -0.781 4 . 19740 CAM C4 C4 C4 C4 . C . . R 0 . . . 1 no no . . . . 7.974 . 7.821 . 12.357 . 1.247 -0.603 0.738 5 . 19740 CAM C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 7.442 . 6.364 . 12.568 . 1.657 0.897 0.841 6 . 19740 CAM C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 7.071 . 6.245 . 14.075 . 0.484 1.663 0.186 7 . 19740 CAM C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 7.205 . 8.569 . 13.435 . -0.308 -0.491 0.912 8 . 19740 CAM C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 7.795 . 10.001 . 13.656 . -1.014 -1.822 0.645 9 . 19740 CAM C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 5.685 . 8.565 . 13.158 . -0.694 0.091 2.273 10 . 19740 CAM C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 7.146 . 8.136 . 15.934 . -1.967 0.988 -0.492 11 . 19740 CAM H31 H31 H31 1H3 . H . . N 0 . . . 1 no no . . . . 10.055 . 8.695 . 12.629 . 2.285 -0.589 -1.175 12 . 19740 CAM H32 H32 H32 2H3 . H . . N 0 . . . 1 no no . . . . 10.121 . 7.083 . 12.479 . 1.221 -2.013 -0.959 13 . 19740 CAM H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 7.896 . 8.199 . 11.310 . 1.763 -1.288 1.411 14 . 19740 CAM H51 H51 H51 1H5 . H . . N 0 . . . 1 no no . . . . 6.603 . 6.096 . 11.883 . 1.767 1.191 1.885 15 . 19740 CAM H52 H52 H52 2H5 . H . . N 0 . . . 1 no no . . . . 8.155 . 5.578 . 12.225 . 2.582 1.078 0.294 16 . 19740 CAM H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 7.485 . 5.360 . 14.612 . 0.022 2.338 0.906 17 . 19740 CAM H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 6.008 . 5.990 . 14.298 . 0.832 2.217 -0.685 18 . 19740 CAM H81 H81 H81 1H8 . H . . N 0 . . . 1 no no . . . . 7.537 . 10.695 . 12.822 . -0.748 -2.537 1.424 19 . 19740 CAM H82 H82 H82 2H8 . H . . N 0 . . . 1 no no . . . . 7.481 . 10.419 . 14.640 . -2.093 -1.668 0.647 20 . 19740 CAM H83 H83 H83 3H8 . H . . N 0 . . . 1 no no . . . . 8.896 . 9.962 . 13.823 . -0.704 -2.210 -0.324 21 . 19740 CAM H91 H91 H91 1H9 . H . . N 0 . . . 1 no no . . . . 5.427 . 9.259 . 12.324 . -0.426 -0.613 3.060 22 . 19740 CAM H92 H92 H92 2H9 . H . . N 0 . . . 1 no no . . . . 5.305 . 7.534 . 12.966 . -0.162 1.030 2.430 23 . 19740 CAM H93 H93 H93 3H9 . H . . N 0 . . . 1 no no . . . . 5.099 . 8.793 . 14.078 . -1.768 0.274 2.299 24 . 19740 CAM H101 H101 H101 1H10 . H . . N 0 . . . 0 no no . . . . 6.044 . 8.095 . 16.103 . -1.988 1.725 -1.295 25 . 19740 CAM H102 H102 H102 2H10 . H . . N 0 . . . 0 no no . . . . 7.692 . 7.594 . 16.740 . -2.576 0.128 -0.772 26 . 19740 CAM H103 H103 H103 3H10 . H . . N 0 . . . 0 no no . . . . 7.537 . 9.165 . 16.107 . -2.365 1.433 0.419 27 . 19740 CAM stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 19740 CAM 2 . SING C1 C6 no N 2 . 19740 CAM 3 . SING C1 C7 no N 3 . 19740 CAM 4 . SING C1 C10 no N 4 . 19740 CAM 5 . DOUB C2 O no N 5 . 19740 CAM 6 . SING C2 C3 no N 6 . 19740 CAM 7 . SING C3 C4 no N 7 . 19740 CAM 8 . SING C3 H31 no N 8 . 19740 CAM 9 . SING C3 H32 no N 9 . 19740 CAM 10 . SING C4 C5 no N 10 . 19740 CAM 11 . SING C4 C7 no N 11 . 19740 CAM 12 . SING C4 H4 no N 12 . 19740 CAM 13 . SING C5 C6 no N 13 . 19740 CAM 14 . SING C5 H51 no N 14 . 19740 CAM 15 . SING C5 H52 no N 15 . 19740 CAM 16 . SING C6 H61 no N 16 . 19740 CAM 17 . SING C6 H62 no N 17 . 19740 CAM 18 . SING C7 C8 no N 18 . 19740 CAM 19 . SING C7 C9 no N 19 . 19740 CAM 20 . SING C8 H81 no N 20 . 19740 CAM 21 . SING C8 H82 no N 21 . 19740 CAM 22 . SING C8 H83 no N 22 . 19740 CAM 23 . SING C9 H91 no N 23 . 19740 CAM 24 . SING C9 H92 no N 24 . 19740 CAM 25 . SING C9 H93 no N 25 . 19740 CAM 26 . SING C10 H101 no N 26 . 19740 CAM 27 . SING C10 H102 no N 27 . 19740 CAM 28 . SING C10 H103 no N 28 . 19740 CAM stop_ save_ save_chem_comp_CYN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CYN _Chem_comp.Entry_ID 19740 _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 19740 CYN XFXPMWWXUTWYJX-UHFFFAOYSA-N InChIKey InChI 1.03 19740 CYN [C-]#N SMILES ACDLabs 10.04 19740 CYN [C-]#N SMILES CACTVS 3.341 19740 CYN [C-]#N SMILES 'OpenEye OEToolkits' 1.5.0 19740 CYN [C-]#N SMILES_CANONICAL CACTVS 3.341 19740 CYN [C-]#N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19740 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 19740 CYN cyanide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19740 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 . 19740 CYN N N N N . N . . N 0 . . . 1 no no . . . . 6.693 . -5.522 . 16.471 . 0.000 0.000 0.524 2 . 19740 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 . 19740 CYN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19740 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 % methanol, 6 % D2O' _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-13C; U-15N; U-2H]' . . 1 $CYP101 . . 0.53 . . mM . . . . 19740 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 19740 1 3 NaCN 'natural abundance' . . . . . . 100 . . mM . . . . 19740 1 4 camphor 'natural abundance' . . . . . . 1 . . mM . . . . 19740 1 stop_ save_ ####################### # Sample conditions # ####################### save_p450camcn _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode p450camcn _Sample_condition_list.Entry_ID 19740 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'buffer; 20 mM HEPES, pH=7.4, 100 mM NaCN, 1 mM camphor, 1 % methanol, 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 19740 1 pH 7.400 . pH 19740 1 pressure 1.000 . atm 19740 1 temperature 298.000 . K 19740 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19740 _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 19740 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 19740 1 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 19740 _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 . . 19740 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data acquisition' 19740 2 'Spectrum processing' 19740 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 19740 _Software.ID 3 _Software.Name nmrPipe _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19740 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 19740 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_AVANCE_I_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_AVANCE_I_800 _NMR_spectrometer.Entry_ID 19740 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_Bruker_AVANCE_III_950 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_AVANCE_III_950 _NMR_spectrometer.Entry_ID 19740 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 19740 _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 Bruker_AVANCE_I_800 Bruker Avance . 800 . . . 19740 1 2 Bruker_AVANCE_III_950 Bruker Avance . 950 . . . 19740 1 stop_ save_ save_tcizgrad _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode tcizgrad _NMR_spectrometer_probe.Entry_ID 19740 _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 19740 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 19740 _Experiment_list.ID 1 _Experiment_list.Details 'All experiments were TROSY experiments.' 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 'TROSY-HNcoCACB (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $p450camcn . . . 1 $Bruker_AVANCE_I_800 1 $tcizgrad . . . . . . . . . . . . . . 19740 1 2 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $p450camcn . . . 2 $Bruker_AVANCE_III_950 1 $tcizgrad . . . . . . . . . . . . . . 19740 1 3 '2D 1H-15N TROSY-HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $p450camcn . . . 2 $Bruker_AVANCE_III_950 1 $tcizgrad . . . . . . . . . . . . . . 19740 1 4 'TROSY-HNCACO (H[N[ca[CO]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $p450camcn . . . 2 $Bruker_AVANCE_III_950 1 $tcizgrad . . . . . . . . . . . . . . 19740 1 5 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $p450camcn . . . 2 $Bruker_AVANCE_III_950 1 $tcizgrad . . . . . . . . . . . . . . 19740 1 6 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $p450camcn . . . 2 $Bruker_AVANCE_III_950 1 $tcizgrad . . . . . . . . . . . . . . 19740 1 7 '2D 1H-15N TROSY-HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $p450camcn . . . 2 $Bruker_AVANCE_III_950 1 $tcizgrad . . . . . . . . . . . . . . 19740 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 19740 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19740 1 H 1 DSS 'methyl protons' . . . . ppm 4.76 internal direct 1.000000000 . . . . . . . . . 19740 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19740 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 19740 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $p450camcn _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D TROSY-HNCACB' 1 $sample_1 isotropic 19740 1 3 '2D 1H-15N TROSY-HSQC/HMQC' 1 $sample_1 isotropic 19740 1 4 'TROSY-HNcoCACB (H[N[co[{CA|ca[C]}]]])' 1 $sample_1 isotropic 19740 1 5 'TROSY-HNCACO (H[N[ca[CO]]])' 1 $sample_1 isotropic 19740 1 7 '3D TROSY-HNCO' 1 $sample_1 isotropic 19740 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 8.437 0.002 . . . . . . 4 GLU HN . 19740 1 2 . 1 1 3 3 GLU C C 13 176.543 0.008 . . . . . . 4 GLU C . 19740 1 3 . 1 1 3 3 GLU CA C 13 56.316 0.029 . . . . . . 4 GLU CA . 19740 1 4 . 1 1 3 3 GLU CB C 13 29.462 0.024 . . . . . . 4 GLU CB . 19740 1 5 . 1 1 3 3 GLU N N 15 123.877 0.039 . . . . . . 4 GLU N . 19740 1 6 . 1 1 4 4 THR H H 1 8.191 0.003 . . . . . . 5 THR HN . 19740 1 7 . 1 1 4 4 THR C C 13 174.471 0.005 . . . . . . 5 THR C . 19740 1 8 . 1 1 4 4 THR CA C 13 61.650 0.024 . . . . . . 5 THR CA . 19740 1 9 . 1 1 4 4 THR CB C 13 69.249 0.001 . . . . . . 5 THR CB . 19740 1 10 . 1 1 4 4 THR N N 15 116.427 0.118 . . . . . . 5 THR N . 19740 1 11 . 1 1 5 5 ILE H H 1 8.143 0.002 . . . . . . 6 ILE HN . 19740 1 12 . 1 1 5 5 ILE C C 13 176.208 0.005 . . . . . . 6 ILE C . 19740 1 13 . 1 1 5 5 ILE CA C 13 60.741 0.015 . . . . . . 6 ILE CA . 19740 1 14 . 1 1 5 5 ILE CB C 13 37.670 0.006 . . . . . . 6 ILE CB . 19740 1 15 . 1 1 5 5 ILE N N 15 124.164 0.038 . . . . . . 6 ILE N . 19740 1 16 . 1 1 6 6 GLN H H 1 8.408 0.002 . . . . . . 7 GLN HN . 19740 1 17 . 1 1 6 6 GLN HE21 H 1 6.864 0.009 . . . . . . 7 GLN HE21 . 19740 1 18 . 1 1 6 6 GLN HE22 H 1 6.772 0.001 . . . . . . 7 GLN HE22 . 19740 1 19 . 1 1 6 6 GLN C C 13 175.952 0.000 . . . . . . 7 GLN C . 19740 1 20 . 1 1 6 6 GLN CA C 13 55.330 0.015 . . . . . . 7 GLN CA . 19740 1 21 . 1 1 6 6 GLN CB C 13 28.652 0.029 . . . . . . 7 GLN CB . 19740 1 22 . 1 1 6 6 GLN CG C 13 32.917 0.002 . . . . . . 7 GLN CG . 19740 1 23 . 1 1 6 6 GLN CD C 13 180.581 0.051 . . . . . . 7 GLN CD . 19740 1 24 . 1 1 6 6 GLN N N 15 125.009 0.037 . . . . . . 7 GLN N . 19740 1 25 . 1 1 6 6 GLN NE2 N 15 113.537 0.057 . . . . . . 7 GLN NE2 . 19740 1 26 . 1 1 7 7 SER H H 1 8.307 0.002 . . . . . . 8 SER HN . 19740 1 27 . 1 1 7 7 SER C C 13 174.319 0.000 . . . . . . 8 SER C . 19740 1 28 . 1 1 7 7 SER CA C 13 57.972 0.013 . . . . . . 8 SER CA . 19740 1 29 . 1 1 7 7 SER CB C 13 63.006 0.063 . . . . . . 8 SER CB . 19740 1 30 . 1 1 7 7 SER N N 15 117.770 0.035 . . . . . . 8 SER N . 19740 1 31 . 1 1 8 8 ASN H H 1 8.364 0.002 . . . . . . 9 ASN HN . 19740 1 32 . 1 1 8 8 ASN C C 13 174.971 0.000 . . . . . . 9 ASN C . 19740 1 33 . 1 1 8 8 ASN CA C 13 52.760 0.000 . . . . . . 9 ASN CA . 19740 1 34 . 1 1 8 8 ASN CB C 13 38.264 0.000 . . . . . . 9 ASN CB . 19740 1 35 . 1 1 8 8 ASN N N 15 121.167 0.043 . . . . . . 9 ASN N . 19740 1 36 . 1 1 11 11 LEU H H 1 10.272 0.004 . . . . . . 12 LEU HN . 19740 1 37 . 1 1 11 11 LEU CA C 13 62.071 0.000 . . . . . . 12 LEU CA . 19740 1 38 . 1 1 11 11 LEU CB C 13 40.985 0.016 . . . . . . 12 LEU CB . 19740 1 39 . 1 1 11 11 LEU N N 15 125.334 0.048 . . . . . . 12 LEU N . 19740 1 40 . 1 1 12 12 ALA H H 1 7.650 0.002 . . . . . . 13 ALA HN . 19740 1 41 . 1 1 12 12 ALA C C 13 176.724 0.000 . . . . . . 13 ALA C . 19740 1 42 . 1 1 12 12 ALA CA C 13 50.225 0.000 . . . . . . 13 ALA CA . 19740 1 43 . 1 1 12 12 ALA CB C 13 20.506 0.000 . . . . . . 13 ALA CB . 19740 1 44 . 1 1 12 12 ALA N N 15 128.171 0.037 . . . . . . 13 ALA N . 19740 1 45 . 1 1 16 16 PRO C C 13 176.991 0.002 . . . . . . 17 PRO C . 19740 1 46 . 1 1 16 16 PRO CA C 13 64.094 0.000 . . . . . . 17 PRO CA . 19740 1 47 . 1 1 16 16 PRO CB C 13 31.176 0.000 . . . . . . 17 PRO CB . 19740 1 48 . 1 1 17 17 HIS H H 1 7.662 0.002 . . . . . . 18 HIS HN . 19740 1 49 . 1 1 17 17 HIS CA C 13 55.826 0.023 . . . . . . 18 HIS CA . 19740 1 50 . 1 1 17 17 HIS CB C 13 30.137 0.000 . . . . . . 18 HIS CB . 19740 1 51 . 1 1 17 17 HIS N N 15 111.373 0.041 . . . . . . 18 HIS N . 19740 1 52 . 1 1 18 18 VAL H H 1 6.827 0.002 . . . . . . 19 VAL HN . 19740 1 53 . 1 1 18 18 VAL C C 13 172.689 0.000 . . . . . . 19 VAL C . 19740 1 54 . 1 1 18 18 VAL CA C 13 59.833 0.000 . . . . . . 19 VAL CA . 19740 1 55 . 1 1 18 18 VAL CB C 13 31.151 0.000 . . . . . . 19 VAL CB . 19740 1 56 . 1 1 18 18 VAL N N 15 127.218 0.039 . . . . . . 19 VAL N . 19740 1 57 . 1 1 19 19 PRO C C 13 178.378 0.000 . . . . . . 20 PRO C . 19740 1 58 . 1 1 19 19 PRO CA C 13 61.234 0.025 . . . . . . 20 PRO CA . 19740 1 59 . 1 1 19 19 PRO CB C 13 31.630 0.000 . . . . . . 20 PRO CB . 19740 1 60 . 1 1 20 20 GLU H H 1 8.629 0.002 . . . . . . 21 GLU HN . 19740 1 61 . 1 1 20 20 GLU C C 13 178.662 0.034 . . . . . . 21 GLU C . 19740 1 62 . 1 1 20 20 GLU CA C 13 59.179 0.006 . . . . . . 21 GLU CA . 19740 1 63 . 1 1 20 20 GLU CB C 13 28.658 0.045 . . . . . . 21 GLU CB . 19740 1 64 . 1 1 20 20 GLU N N 15 121.026 0.039 . . . . . . 21 GLU N . 19740 1 65 . 1 1 21 21 HIS H H 1 7.874 0.001 . . . . . . 22 HIS HN . 19740 1 66 . 1 1 21 21 HIS CA C 13 57.789 0.001 . . . . . . 22 HIS CA . 19740 1 67 . 1 1 21 21 HIS CB C 13 28.615 0.000 . . . . . . 22 HIS CB . 19740 1 68 . 1 1 21 21 HIS N N 15 113.708 0.036 . . . . . . 22 HIS N . 19740 1 69 . 1 1 22 22 LEU H H 1 7.192 0.002 . . . . . . 23 LEU HN . 19740 1 70 . 1 1 22 22 LEU C C 13 175.657 0.018 . . . . . . 23 LEU C . 19740 1 71 . 1 1 22 22 LEU CA C 13 53.488 0.019 . . . . . . 23 LEU CA . 19740 1 72 . 1 1 22 22 LEU CB C 13 40.287 0.037 . . . . . . 23 LEU CB . 19740 1 73 . 1 1 22 22 LEU N N 15 119.247 0.039 . . . . . . 23 LEU N . 19740 1 74 . 1 1 23 23 VAL H H 1 7.104 0.002 . . . . . . 24 VAL HN . 19740 1 75 . 1 1 23 23 VAL C C 13 177.015 0.027 . . . . . . 24 VAL C . 19740 1 76 . 1 1 23 23 VAL CA C 13 62.856 0.026 . . . . . . 24 VAL CA . 19740 1 77 . 1 1 23 23 VAL CB C 13 30.756 0.013 . . . . . . 24 VAL CB . 19740 1 78 . 1 1 23 23 VAL N N 15 120.407 0.037 . . . . . . 24 VAL N . 19740 1 79 . 1 1 24 24 PHE H H 1 9.192 0.002 . . . . . . 25 PHE HN . 19740 1 80 . 1 1 24 24 PHE C C 13 174.597 0.018 . . . . . . 25 PHE C . 19740 1 81 . 1 1 24 24 PHE CA C 13 57.732 0.021 . . . . . . 25 PHE CA . 19740 1 82 . 1 1 24 24 PHE CB C 13 39.763 0.089 . . . . . . 25 PHE CB . 19740 1 83 . 1 1 24 24 PHE N N 15 133.220 0.037 . . . . . . 25 PHE N . 19740 1 84 . 1 1 25 25 ASP H H 1 8.161 0.002 . . . . . . 26 ASP HN . 19740 1 85 . 1 1 25 25 ASP C C 13 174.891 0.022 . . . . . . 26 ASP C . 19740 1 86 . 1 1 25 25 ASP CA C 13 55.227 0.013 . . . . . . 26 ASP CA . 19740 1 87 . 1 1 25 25 ASP CB C 13 39.491 0.000 . . . . . . 26 ASP CB . 19740 1 88 . 1 1 25 25 ASP N N 15 126.037 0.039 . . . . . . 26 ASP N . 19740 1 89 . 1 1 26 26 PHE H H 1 8.278 0.002 . . . . . . 27 PHE HN . 19740 1 90 . 1 1 26 26 PHE C C 13 175.169 0.019 . . . . . . 27 PHE C . 19740 1 91 . 1 1 26 26 PHE CA C 13 57.482 0.005 . . . . . . 27 PHE CA . 19740 1 92 . 1 1 26 26 PHE CB C 13 40.832 0.022 . . . . . . 27 PHE CB . 19740 1 93 . 1 1 26 26 PHE N N 15 124.841 0.039 . . . . . . 27 PHE N . 19740 1 94 . 1 1 27 27 ASP H H 1 8.163 0.002 . . . . . . 28 ASP HN . 19740 1 95 . 1 1 27 27 ASP C C 13 174.813 0.000 . . . . . . 28 ASP C . 19740 1 96 . 1 1 27 27 ASP CA C 13 51.373 0.000 . . . . . . 28 ASP CA . 19740 1 97 . 1 1 27 27 ASP CB C 13 40.190 0.000 . . . . . . 28 ASP CB . 19740 1 98 . 1 1 27 27 ASP N N 15 133.025 0.038 . . . . . . 28 ASP N . 19740 1 99 . 1 1 29 29 TYR H H 1 7.953 0.002 . . . . . . 30 TYR HN . 19740 1 100 . 1 1 29 29 TYR C C 13 175.632 0.018 . . . . . . 30 TYR C . 19740 1 101 . 1 1 29 29 TYR CA C 13 59.183 0.038 . . . . . . 30 TYR CA . 19740 1 102 . 1 1 29 29 TYR CB C 13 38.139 0.019 . . . . . . 30 TYR CB . 19740 1 103 . 1 1 29 29 TYR N N 15 118.066 0.043 . . . . . . 30 TYR N . 19740 1 104 . 1 1 30 30 ASN H H 1 6.854 0.002 . . . . . . 31 ASN HN . 19740 1 105 . 1 1 30 30 ASN C C 13 169.334 0.000 . . . . . . 31 ASN C . 19740 1 106 . 1 1 30 30 ASN CA C 13 51.609 0.000 . . . . . . 31 ASN CA . 19740 1 107 . 1 1 30 30 ASN CB C 13 38.372 0.000 . . . . . . 31 ASN CB . 19740 1 108 . 1 1 30 30 ASN N N 15 116.348 0.044 . . . . . . 31 ASN N . 19740 1 109 . 1 1 31 31 PRO C C 13 178.509 0.000 . . . . . . 32 PRO C . 19740 1 110 . 1 1 31 31 PRO CA C 13 62.481 0.000 . . . . . . 32 PRO CA . 19740 1 111 . 1 1 31 31 PRO CB C 13 30.815 0.000 . . . . . . 32 PRO CB . 19740 1 112 . 1 1 32 32 SER H H 1 7.885 0.002 . . . . . . 33 SER HN . 19740 1 113 . 1 1 32 32 SER C C 13 175.152 0.002 . . . . . . 33 SER C . 19740 1 114 . 1 1 32 32 SER CA C 13 59.841 0.005 . . . . . . 33 SER CA . 19740 1 115 . 1 1 32 32 SER CB C 13 62.364 0.014 . . . . . . 33 SER CB . 19740 1 116 . 1 1 32 32 SER N N 15 118.009 0.040 . . . . . . 33 SER N . 19740 1 117 . 1 1 33 33 ASN H H 1 8.777 0.002 . . . . . . 34 ASN HN . 19740 1 118 . 1 1 33 33 ASN C C 13 175.265 0.002 . . . . . . 34 ASN C . 19740 1 119 . 1 1 33 33 ASN CA C 13 53.206 0.023 . . . . . . 34 ASN CA . 19740 1 120 . 1 1 33 33 ASN CB C 13 37.177 0.038 . . . . . . 34 ASN CB . 19740 1 121 . 1 1 33 33 ASN N N 15 117.918 0.041 . . . . . . 34 ASN N . 19740 1 122 . 1 1 34 34 LEU H H 1 7.299 0.002 . . . . . . 35 LEU HN . 19740 1 123 . 1 1 34 34 LEU C C 13 178.321 0.003 . . . . . . 35 LEU C . 19740 1 124 . 1 1 34 34 LEU CA C 13 57.114 0.032 . . . . . . 35 LEU CA . 19740 1 125 . 1 1 34 34 LEU CB C 13 41.267 0.032 . . . . . . 35 LEU CB . 19740 1 126 . 1 1 34 34 LEU N N 15 119.879 0.039 . . . . . . 35 LEU N . 19740 1 127 . 1 1 35 35 SER H H 1 8.572 0.002 . . . . . . 36 SER HN . 19740 1 128 . 1 1 35 35 SER C C 13 174.744 0.012 . . . . . . 36 SER C . 19740 1 129 . 1 1 35 35 SER CA C 13 60.262 0.030 . . . . . . 36 SER CA . 19740 1 130 . 1 1 35 35 SER CB C 13 61.945 0.003 . . . . . . 36 SER CB . 19740 1 131 . 1 1 35 35 SER N N 15 114.317 0.041 . . . . . . 36 SER N . 19740 1 132 . 1 1 36 36 ALA H H 1 7.799 0.002 . . . . . . 37 ALA HN . 19740 1 133 . 1 1 36 36 ALA C C 13 176.882 0.006 . . . . . . 37 ALA C . 19740 1 134 . 1 1 36 36 ALA CA C 13 52.443 0.009 . . . . . . 37 ALA CA . 19740 1 135 . 1 1 36 36 ALA CB C 13 18.328 0.013 . . . . . . 37 ALA CB . 19740 1 136 . 1 1 36 36 ALA N N 15 124.311 0.039 . . . . . . 37 ALA N . 19740 1 137 . 1 1 37 37 GLY H H 1 7.429 0.002 . . . . . . 38 GLY HN . 19740 1 138 . 1 1 37 37 GLY C C 13 175.838 0.000 . . . . . . 38 GLY C . 19740 1 139 . 1 1 37 37 GLY CA C 13 42.741 0.000 . . . . . . 38 GLY CA . 19740 1 140 . 1 1 37 37 GLY N N 15 109.422 0.041 . . . . . . 38 GLY N . 19740 1 141 . 1 1 38 38 VAL C C 13 176.587 0.000 . . . . . . 39 VAL C . 19740 1 142 . 1 1 38 38 VAL CA C 13 66.683 0.000 . . . . . . 39 VAL CA . 19740 1 143 . 1 1 38 38 VAL CB C 13 31.302 0.000 . . . . . . 39 VAL CB . 19740 1 144 . 1 1 39 39 GLN H H 1 7.632 0.002 . . . . . . 40 GLN HN . 19740 1 145 . 1 1 39 39 GLN C C 13 177.605 0.018 . . . . . . 40 GLN C . 19740 1 146 . 1 1 39 39 GLN CA C 13 61.749 0.035 . . . . . . 40 GLN CA . 19740 1 147 . 1 1 39 39 GLN CB C 13 24.359 0.000 . . . . . . 40 GLN CB . 19740 1 148 . 1 1 39 39 GLN N N 15 122.165 0.044 . . . . . . 40 GLN N . 19740 1 149 . 1 1 40 40 GLU H H 1 9.655 0.001 . . . . . . 41 GLU HN . 19740 1 150 . 1 1 40 40 GLU C C 13 179.368 0.006 . . . . . . 41 GLU C . 19740 1 151 . 1 1 40 40 GLU CA C 13 60.796 0.019 . . . . . . 41 GLU CA . 19740 1 152 . 1 1 40 40 GLU CB C 13 27.227 0.006 . . . . . . 41 GLU CB . 19740 1 153 . 1 1 40 40 GLU N N 15 120.325 0.039 . . . . . . 41 GLU N . 19740 1 154 . 1 1 41 41 ALA H H 1 8.531 0.002 . . . . . . 42 ALA HN . 19740 1 155 . 1 1 41 41 ALA C C 13 181.017 0.019 . . . . . . 42 ALA C . 19740 1 156 . 1 1 41 41 ALA CA C 13 54.436 0.009 . . . . . . 42 ALA CA . 19740 1 157 . 1 1 41 41 ALA CB C 13 17.032 0.012 . . . . . . 42 ALA CB . 19740 1 158 . 1 1 41 41 ALA N N 15 122.816 0.036 . . . . . . 42 ALA N . 19740 1 159 . 1 1 42 42 TRP H H 1 8.374 0.002 . . . . . . 43 TRP HN . 19740 1 160 . 1 1 42 42 TRP C C 13 177.635 0.000 . . . . . . 43 TRP C . 19740 1 161 . 1 1 42 42 TRP CA C 13 60.540 0.000 . . . . . . 43 TRP CA . 19740 1 162 . 1 1 42 42 TRP CB C 13 27.347 0.030 . . . . . . 43 TRP CB . 19740 1 163 . 1 1 42 42 TRP N N 15 120.138 0.038 . . . . . . 43 TRP N . 19740 1 164 . 1 1 43 43 ALA H H 1 8.242 0.001 . . . . . . 44 ALA HN . 19740 1 165 . 1 1 43 43 ALA C C 13 179.634 0.006 . . . . . . 44 ALA C . 19740 1 166 . 1 1 43 43 ALA CA C 13 53.645 0.040 . . . . . . 44 ALA CA . 19740 1 167 . 1 1 43 43 ALA CB C 13 16.581 0.000 . . . . . . 44 ALA CB . 19740 1 168 . 1 1 43 43 ALA N N 15 120.178 0.040 . . . . . . 44 ALA N . 19740 1 169 . 1 1 44 44 VAL H H 1 7.058 0.002 . . . . . . 45 VAL HN . 19740 1 170 . 1 1 44 44 VAL C C 13 177.409 0.000 . . . . . . 45 VAL C . 19740 1 171 . 1 1 44 44 VAL CA C 13 64.205 0.031 . . . . . . 45 VAL CA . 19740 1 172 . 1 1 44 44 VAL CB C 13 30.088 0.021 . . . . . . 45 VAL CB . 19740 1 173 . 1 1 44 44 VAL N N 15 119.413 0.039 . . . . . . 45 VAL N . 19740 1 174 . 1 1 45 45 LEU H H 1 7.496 0.002 . . . . . . 46 LEU HN . 19740 1 175 . 1 1 45 45 LEU C C 13 174.557 0.001 . . . . . . 46 LEU C . 19740 1 176 . 1 1 45 45 LEU CA C 13 55.387 0.016 . . . . . . 46 LEU CA . 19740 1 177 . 1 1 45 45 LEU CB C 13 40.607 0.017 . . . . . . 46 LEU CB . 19740 1 178 . 1 1 45 45 LEU N N 15 119.104 0.068 . . . . . . 46 LEU N . 19740 1 179 . 1 1 46 46 GLN H H 1 7.426 0.002 . . . . . . 47 GLN HN . 19740 1 180 . 1 1 46 46 GLN C C 13 176.509 0.048 . . . . . . 47 GLN C . 19740 1 181 . 1 1 46 46 GLN CA C 13 53.383 0.065 . . . . . . 47 GLN CA . 19740 1 182 . 1 1 46 46 GLN CB C 13 27.673 0.037 . . . . . . 47 GLN CB . 19740 1 183 . 1 1 46 46 GLN N N 15 111.894 0.039 . . . . . . 47 GLN N . 19740 1 184 . 1 1 47 47 GLU H H 1 6.840 0.000 . . . . . . 48 GLU HN . 19740 1 185 . 1 1 47 47 GLU C C 13 177.982 0.003 . . . . . . 48 GLU C . 19740 1 186 . 1 1 47 47 GLU CA C 13 56.872 0.008 . . . . . . 48 GLU CA . 19740 1 187 . 1 1 47 47 GLU CB C 13 29.557 0.014 . . . . . . 48 GLU CB . 19740 1 188 . 1 1 47 47 GLU N N 15 120.978 0.038 . . . . . . 48 GLU N . 19740 1 189 . 1 1 48 48 SER H H 1 8.623 0.002 . . . . . . 49 SER HN . 19740 1 190 . 1 1 48 48 SER C C 13 174.603 0.060 . . . . . . 49 SER C . 19740 1 191 . 1 1 48 48 SER CA C 13 60.911 0.061 . . . . . . 49 SER CA . 19740 1 192 . 1 1 48 48 SER CB C 13 62.610 0.008 . . . . . . 49 SER CB . 19740 1 193 . 1 1 48 48 SER N N 15 115.518 0.039 . . . . . . 49 SER N . 19740 1 194 . 1 1 49 49 ASN H H 1 8.292 0.002 . . . . . . 50 ASN HN . 19740 1 195 . 1 1 49 49 ASN C C 13 174.569 0.008 . . . . . . 50 ASN C . 19740 1 196 . 1 1 49 49 ASN CA C 13 53.078 0.015 . . . . . . 50 ASN CA . 19740 1 197 . 1 1 49 49 ASN CB C 13 37.225 0.005 . . . . . . 50 ASN CB . 19740 1 198 . 1 1 49 49 ASN N N 15 116.369 0.039 . . . . . . 50 ASN N . 19740 1 199 . 1 1 50 50 VAL H H 1 7.701 0.001 . . . . . . 51 VAL HN . 19740 1 200 . 1 1 50 50 VAL C C 13 175.093 0.000 . . . . . . 51 VAL C . 19740 1 201 . 1 1 50 50 VAL CA C 13 60.510 0.000 . . . . . . 51 VAL CA . 19740 1 202 . 1 1 50 50 VAL CB C 13 31.587 0.000 . . . . . . 51 VAL CB . 19740 1 203 . 1 1 50 50 VAL N N 15 125.740 0.036 . . . . . . 51 VAL N . 19740 1 204 . 1 1 55 55 TRP H H 1 8.888 0.002 . . . . . . 56 TRP HN . 19740 1 205 . 1 1 55 55 TRP C C 13 175.164 0.009 . . . . . . 56 TRP C . 19740 1 206 . 1 1 55 55 TRP CA C 13 55.025 0.000 . . . . . . 56 TRP CA . 19740 1 207 . 1 1 55 55 TRP CB C 13 31.075 0.025 . . . . . . 56 TRP CB . 19740 1 208 . 1 1 55 55 TRP N N 15 122.774 0.045 . . . . . . 56 TRP N . 19740 1 209 . 1 1 56 56 THR H H 1 7.882 0.002 . . . . . . 57 THR HN . 19740 1 210 . 1 1 56 56 THR C C 13 171.830 0.014 . . . . . . 57 THR C . 19740 1 211 . 1 1 56 56 THR CA C 13 55.132 0.000 . . . . . . 57 THR CA . 19740 1 212 . 1 1 56 56 THR CB C 13 69.457 0.014 . . . . . . 57 THR CB . 19740 1 213 . 1 1 56 56 THR N N 15 119.890 0.040 . . . . . . 57 THR N . 19740 1 214 . 1 1 57 57 ARG H H 1 7.951 0.002 . . . . . . 58 ARG HN . 19740 1 215 . 1 1 57 57 ARG C C 13 176.748 0.026 . . . . . . 58 ARG C . 19740 1 216 . 1 1 57 57 ARG CA C 13 55.493 0.000 . . . . . . 58 ARG CA . 19740 1 217 . 1 1 57 57 ARG CB C 13 29.809 0.024 . . . . . . 58 ARG CB . 19740 1 218 . 1 1 57 57 ARG N N 15 122.469 0.044 . . . . . . 58 ARG N . 19740 1 219 . 1 1 58 58 CYS H H 1 8.046 0.002 . . . . . . 59 CYS HN . 19740 1 220 . 1 1 58 58 CYS C C 13 174.591 0.039 . . . . . . 59 CYS C . 19740 1 221 . 1 1 58 58 CYS CA C 13 58.662 0.008 . . . . . . 59 CYS CA . 19740 1 222 . 1 1 58 58 CYS CB C 13 28.638 0.003 . . . . . . 59 CYS CB . 19740 1 223 . 1 1 58 58 CYS N N 15 119.021 0.039 . . . . . . 59 CYS N . 19740 1 224 . 1 1 59 59 ASN H H 1 9.325 0.002 . . . . . . 60 ASN HN . 19740 1 225 . 1 1 59 59 ASN C C 13 174.465 0.023 . . . . . . 60 ASN C . 19740 1 226 . 1 1 59 59 ASN CA C 13 55.361 0.013 . . . . . . 60 ASN CA . 19740 1 227 . 1 1 59 59 ASN CB C 13 37.651 0.025 . . . . . . 60 ASN CB . 19740 1 228 . 1 1 59 59 ASN N N 15 114.825 0.038 . . . . . . 60 ASN N . 19740 1 229 . 1 1 60 60 GLY H H 1 8.864 0.002 . . . . . . 61 GLY HN . 19740 1 230 . 1 1 60 60 GLY C C 13 174.404 0.001 . . . . . . 61 GLY C . 19740 1 231 . 1 1 60 60 GLY CA C 13 44.885 0.000 . . . . . . 61 GLY CA . 19740 1 232 . 1 1 60 60 GLY N N 15 103.823 0.041 . . . . . . 61 GLY N . 19740 1 233 . 1 1 61 61 GLY H H 1 7.487 0.002 . . . . . . 62 GLY HN . 19740 1 234 . 1 1 61 61 GLY C C 13 172.936 0.008 . . . . . . 62 GLY C . 19740 1 235 . 1 1 61 61 GLY CA C 13 43.719 0.005 . . . . . . 62 GLY CA . 19740 1 236 . 1 1 61 61 GLY N N 15 111.867 0.072 . . . . . . 62 GLY N . 19740 1 237 . 1 1 62 62 HIS H H 1 7.119 0.001 . . . . . . 63 HIS HN . 19740 1 238 . 1 1 62 62 HIS CA C 13 55.019 0.026 . . . . . . 63 HIS CA . 19740 1 239 . 1 1 62 62 HIS CB C 13 28.473 0.002 . . . . . . 63 HIS CB . 19740 1 240 . 1 1 62 62 HIS N N 15 121.487 0.028 . . . . . . 63 HIS N . 19740 1 241 . 1 1 63 63 TRP H H 1 8.278 0.002 . . . . . . 64 TRP HN . 19740 1 242 . 1 1 63 63 TRP C C 13 179.952 0.000 . . . . . . 64 TRP C . 19740 1 243 . 1 1 63 63 TRP CA C 13 56.013 0.000 . . . . . . 64 TRP CA . 19740 1 244 . 1 1 63 63 TRP CB C 13 32.107 0.000 . . . . . . 64 TRP CB . 19740 1 245 . 1 1 63 63 TRP N N 15 118.159 0.038 . . . . . . 64 TRP N . 19740 1 246 . 1 1 66 66 THR C C 13 173.432 0.000 . . . . . . 67 THR C . 19740 1 247 . 1 1 66 66 THR CA C 13 61.611 0.027 . . . . . . 67 THR CA . 19740 1 248 . 1 1 66 66 THR CB C 13 68.099 0.000 . . . . . . 67 THR CB . 19740 1 249 . 1 1 67 67 ARG H H 1 6.260 0.004 . . . . . . 68 ARG HN . 19740 1 250 . 1 1 67 67 ARG C C 13 177.203 0.005 . . . . . . 68 ARG C . 19740 1 251 . 1 1 67 67 ARG CA C 13 51.427 0.024 . . . . . . 68 ARG CA . 19740 1 252 . 1 1 67 67 ARG CB C 13 32.759 0.031 . . . . . . 68 ARG CB . 19740 1 253 . 1 1 67 67 ARG N N 15 114.389 0.037 . . . . . . 68 ARG N . 19740 1 254 . 1 1 68 68 GLY H H 1 10.170 0.001 . . . . . . 69 GLY HN . 19740 1 255 . 1 1 68 68 GLY C C 13 174.684 0.008 . . . . . . 69 GLY C . 19740 1 256 . 1 1 68 68 GLY CA C 13 46.684 0.013 . . . . . . 69 GLY CA . 19740 1 257 . 1 1 68 68 GLY N N 15 111.721 0.042 . . . . . . 69 GLY N . 19740 1 258 . 1 1 69 69 GLN H H 1 8.773 0.003 . . . . . . 70 GLN HN . 19740 1 259 . 1 1 69 69 GLN C C 13 177.730 0.005 . . . . . . 70 GLN C . 19740 1 260 . 1 1 69 69 GLN CA C 13 58.644 0.014 . . . . . . 70 GLN CA . 19740 1 261 . 1 1 69 69 GLN CB C 13 27.602 0.009 . . . . . . 70 GLN CB . 19740 1 262 . 1 1 69 69 GLN N N 15 119.390 0.036 . . . . . . 70 GLN N . 19740 1 263 . 1 1 70 70 LEU H H 1 6.267 0.002 . . . . . . 71 LEU HN . 19740 1 264 . 1 1 70 70 LEU C C 13 177.550 0.002 . . . . . . 71 LEU C . 19740 1 265 . 1 1 70 70 LEU CA C 13 58.620 0.000 . . . . . . 71 LEU CA . 19740 1 266 . 1 1 70 70 LEU CB C 13 42.610 0.080 . . . . . . 71 LEU CB . 19740 1 267 . 1 1 70 70 LEU N N 15 116.541 0.038 . . . . . . 71 LEU N . 19740 1 268 . 1 1 71 71 ILE H H 1 7.462 0.002 . . . . . . 72 ILE HN . 19740 1 269 . 1 1 71 71 ILE C C 13 176.884 0.006 . . . . . . 72 ILE C . 19740 1 270 . 1 1 71 71 ILE CA C 13 65.466 0.036 . . . . . . 72 ILE CA . 19740 1 271 . 1 1 71 71 ILE CB C 13 37.905 0.002 . . . . . . 72 ILE CB . 19740 1 272 . 1 1 71 71 ILE N N 15 120.318 0.034 . . . . . . 72 ILE N . 19740 1 273 . 1 1 72 72 ARG H H 1 7.945 0.001 . . . . . . 73 ARG HN . 19740 1 274 . 1 1 72 72 ARG C C 13 178.311 0.008 . . . . . . 73 ARG C . 19740 1 275 . 1 1 72 72 ARG CA C 13 59.632 0.006 . . . . . . 73 ARG CA . 19740 1 276 . 1 1 72 72 ARG CB C 13 29.563 0.004 . . . . . . 73 ARG CB . 19740 1 277 . 1 1 72 72 ARG N N 15 115.307 0.038 . . . . . . 73 ARG N . 19740 1 278 . 1 1 73 73 GLU H H 1 7.441 0.002 . . . . . . 74 GLU HN . 19740 1 279 . 1 1 73 73 GLU C C 13 180.305 0.028 . . . . . . 74 GLU C . 19740 1 280 . 1 1 73 73 GLU CA C 13 59.103 0.017 . . . . . . 74 GLU CA . 19740 1 281 . 1 1 73 73 GLU CB C 13 29.686 0.013 . . . . . . 74 GLU CB . 19740 1 282 . 1 1 73 73 GLU N N 15 116.935 0.041 . . . . . . 74 GLU N . 19740 1 283 . 1 1 74 74 ALA H H 1 8.062 0.002 . . . . . . 75 ALA HN . 19740 1 284 . 1 1 74 74 ALA C C 13 179.709 0.008 . . . . . . 75 ALA C . 19740 1 285 . 1 1 74 74 ALA CA C 13 54.140 0.001 . . . . . . 75 ALA CA . 19740 1 286 . 1 1 74 74 ALA CB C 13 17.236 0.015 . . . . . . 75 ALA CB . 19740 1 287 . 1 1 74 74 ALA N N 15 120.890 0.037 . . . . . . 75 ALA N . 19740 1 288 . 1 1 75 75 TYR H H 1 7.641 0.002 . . . . . . 76 TYR HN . 19740 1 289 . 1 1 75 75 TYR C C 13 178.220 0.014 . . . . . . 76 TYR C . 19740 1 290 . 1 1 75 75 TYR CA C 13 60.907 0.009 . . . . . . 76 TYR CA . 19740 1 291 . 1 1 75 75 TYR CB C 13 36.861 0.028 . . . . . . 76 TYR CB . 19740 1 292 . 1 1 75 75 TYR N N 15 114.934 0.036 . . . . . . 76 TYR N . 19740 1 293 . 1 1 76 76 GLU H H 1 7.772 0.002 . . . . . . 77 GLU HN . 19740 1 294 . 1 1 76 76 GLU C C 13 177.450 0.011 . . . . . . 77 GLU C . 19740 1 295 . 1 1 76 76 GLU CA C 13 58.111 0.016 . . . . . . 77 GLU CA . 19740 1 296 . 1 1 76 76 GLU CB C 13 29.394 0.001 . . . . . . 77 GLU CB . 19740 1 297 . 1 1 76 76 GLU N N 15 116.412 0.069 . . . . . . 77 GLU N . 19740 1 298 . 1 1 77 77 ASP H H 1 7.559 0.002 . . . . . . 78 ASP HN . 19740 1 299 . 1 1 77 77 ASP C C 13 175.529 0.033 . . . . . . 78 ASP C . 19740 1 300 . 1 1 77 77 ASP CA C 13 51.503 0.006 . . . . . . 78 ASP CA . 19740 1 301 . 1 1 77 77 ASP CB C 13 38.548 0.012 . . . . . . 78 ASP CB . 19740 1 302 . 1 1 77 77 ASP N N 15 119.827 0.044 . . . . . . 78 ASP N . 19740 1 303 . 1 1 78 78 TYR H H 1 7.334 0.002 . . . . . . 79 TYR HN . 19740 1 304 . 1 1 78 78 TYR C C 13 175.916 0.006 . . . . . . 79 TYR C . 19740 1 305 . 1 1 78 78 TYR CA C 13 57.208 0.010 . . . . . . 79 TYR CA . 19740 1 306 . 1 1 78 78 TYR CB C 13 36.431 0.020 . . . . . . 79 TYR CB . 19740 1 307 . 1 1 78 78 TYR N N 15 121.481 0.035 . . . . . . 79 TYR N . 19740 1 308 . 1 1 79 79 ARG H H 1 7.231 0.002 . . . . . . 80 ARG HN . 19740 1 309 . 1 1 79 79 ARG C C 13 178.462 0.010 . . . . . . 80 ARG C . 19740 1 310 . 1 1 79 79 ARG CA C 13 57.876 0.058 . . . . . . 80 ARG CA . 19740 1 311 . 1 1 79 79 ARG CB C 13 27.802 0.019 . . . . . . 80 ARG CB . 19740 1 312 . 1 1 79 79 ARG N N 15 120.987 0.042 . . . . . . 80 ARG N . 19740 1 313 . 1 1 80 80 HIS H H 1 6.803 0.001 . . . . . . 81 HIS HN . 19740 1 314 . 1 1 80 80 HIS CA C 13 58.589 0.004 . . . . . . 81 HIS CA . 19740 1 315 . 1 1 80 80 HIS CB C 13 28.417 0.062 . . . . . . 81 HIS CB . 19740 1 316 . 1 1 80 80 HIS N N 15 112.844 0.045 . . . . . . 81 HIS N . 19740 1 317 . 1 1 81 81 PHE H H 1 7.873 0.002 . . . . . . 82 PHE HN . 19740 1 318 . 1 1 81 81 PHE C C 13 174.454 0.016 . . . . . . 82 PHE C . 19740 1 319 . 1 1 81 81 PHE CA C 13 55.277 0.005 . . . . . . 82 PHE CA . 19740 1 320 . 1 1 81 81 PHE CB C 13 36.473 0.001 . . . . . . 82 PHE CB . 19740 1 321 . 1 1 81 81 PHE N N 15 118.898 0.036 . . . . . . 82 PHE N . 19740 1 322 . 1 1 82 82 SER H H 1 8.876 0.002 . . . . . . 83 SER HN . 19740 1 323 . 1 1 82 82 SER C C 13 176.849 0.000 . . . . . . 83 SER C . 19740 1 324 . 1 1 82 82 SER CA C 13 56.403 0.010 . . . . . . 83 SER CA . 19740 1 325 . 1 1 82 82 SER CB C 13 63.323 0.031 . . . . . . 83 SER CB . 19740 1 326 . 1 1 82 82 SER N N 15 117.232 0.041 . . . . . . 83 SER N . 19740 1 327 . 1 1 83 83 SER H H 1 9.702 0.002 . . . . . . 84 SER HN . 19740 1 328 . 1 1 83 83 SER C C 13 172.335 0.000 . . . . . . 84 SER C . 19740 1 329 . 1 1 83 83 SER CA C 13 59.192 0.063 . . . . . . 84 SER CA . 19740 1 330 . 1 1 83 83 SER CB C 13 61.087 0.005 . . . . . . 84 SER CB . 19740 1 331 . 1 1 83 83 SER N N 15 126.446 0.037 . . . . . . 84 SER N . 19740 1 332 . 1 1 84 84 GLU H H 1 8.078 0.001 . . . . . . 85 GLU HN . 19740 1 333 . 1 1 84 84 GLU C C 13 175.055 0.000 . . . . . . 85 GLU C . 19740 1 334 . 1 1 84 84 GLU CA C 13 58.478 0.000 . . . . . . 85 GLU CA . 19740 1 335 . 1 1 84 84 GLU CB C 13 28.992 0.000 . . . . . . 85 GLU CB . 19740 1 336 . 1 1 84 84 GLU N N 15 119.196 0.039 . . . . . . 85 GLU N . 19740 1 337 . 1 1 89 89 PRO C C 13 176.345 0.000 . . . . . . 90 PRO C . 19740 1 338 . 1 1 89 89 PRO CA C 13 61.534 0.002 . . . . . . 90 PRO CA . 19740 1 339 . 1 1 89 89 PRO CB C 13 34.962 0.000 . . . . . . 90 PRO CB . 19740 1 340 . 1 1 90 90 ARG H H 1 9.445 0.001 . . . . . . 91 ARG HN . 19740 1 341 . 1 1 90 90 ARG C C 13 177.056 0.021 . . . . . . 91 ARG C . 19740 1 342 . 1 1 90 90 ARG CA C 13 60.132 0.010 . . . . . . 91 ARG CA . 19740 1 343 . 1 1 90 90 ARG CB C 13 29.826 0.041 . . . . . . 91 ARG CB . 19740 1 344 . 1 1 90 90 ARG N N 15 124.045 0.039 . . . . . . 91 ARG N . 19740 1 345 . 1 1 91 91 GLU H H 1 9.439 0.002 . . . . . . 92 GLU HN . 19740 1 346 . 1 1 91 91 GLU C C 13 179.573 0.014 . . . . . . 92 GLU C . 19740 1 347 . 1 1 91 91 GLU CA C 13 59.588 0.009 . . . . . . 92 GLU CA . 19740 1 348 . 1 1 91 91 GLU CB C 13 27.785 0.002 . . . . . . 92 GLU CB . 19740 1 349 . 1 1 91 91 GLU N N 15 115.833 0.038 . . . . . . 92 GLU N . 19740 1 350 . 1 1 92 92 ALA H H 1 7.387 0.002 . . . . . . 93 ALA HN . 19740 1 351 . 1 1 92 92 ALA C C 13 178.013 0.014 . . . . . . 93 ALA C . 19740 1 352 . 1 1 92 92 ALA CA C 13 53.824 0.036 . . . . . . 93 ALA CA . 19740 1 353 . 1 1 92 92 ALA CB C 13 17.055 0.003 . . . . . . 93 ALA CB . 19740 1 354 . 1 1 92 92 ALA N N 15 123.207 0.038 . . . . . . 93 ALA N . 19740 1 355 . 1 1 93 93 GLY H H 1 7.495 0.002 . . . . . . 94 GLY HN . 19740 1 356 . 1 1 93 93 GLY C C 13 176.034 0.005 . . . . . . 94 GLY C . 19740 1 357 . 1 1 93 93 GLY CA C 13 48.770 0.009 . . . . . . 94 GLY CA . 19740 1 358 . 1 1 93 93 GLY N N 15 104.297 0.039 . . . . . . 94 GLY N . 19740 1 359 . 1 1 94 94 GLU H H 1 9.075 0.002 . . . . . . 95 GLU HN . 19740 1 360 . 1 1 94 94 GLU C C 13 178.677 0.016 . . . . . . 95 GLU C . 19740 1 361 . 1 1 94 94 GLU CA C 13 58.761 0.007 . . . . . . 95 GLU CA . 19740 1 362 . 1 1 94 94 GLU CB C 13 28.518 0.024 . . . . . . 95 GLU CB . 19740 1 363 . 1 1 94 94 GLU N N 15 120.667 0.029 . . . . . . 95 GLU N . 19740 1 364 . 1 1 95 95 ALA H H 1 7.038 0.002 . . . . . . 96 ALA HN . 19740 1 365 . 1 1 95 95 ALA C C 13 176.988 0.000 . . . . . . 96 ALA C . 19740 1 366 . 1 1 95 95 ALA CA C 13 52.391 0.033 . . . . . . 96 ALA CA . 19740 1 367 . 1 1 95 95 ALA CB C 13 18.328 0.017 . . . . . . 96 ALA CB . 19740 1 368 . 1 1 95 95 ALA N N 15 120.300 0.037 . . . . . . 96 ALA N . 19740 1 369 . 1 1 96 96 TYR H H 1 8.352 0.001 . . . . . . 97 TYR HN . 19740 1 370 . 1 1 96 96 TYR C C 13 174.372 0.003 . . . . . . 97 TYR C . 19740 1 371 . 1 1 96 96 TYR CA C 13 52.938 0.028 . . . . . . 97 TYR CA . 19740 1 372 . 1 1 96 96 TYR CB C 13 37.819 0.006 . . . . . . 97 TYR CB . 19740 1 373 . 1 1 96 96 TYR N N 15 117.402 0.039 . . . . . . 97 TYR N . 19740 1 374 . 1 1 97 97 ASP H H 1 7.758 0.002 . . . . . . 98 ASP HN . 19740 1 375 . 1 1 97 97 ASP C C 13 176.000 0.007 . . . . . . 98 ASP C . 19740 1 376 . 1 1 97 97 ASP CA C 13 52.978 0.003 . . . . . . 98 ASP CA . 19740 1 377 . 1 1 97 97 ASP CB C 13 40.740 0.014 . . . . . . 98 ASP CB . 19740 1 378 . 1 1 97 97 ASP N N 15 121.920 0.038 . . . . . . 98 ASP N . 19740 1 379 . 1 1 98 98 PHE H H 1 8.709 0.002 . . . . . . 99 PHE HN . 19740 1 380 . 1 1 98 98 PHE C C 13 176.251 0.000 . . . . . . 99 PHE C . 19740 1 381 . 1 1 98 98 PHE CA C 13 50.018 0.000 . . . . . . 99 PHE CA . 19740 1 382 . 1 1 98 98 PHE N N 15 129.707 0.038 . . . . . . 99 PHE N . 19740 1 383 . 1 1 100 100 PRO C C 13 178.546 0.000 . . . . . . 101 PRO C . 19740 1 384 . 1 1 100 100 PRO CA C 13 62.591 0.000 . . . . . . 101 PRO CA . 19740 1 385 . 1 1 100 100 PRO CB C 13 34.268 0.000 . . . . . . 101 PRO CB . 19740 1 386 . 1 1 101 101 THR H H 1 7.269 0.002 . . . . . . 102 THR HN . 19740 1 387 . 1 1 101 101 THR C C 13 173.221 0.000 . . . . . . 102 THR C . 19740 1 388 . 1 1 101 101 THR CA C 13 66.211 0.012 . . . . . . 102 THR CA . 19740 1 389 . 1 1 101 101 THR CB C 13 67.749 0.003 . . . . . . 102 THR CB . 19740 1 390 . 1 1 101 101 THR N N 15 115.684 0.040 . . . . . . 102 THR N . 19740 1 391 . 1 1 102 102 SER H H 1 8.092 0.003 . . . . . . 103 SER HN . 19740 1 392 . 1 1 102 102 SER C C 13 172.370 0.000 . . . . . . 103 SER C . 19740 1 393 . 1 1 102 102 SER CA C 13 58.716 0.078 . . . . . . 103 SER CA . 19740 1 394 . 1 1 102 102 SER CB C 13 63.453 0.010 . . . . . . 103 SER CB . 19740 1 395 . 1 1 102 102 SER N N 15 110.905 0.045 . . . . . . 103 SER N . 19740 1 396 . 1 1 103 103 MET H H 1 7.594 0.002 . . . . . . 104 MET HN . 19740 1 397 . 1 1 103 103 MET C C 13 174.078 0.004 . . . . . . 104 MET C . 19740 1 398 . 1 1 103 103 MET CA C 13 54.219 0.020 . . . . . . 104 MET CA . 19740 1 399 . 1 1 103 103 MET CB C 13 35.198 0.010 . . . . . . 104 MET CB . 19740 1 400 . 1 1 103 103 MET N N 15 119.372 0.038 . . . . . . 104 MET N . 19740 1 401 . 1 1 104 104 ASP H H 1 8.712 0.002 . . . . . . 105 ASP HN . 19740 1 402 . 1 1 104 104 ASP C C 13 175.359 0.000 . . . . . . 105 ASP C . 19740 1 403 . 1 1 104 104 ASP CA C 13 51.821 0.000 . . . . . . 105 ASP CA . 19740 1 404 . 1 1 104 104 ASP CB C 13 41.440 0.000 . . . . . . 105 ASP CB . 19740 1 405 . 1 1 104 104 ASP N N 15 119.642 0.035 . . . . . . 105 ASP N . 19740 1 406 . 1 1 106 106 PRO C C 13 178.790 0.005 . . . . . . 107 PRO C . 19740 1 407 . 1 1 106 106 PRO CA C 13 64.885 0.030 . . . . . . 107 PRO CA . 19740 1 408 . 1 1 106 106 PRO CB C 13 31.160 0.000 . . . . . . 107 PRO CB . 19740 1 409 . 1 1 107 107 GLU H H 1 9.004 0.002 . . . . . . 108 GLU HN . 19740 1 410 . 1 1 107 107 GLU C C 13 179.578 0.010 . . . . . . 108 GLU C . 19740 1 411 . 1 1 107 107 GLU CA C 13 59.567 0.017 . . . . . . 108 GLU CA . 19740 1 412 . 1 1 107 107 GLU CB C 13 27.991 0.037 . . . . . . 108 GLU CB . 19740 1 413 . 1 1 107 107 GLU N N 15 117.067 0.037 . . . . . . 108 GLU N . 19740 1 414 . 1 1 108 108 GLN H H 1 7.514 0.003 . . . . . . 109 GLN HN . 19740 1 415 . 1 1 108 108 GLN C C 13 177.914 0.043 . . . . . . 109 GLN C . 19740 1 416 . 1 1 108 108 GLN CA C 13 61.679 0.018 . . . . . . 109 GLN CA . 19740 1 417 . 1 1 108 108 GLN CB C 13 30.656 0.007 . . . . . . 109 GLN CB . 19740 1 418 . 1 1 108 108 GLN N N 15 119.456 0.037 . . . . . . 109 GLN N . 19740 1 419 . 1 1 109 109 ARG H H 1 7.569 0.002 . . . . . . 110 ARG HN . 19740 1 420 . 1 1 109 109 ARG C C 13 177.990 0.020 . . . . . . 110 ARG C . 19740 1 421 . 1 1 109 109 ARG CA C 13 60.514 0.045 . . . . . . 110 ARG CA . 19740 1 422 . 1 1 109 109 ARG CB C 13 29.581 0.004 . . . . . . 110 ARG CB . 19740 1 423 . 1 1 109 109 ARG N N 15 117.142 0.038 . . . . . . 110 ARG N . 19740 1 424 . 1 1 110 110 GLN H H 1 8.330 0.001 . . . . . . 111 GLN HN . 19740 1 425 . 1 1 110 110 GLN HE21 H 1 7.633 0.001 . . . . . . 111 GLN HE21 . 19740 1 426 . 1 1 110 110 GLN HE22 H 1 7.732 0.001 . . . . . . 111 GLN HE22 . 19740 1 427 . 1 1 110 110 GLN C C 13 178.045 0.000 . . . . . . 111 GLN C . 19740 1 428 . 1 1 110 110 GLN CA C 13 58.040 0.017 . . . . . . 111 GLN CA . 19740 1 429 . 1 1 110 110 GLN CB C 13 27.076 0.042 . . . . . . 111 GLN CB . 19740 1 430 . 1 1 110 110 GLN CG C 13 32.653 0.016 . . . . . . 111 GLN CG . 19740 1 431 . 1 1 110 110 GLN N N 15 116.605 0.033 . . . . . . 111 GLN N . 19740 1 432 . 1 1 110 110 GLN NE2 N 15 112.507 0.016 . . . . . . 111 GLN NE2 . 19740 1 433 . 1 1 111 111 PHE H H 1 7.056 0.002 . . . . . . 112 PHE HN . 19740 1 434 . 1 1 111 111 PHE C C 13 177.743 0.017 . . . . . . 112 PHE C . 19740 1 435 . 1 1 111 111 PHE CA C 13 61.337 0.001 . . . . . . 112 PHE CA . 19740 1 436 . 1 1 111 111 PHE CB C 13 39.191 0.001 . . . . . . 112 PHE CB . 19740 1 437 . 1 1 111 111 PHE N N 15 117.825 0.040 . . . . . . 112 PHE N . 19740 1 438 . 1 1 112 112 ARG H H 1 8.674 0.005 . . . . . . 113 ARG HN . 19740 1 439 . 1 1 112 112 ARG C C 13 177.127 0.003 . . . . . . 113 ARG C . 19740 1 440 . 1 1 112 112 ARG CA C 13 59.962 0.006 . . . . . . 113 ARG CA . 19740 1 441 . 1 1 112 112 ARG CB C 13 29.654 0.000 . . . . . . 113 ARG CB . 19740 1 442 . 1 1 112 112 ARG N N 15 121.081 0.039 . . . . . . 113 ARG N . 19740 1 443 . 1 1 113 113 ALA H H 1 7.814 0.002 . . . . . . 114 ALA HN . 19740 1 444 . 1 1 113 113 ALA C C 13 180.048 0.008 . . . . . . 114 ALA C . 19740 1 445 . 1 1 113 113 ALA CA C 13 54.767 0.019 . . . . . . 114 ALA CA . 19740 1 446 . 1 1 113 113 ALA CB C 13 17.099 0.010 . . . . . . 114 ALA CB . 19740 1 447 . 1 1 113 113 ALA N N 15 119.934 0.037 . . . . . . 114 ALA N . 19740 1 448 . 1 1 114 114 LEU H H 1 7.014 0.002 . . . . . . 115 LEU HN . 19740 1 449 . 1 1 114 114 LEU C C 13 178.057 0.008 . . . . . . 115 LEU C . 19740 1 450 . 1 1 114 114 LEU CA C 13 57.162 0.044 . . . . . . 115 LEU CA . 19740 1 451 . 1 1 114 114 LEU CB C 13 40.610 0.020 . . . . . . 115 LEU CB . 19740 1 452 . 1 1 114 114 LEU N N 15 119.823 0.039 . . . . . . 115 LEU N . 19740 1 453 . 1 1 115 115 ALA H H 1 7.934 0.002 . . . . . . 116 ALA HN . 19740 1 454 . 1 1 115 115 ALA C C 13 179.790 0.013 . . . . . . 116 ALA C . 19740 1 455 . 1 1 115 115 ALA CA C 13 54.543 0.057 . . . . . . 116 ALA CA . 19740 1 456 . 1 1 115 115 ALA CB C 13 16.698 0.003 . . . . . . 116 ALA CB . 19740 1 457 . 1 1 115 115 ALA N N 15 119.876 0.035 . . . . . . 116 ALA N . 19740 1 458 . 1 1 116 116 ASN H H 1 8.759 0.038 . . . . . . 117 ASN HN . 19740 1 459 . 1 1 116 116 ASN C C 13 177.301 0.005 . . . . . . 117 ASN C . 19740 1 460 . 1 1 116 116 ASN CA C 13 55.785 0.019 . . . . . . 117 ASN CA . 19740 1 461 . 1 1 116 116 ASN CB C 13 38.668 0.003 . . . . . . 117 ASN CB . 19740 1 462 . 1 1 116 116 ASN N N 15 116.325 0.088 . . . . . . 117 ASN N . 19740 1 463 . 1 1 117 117 GLN H H 1 7.601 0.002 . . . . . . 118 GLN HN . 19740 1 464 . 1 1 117 117 GLN HE21 H 1 7.231 0.001 . . . . . . 118 GLN HE21 . 19740 1 465 . 1 1 117 117 GLN HE22 H 1 6.736 0.004 . . . . . . 118 GLN HE22 . 19740 1 466 . 1 1 117 117 GLN C C 13 176.770 0.007 . . . . . . 118 GLN C . 19740 1 467 . 1 1 117 117 GLN CA C 13 57.821 0.017 . . . . . . 118 GLN CA . 19740 1 468 . 1 1 117 117 GLN CB C 13 27.975 0.022 . . . . . . 118 GLN CB . 19740 1 469 . 1 1 117 117 GLN CG C 13 33.231 0.025 . . . . . . 118 GLN CG . 19740 1 470 . 1 1 117 117 GLN CD C 13 179.780 0.013 . . . . . . 118 GLN CD . 19740 1 471 . 1 1 117 117 GLN N N 15 116.298 0.040 . . . . . . 118 GLN N . 19740 1 472 . 1 1 117 117 GLN NE2 N 15 111.946 0.038 . . . . . . 118 GLN NE2 . 19740 1 473 . 1 1 118 118 VAL H H 1 7.191 0.002 . . . . . . 119 VAL HN . 19740 1 474 . 1 1 118 118 VAL C C 13 175.560 0.000 . . . . . . 119 VAL C . 19740 1 475 . 1 1 118 118 VAL CA C 13 61.611 0.000 . . . . . . 119 VAL CA . 19740 1 476 . 1 1 118 118 VAL CB C 13 31.562 0.000 . . . . . . 119 VAL CB . 19740 1 477 . 1 1 118 118 VAL N N 15 108.753 0.041 . . . . . . 119 VAL N . 19740 1 478 . 1 1 119 119 VAL C C 13 178.435 0.000 . . . . . . 120 VAL C . 19740 1 479 . 1 1 119 119 VAL CA C 13 63.398 0.024 . . . . . . 120 VAL CA . 19740 1 480 . 1 1 119 119 VAL CB C 13 30.612 0.000 . . . . . . 120 VAL CB . 19740 1 481 . 1 1 120 120 GLY H H 1 8.682 0.002 . . . . . . 121 GLY HN . 19740 1 482 . 1 1 120 120 GLY C C 13 174.100 0.000 . . . . . . 121 GLY C . 19740 1 483 . 1 1 120 120 GLY CA C 13 44.974 0.030 . . . . . . 121 GLY CA . 19740 1 484 . 1 1 120 120 GLY N N 15 112.896 0.044 . . . . . . 121 GLY N . 19740 1 485 . 1 1 121 121 MET H H 1 8.214 0.001 . . . . . . 122 MET HN . 19740 1 486 . 1 1 121 121 MET C C 13 175.181 0.000 . . . . . . 122 MET C . 19740 1 487 . 1 1 121 121 MET CA C 13 54.022 0.000 . . . . . . 122 MET CA . 19740 1 488 . 1 1 121 121 MET CB C 13 31.010 0.000 . . . . . . 122 MET CB . 19740 1 489 . 1 1 121 121 MET N N 15 118.278 0.026 . . . . . . 122 MET N . 19740 1 490 . 1 1 122 122 PRO C C 13 179.357 0.014 . . . . . . 123 PRO C . 19740 1 491 . 1 1 122 122 PRO CA C 13 65.583 0.008 . . . . . . 123 PRO CA . 19740 1 492 . 1 1 122 122 PRO CB C 13 30.221 0.000 . . . . . . 123 PRO CB . 19740 1 493 . 1 1 123 123 VAL H H 1 7.178 0.003 . . . . . . 124 VAL HN . 19740 1 494 . 1 1 123 123 VAL C C 13 177.555 0.003 . . . . . . 124 VAL C . 19740 1 495 . 1 1 123 123 VAL CA C 13 64.183 0.011 . . . . . . 124 VAL CA . 19740 1 496 . 1 1 123 123 VAL CB C 13 30.852 0.031 . . . . . . 124 VAL CB . 19740 1 497 . 1 1 123 123 VAL N N 15 116.570 0.038 . . . . . . 124 VAL N . 19740 1 498 . 1 1 124 124 VAL H H 1 7.305 0.003 . . . . . . 125 VAL HN . 19740 1 499 . 1 1 124 124 VAL C C 13 178.042 0.009 . . . . . . 125 VAL C . 19740 1 500 . 1 1 124 124 VAL CA C 13 66.570 0.046 . . . . . . 125 VAL CA . 19740 1 501 . 1 1 124 124 VAL CB C 13 29.774 0.027 . . . . . . 125 VAL CB . 19740 1 502 . 1 1 124 124 VAL N N 15 121.386 0.040 . . . . . . 125 VAL N . 19740 1 503 . 1 1 125 125 ASP H H 1 8.122 0.002 . . . . . . 126 ASP HN . 19740 1 504 . 1 1 125 125 ASP C C 13 179.209 0.011 . . . . . . 126 ASP C . 19740 1 505 . 1 1 125 125 ASP CA C 13 56.918 0.060 . . . . . . 126 ASP CA . 19740 1 506 . 1 1 125 125 ASP CB C 13 39.503 0.004 . . . . . . 126 ASP CB . 19740 1 507 . 1 1 125 125 ASP N N 15 117.481 0.040 . . . . . . 126 ASP N . 19740 1 508 . 1 1 126 126 LYS H H 1 7.139 0.002 . . . . . . 127 LYS HN . 19740 1 509 . 1 1 126 126 LYS C C 13 178.270 0.010 . . . . . . 127 LYS C . 19740 1 510 . 1 1 126 126 LYS CA C 13 57.884 0.010 . . . . . . 127 LYS CA . 19740 1 511 . 1 1 126 126 LYS CB C 13 31.393 0.009 . . . . . . 127 LYS CB . 19740 1 512 . 1 1 126 126 LYS N N 15 118.587 0.041 . . . . . . 127 LYS N . 19740 1 513 . 1 1 127 127 LEU H H 1 7.680 0.002 . . . . . . 128 LEU HN . 19740 1 514 . 1 1 127 127 LEU C C 13 177.415 0.010 . . . . . . 128 LEU C . 19740 1 515 . 1 1 127 127 LEU CA C 13 54.280 0.020 . . . . . . 128 LEU CA . 19740 1 516 . 1 1 127 127 LEU CB C 13 42.558 0.017 . . . . . . 128 LEU CB . 19740 1 517 . 1 1 127 127 LEU N N 15 119.261 0.042 . . . . . . 128 LEU N . 19740 1 518 . 1 1 128 128 GLU H H 1 7.410 0.002 . . . . . . 129 GLU HN . 19740 1 519 . 1 1 128 128 GLU C C 13 177.238 0.058 . . . . . . 129 GLU C . 19740 1 520 . 1 1 128 128 GLU CA C 13 60.499 0.004 . . . . . . 129 GLU CA . 19740 1 521 . 1 1 128 128 GLU CB C 13 28.663 0.024 . . . . . . 129 GLU CB . 19740 1 522 . 1 1 128 128 GLU N N 15 121.056 0.038 . . . . . . 129 GLU N . 19740 1 523 . 1 1 129 129 ASN H H 1 8.537 0.002 . . . . . . 130 ASN HN . 19740 1 524 . 1 1 129 129 ASN C C 13 177.357 0.004 . . . . . . 130 ASN C . 19740 1 525 . 1 1 129 129 ASN CA C 13 56.297 0.036 . . . . . . 130 ASN CA . 19740 1 526 . 1 1 129 129 ASN CB C 13 36.951 0.023 . . . . . . 130 ASN CB . 19740 1 527 . 1 1 129 129 ASN N N 15 116.228 0.040 . . . . . . 130 ASN N . 19740 1 528 . 1 1 130 130 ARG H H 1 7.789 0.002 . . . . . . 131 ARG HN . 19740 1 529 . 1 1 130 130 ARG C C 13 178.767 0.007 . . . . . . 131 ARG C . 19740 1 530 . 1 1 130 130 ARG CA C 13 57.409 0.006 . . . . . . 131 ARG CA . 19740 1 531 . 1 1 130 130 ARG CB C 13 28.381 0.007 . . . . . . 131 ARG CB . 19740 1 532 . 1 1 130 130 ARG N N 15 121.266 0.039 . . . . . . 131 ARG N . 19740 1 533 . 1 1 131 131 ILE H H 1 8.263 0.002 . . . . . . 132 ILE HN . 19740 1 534 . 1 1 131 131 ILE C C 13 177.023 0.013 . . . . . . 132 ILE C . 19740 1 535 . 1 1 131 131 ILE CA C 13 65.653 0.005 . . . . . . 132 ILE CA . 19740 1 536 . 1 1 131 131 ILE CB C 13 37.144 0.020 . . . . . . 132 ILE CB . 19740 1 537 . 1 1 131 131 ILE N N 15 120.408 0.041 . . . . . . 132 ILE N . 19740 1 538 . 1 1 132 132 GLN H H 1 7.985 0.157 . . . . . . 133 GLN HN . 19740 1 539 . 1 1 132 132 GLN HE21 H 1 6.658 0.001 . . . . . . 133 GLN HE21 . 19740 1 540 . 1 1 132 132 GLN HE22 H 1 7.488 0.002 . . . . . . 133 GLN HE22 . 19740 1 541 . 1 1 132 132 GLN C C 13 177.918 0.011 . . . . . . 133 GLN C . 19740 1 542 . 1 1 132 132 GLN CA C 13 59.191 0.000 . . . . . . 133 GLN CA . 19740 1 543 . 1 1 132 132 GLN CB C 13 27.400 0.019 . . . . . . 133 GLN CB . 19740 1 544 . 1 1 132 132 GLN CG C 13 32.654 0.019 . . . . . . 133 GLN CG . 19740 1 545 . 1 1 132 132 GLN CD C 13 179.440 0.015 . . . . . . 133 GLN CD . 19740 1 546 . 1 1 132 132 GLN N N 15 117.707 1.667 . . . . . . 133 GLN N . 19740 1 547 . 1 1 132 132 GLN NE2 N 15 112.528 0.041 . . . . . . 133 GLN NE2 . 19740 1 548 . 1 1 133 133 GLU H H 1 8.295 0.001 . . . . . . 134 GLU HN . 19740 1 549 . 1 1 133 133 GLU C C 13 179.661 0.018 . . . . . . 134 GLU C . 19740 1 550 . 1 1 133 133 GLU CA C 13 59.016 0.020 . . . . . . 134 GLU CA . 19740 1 551 . 1 1 133 133 GLU CB C 13 29.310 0.027 . . . . . . 134 GLU CB . 19740 1 552 . 1 1 133 133 GLU N N 15 118.837 0.038 . . . . . . 134 GLU N . 19740 1 553 . 1 1 134 134 LEU H H 1 8.266 0.002 . . . . . . 135 LEU HN . 19740 1 554 . 1 1 134 134 LEU C C 13 178.394 0.000 . . . . . . 135 LEU C . 19740 1 555 . 1 1 134 134 LEU CA C 13 57.426 0.000 . . . . . . 135 LEU CA . 19740 1 556 . 1 1 134 134 LEU CB C 13 40.499 0.000 . . . . . . 135 LEU CB . 19740 1 557 . 1 1 134 134 LEU N N 15 121.088 0.036 . . . . . . 135 LEU N . 19740 1 558 . 1 1 136 136 CYS C C 13 176.697 0.002 . . . . . . 137 CYS C . 19740 1 559 . 1 1 136 136 CYS CA C 13 64.128 0.000 . . . . . . 137 CYS CA . 19740 1 560 . 1 1 136 136 CYS CB C 13 26.288 0.000 . . . . . . 137 CYS CB . 19740 1 561 . 1 1 137 137 SER H H 1 8.173 0.002 . . . . . . 138 SER HN . 19740 1 562 . 1 1 137 137 SER C C 13 178.156 0.000 . . . . . . 138 SER C . 19740 1 563 . 1 1 137 137 SER CA C 13 61.072 0.009 . . . . . . 138 SER CA . 19740 1 564 . 1 1 137 137 SER CB C 13 62.157 0.022 . . . . . . 138 SER CB . 19740 1 565 . 1 1 137 137 SER N N 15 115.117 0.042 . . . . . . 138 SER N . 19740 1 566 . 1 1 138 138 LEU H H 1 8.455 0.003 . . . . . . 139 LEU HN . 19740 1 567 . 1 1 138 138 LEU C C 13 180.191 0.000 . . . . . . 139 LEU C . 19740 1 568 . 1 1 138 138 LEU CA C 13 57.556 0.000 . . . . . . 139 LEU CA . 19740 1 569 . 1 1 138 138 LEU CB C 13 41.786 0.000 . . . . . . 139 LEU CB . 19740 1 570 . 1 1 138 138 LEU N N 15 122.525 0.073 . . . . . . 139 LEU N . 19740 1 571 . 1 1 139 139 ILE C C 13 177.980 0.004 . . . . . . 140 ILE C . 19740 1 572 . 1 1 139 139 ILE CA C 13 65.914 0.000 . . . . . . 140 ILE CA . 19740 1 573 . 1 1 139 139 ILE CB C 13 37.065 0.000 . . . . . . 140 ILE CB . 19740 1 574 . 1 1 140 140 GLU H H 1 8.506 0.002 . . . . . . 141 GLU HN . 19740 1 575 . 1 1 140 140 GLU C C 13 178.431 0.010 . . . . . . 141 GLU C . 19740 1 576 . 1 1 140 140 GLU CA C 13 57.808 0.027 . . . . . . 141 GLU CA . 19740 1 577 . 1 1 140 140 GLU CB C 13 27.739 0.002 . . . . . . 141 GLU CB . 19740 1 578 . 1 1 140 140 GLU N N 15 119.519 0.045 . . . . . . 141 GLU N . 19740 1 579 . 1 1 141 141 SER H H 1 7.445 0.002 . . . . . . 142 SER HN . 19740 1 580 . 1 1 141 141 SER C C 13 176.195 0.000 . . . . . . 142 SER C . 19740 1 581 . 1 1 141 141 SER CA C 13 60.925 0.010 . . . . . . 142 SER CA . 19740 1 582 . 1 1 141 141 SER CB C 13 62.360 0.031 . . . . . . 142 SER CB . 19740 1 583 . 1 1 141 141 SER N N 15 112.422 0.044 . . . . . . 142 SER N . 19740 1 584 . 1 1 142 142 LEU H H 1 7.373 0.002 . . . . . . 143 LEU HN . 19740 1 585 . 1 1 142 142 LEU C C 13 178.888 0.000 . . . . . . 143 LEU C . 19740 1 586 . 1 1 142 142 LEU CA C 13 56.287 0.000 . . . . . . 143 LEU CA . 19740 1 587 . 1 1 142 142 LEU CB C 13 42.024 0.000 . . . . . . 143 LEU CB . 19740 1 588 . 1 1 142 142 LEU N N 15 119.685 0.039 . . . . . . 143 LEU N . 19740 1 589 . 1 1 144 144 PRO C C 13 177.230 0.005 . . . . . . 145 PRO C . 19740 1 590 . 1 1 144 144 PRO CA C 13 64.459 0.013 . . . . . . 145 PRO CA . 19740 1 591 . 1 1 144 144 PRO CB C 13 30.647 0.000 . . . . . . 145 PRO CB . 19740 1 592 . 1 1 145 145 GLN H H 1 8.369 0.002 . . . . . . 146 GLN HN . 19740 1 593 . 1 1 145 145 GLN HE21 H 1 7.438 0.001 . . . . . . 146 GLN HE21 . 19740 1 594 . 1 1 145 145 GLN HE22 H 1 6.774 0.001 . . . . . . 146 GLN HE22 . 19740 1 595 . 1 1 145 145 GLN C C 13 178.497 0.009 . . . . . . 146 GLN C . 19740 1 596 . 1 1 145 145 GLN CA C 13 57.336 0.015 . . . . . . 146 GLN CA . 19740 1 597 . 1 1 145 145 GLN CB C 13 28.869 0.005 . . . . . . 146 GLN CB . 19740 1 598 . 1 1 145 145 GLN CG C 13 32.915 0.000 . . . . . . 146 GLN CG . 19740 1 599 . 1 1 145 145 GLN N N 15 113.795 0.037 . . . . . . 146 GLN N . 19740 1 600 . 1 1 145 145 GLN NE2 N 15 112.547 0.044 . . . . . . 146 GLN NE2 . 19740 1 601 . 1 1 146 146 GLY H H 1 6.508 0.002 . . . . . . 147 GLY HN . 19740 1 602 . 1 1 146 146 GLY C C 13 170.529 0.018 . . . . . . 147 GLY C . 19740 1 603 . 1 1 146 146 GLY CA C 13 44.191 0.009 . . . . . . 147 GLY CA . 19740 1 604 . 1 1 146 146 GLY N N 15 101.566 0.042 . . . . . . 147 GLY N . 19740 1 605 . 1 1 147 147 GLN H H 1 5.899 0.002 . . . . . . 148 GLN HN . 19740 1 606 . 1 1 147 147 GLN HE21 H 1 7.336 0.001 . . . . . . 148 GLN HE21 . 19740 1 607 . 1 1 147 147 GLN HE22 H 1 6.621 0.001 . . . . . . 148 GLN HE22 . 19740 1 608 . 1 1 147 147 GLN C C 13 174.464 0.014 . . . . . . 148 GLN C . 19740 1 609 . 1 1 147 147 GLN CA C 13 53.683 0.015 . . . . . . 148 GLN CA . 19740 1 610 . 1 1 147 147 GLN CB C 13 29.170 0.038 . . . . . . 148 GLN CB . 19740 1 611 . 1 1 147 147 GLN CG C 13 30.868 0.003 . . . . . . 148 GLN CG . 19740 1 612 . 1 1 147 147 GLN CD C 13 181.000 0.000 . . . . . . 148 GLN CD . 19740 1 613 . 1 1 147 147 GLN N N 15 111.069 0.032 . . . . . . 148 GLN N . 19740 1 614 . 1 1 147 147 GLN NE2 N 15 112.292 0.033 . . . . . . 148 GLN NE2 . 19740 1 615 . 1 1 148 148 CYS H H 1 8.291 0.002 . . . . . . 149 CYS HN . 19740 1 616 . 1 1 148 148 CYS C C 13 171.782 0.009 . . . . . . 149 CYS C . 19740 1 617 . 1 1 148 148 CYS CA C 13 56.430 0.027 . . . . . . 149 CYS CA . 19740 1 618 . 1 1 148 148 CYS CB C 13 30.117 0.008 . . . . . . 149 CYS CB . 19740 1 619 . 1 1 148 148 CYS N N 15 110.383 0.037 . . . . . . 149 CYS N . 19740 1 620 . 1 1 149 149 ASN H H 1 9.159 0.001 . . . . . . 150 ASN HN . 19740 1 621 . 1 1 149 149 ASN C C 13 176.110 0.009 . . . . . . 150 ASN C . 19740 1 622 . 1 1 149 149 ASN CA C 13 51.610 0.009 . . . . . . 150 ASN CA . 19740 1 623 . 1 1 149 149 ASN CB C 13 36.730 0.035 . . . . . . 150 ASN CB . 19740 1 624 . 1 1 149 149 ASN N N 15 119.637 0.036 . . . . . . 150 ASN N . 19740 1 625 . 1 1 150 150 PHE H H 1 9.406 0.002 . . . . . . 151 PHE HN . 19740 1 626 . 1 1 150 150 PHE C C 13 176.705 0.009 . . . . . . 151 PHE C . 19740 1 627 . 1 1 150 150 PHE CA C 13 62.828 0.025 . . . . . . 151 PHE CA . 19740 1 628 . 1 1 150 150 PHE CB C 13 39.568 0.027 . . . . . . 151 PHE CB . 19740 1 629 . 1 1 150 150 PHE N N 15 123.876 0.038 . . . . . . 151 PHE N . 19740 1 630 . 1 1 151 151 THR H H 1 7.294 0.002 . . . . . . 152 THR HN . 19740 1 631 . 1 1 151 151 THR C C 13 173.985 0.000 . . . . . . 152 THR C . 19740 1 632 . 1 1 151 151 THR CA C 13 64.567 0.009 . . . . . . 152 THR CA . 19740 1 633 . 1 1 151 151 THR CB C 13 66.756 0.013 . . . . . . 152 THR CB . 19740 1 634 . 1 1 151 151 THR N N 15 109.400 0.039 . . . . . . 152 THR N . 19740 1 635 . 1 1 152 152 GLU H H 1 6.244 0.003 . . . . . . 153 GLU HN . 19740 1 636 . 1 1 152 152 GLU C C 13 177.705 0.000 . . . . . . 153 GLU C . 19740 1 637 . 1 1 152 152 GLU CA C 13 57.289 0.000 . . . . . . 153 GLU CA . 19740 1 638 . 1 1 152 152 GLU CB C 13 30.646 0.000 . . . . . . 153 GLU CB . 19740 1 639 . 1 1 152 152 GLU N N 15 118.339 0.037 . . . . . . 153 GLU N . 19740 1 640 . 1 1 162 162 ILE C C 13 176.438 0.000 . . . . . . 163 ILE C . 19740 1 641 . 1 1 162 162 ILE CA C 13 62.531 0.000 . . . . . . 163 ILE CA . 19740 1 642 . 1 1 162 162 ILE CB C 13 34.696 0.000 . . . . . . 163 ILE CB . 19740 1 643 . 1 1 163 163 PHE H H 1 7.839 0.002 . . . . . . 164 PHE HN . 19740 1 644 . 1 1 163 163 PHE C C 13 176.793 0.012 . . . . . . 164 PHE C . 19740 1 645 . 1 1 163 163 PHE CA C 13 62.371 0.017 . . . . . . 164 PHE CA . 19740 1 646 . 1 1 163 163 PHE CB C 13 37.828 0.010 . . . . . . 164 PHE CB . 19740 1 647 . 1 1 163 163 PHE N N 15 121.151 0.036 . . . . . . 164 PHE N . 19740 1 648 . 1 1 164 164 MET H H 1 8.926 0.002 . . . . . . 165 MET HN . 19740 1 649 . 1 1 164 164 MET C C 13 178.782 0.008 . . . . . . 165 MET C . 19740 1 650 . 1 1 164 164 MET CA C 13 57.506 0.451 . . . . . . 165 MET CA . 19740 1 651 . 1 1 164 164 MET CB C 13 29.181 0.309 . . . . . . 165 MET CB . 19740 1 652 . 1 1 164 164 MET N N 15 116.339 0.036 . . . . . . 165 MET N . 19740 1 653 . 1 1 165 165 LEU H H 1 7.321 0.002 . . . . . . 166 LEU HN . 19740 1 654 . 1 1 165 165 LEU C C 13 180.052 0.028 . . . . . . 166 LEU C . 19740 1 655 . 1 1 165 165 LEU CA C 13 57.229 0.029 . . . . . . 166 LEU CA . 19740 1 656 . 1 1 165 165 LEU CB C 13 40.358 0.000 . . . . . . 166 LEU CB . 19740 1 657 . 1 1 165 165 LEU N N 15 120.454 0.036 . . . . . . 166 LEU N . 19740 1 658 . 1 1 166 166 LEU H H 1 7.718 0.002 . . . . . . 167 LEU HN . 19740 1 659 . 1 1 166 166 LEU C C 13 178.236 0.022 . . . . . . 167 LEU C . 19740 1 660 . 1 1 166 166 LEU CA C 13 57.162 0.055 . . . . . . 167 LEU CA . 19740 1 661 . 1 1 166 166 LEU CB C 13 40.704 0.037 . . . . . . 167 LEU CB . 19740 1 662 . 1 1 166 166 LEU N N 15 123.014 0.040 . . . . . . 167 LEU N . 19740 1 663 . 1 1 167 167 ALA H H 1 8.279 0.003 . . . . . . 168 ALA HN . 19740 1 664 . 1 1 167 167 ALA C C 13 174.912 0.000 . . . . . . 168 ALA C . 19740 1 665 . 1 1 167 167 ALA CA C 13 52.140 0.036 . . . . . . 168 ALA CA . 19740 1 666 . 1 1 167 167 ALA CB C 13 17.517 0.031 . . . . . . 168 ALA CB . 19740 1 667 . 1 1 167 167 ALA N N 15 118.671 0.037 . . . . . . 168 ALA N . 19740 1 668 . 1 1 168 168 GLY H H 1 7.651 0.002 . . . . . . 169 GLY HN . 19740 1 669 . 1 1 168 168 GLY C C 13 175.253 0.008 . . . . . . 169 GLY C . 19740 1 670 . 1 1 168 168 GLY CA C 13 46.856 0.014 . . . . . . 169 GLY CA . 19740 1 671 . 1 1 168 168 GLY N N 15 108.312 0.043 . . . . . . 169 GLY N . 19740 1 672 . 1 1 169 169 LEU H H 1 8.311 0.002 . . . . . . 170 LEU HN . 19740 1 673 . 1 1 169 169 LEU C C 13 173.709 0.000 . . . . . . 170 LEU C . 19740 1 674 . 1 1 169 169 LEU CA C 13 50.860 0.000 . . . . . . 170 LEU CA . 19740 1 675 . 1 1 169 169 LEU CB C 13 41.454 0.000 . . . . . . 170 LEU CB . 19740 1 676 . 1 1 169 169 LEU N N 15 122.191 0.029 . . . . . . 170 LEU N . 19740 1 677 . 1 1 170 170 PRO C C 13 178.237 0.004 . . . . . . 171 PRO C . 19740 1 678 . 1 1 170 170 PRO CA C 13 62.111 0.028 . . . . . . 171 PRO CA . 19740 1 679 . 1 1 170 170 PRO CB C 13 31.516 0.000 . . . . . . 171 PRO CB . 19740 1 680 . 1 1 171 171 GLU H H 1 8.722 0.003 . . . . . . 172 GLU HN . 19740 1 681 . 1 1 171 171 GLU C C 13 179.571 0.018 . . . . . . 172 GLU C . 19740 1 682 . 1 1 171 171 GLU CA C 13 58.962 0.006 . . . . . . 172 GLU CA . 19740 1 683 . 1 1 171 171 GLU CB C 13 28.489 0.061 . . . . . . 172 GLU CB . 19740 1 684 . 1 1 171 171 GLU N N 15 122.920 0.037 . . . . . . 172 GLU N . 19740 1 685 . 1 1 172 172 GLU H H 1 9.409 0.002 . . . . . . 173 GLU HN . 19740 1 686 . 1 1 172 172 GLU C C 13 177.021 0.007 . . . . . . 173 GLU C . 19740 1 687 . 1 1 172 172 GLU CA C 13 58.564 0.034 . . . . . . 173 GLU CA . 19740 1 688 . 1 1 172 172 GLU CB C 13 27.792 0.002 . . . . . . 173 GLU CB . 19740 1 689 . 1 1 172 172 GLU N N 15 119.655 0.042 . . . . . . 173 GLU N . 19740 1 690 . 1 1 173 173 ASP H H 1 7.575 0.002 . . . . . . 174 ASP HN . 19740 1 691 . 1 1 173 173 ASP C C 13 176.011 0.008 . . . . . . 174 ASP C . 19740 1 692 . 1 1 173 173 ASP CA C 13 54.742 0.009 . . . . . . 174 ASP CA . 19740 1 693 . 1 1 173 173 ASP CB C 13 39.730 0.018 . . . . . . 174 ASP CB . 19740 1 694 . 1 1 173 173 ASP N N 15 118.873 0.038 . . . . . . 174 ASP N . 19740 1 695 . 1 1 174 174 ILE H H 1 7.587 0.002 . . . . . . 175 ILE HN . 19740 1 696 . 1 1 174 174 ILE C C 13 173.567 0.000 . . . . . . 175 ILE C . 19740 1 697 . 1 1 174 174 ILE CA C 13 67.508 0.000 . . . . . . 175 ILE CA . 19740 1 698 . 1 1 174 174 ILE N N 15 119.055 0.038 . . . . . . 175 ILE N . 19740 1 699 . 1 1 179 179 TYR C C 13 173.882 0.009 . . . . . . 180 TYR C . 19740 1 700 . 1 1 179 179 TYR CA C 13 62.449 0.037 . . . . . . 180 TYR CA . 19740 1 701 . 1 1 179 179 TYR CB C 13 31.879 0.000 . . . . . . 180 TYR CB . 19740 1 702 . 1 1 180 180 LEU H H 1 8.006 0.002 . . . . . . 181 LEU HN . 19740 1 703 . 1 1 180 180 LEU C C 13 174.471 0.000 . . . . . . 181 LEU C . 19740 1 704 . 1 1 180 180 LEU CA C 13 55.579 0.013 . . . . . . 181 LEU CA . 19740 1 705 . 1 1 180 180 LEU CB C 13 40.206 0.145 . . . . . . 181 LEU CB . 19740 1 706 . 1 1 180 180 LEU N N 15 117.474 0.054 . . . . . . 181 LEU N . 19740 1 707 . 1 1 181 181 THR H H 1 6.933 0.003 . . . . . . 182 THR HN . 19740 1 708 . 1 1 181 181 THR C C 13 177.393 0.000 . . . . . . 182 THR C . 19740 1 709 . 1 1 181 181 THR CA C 13 62.597 0.147 . . . . . . 182 THR CA . 19740 1 710 . 1 1 181 181 THR CB C 13 61.124 0.005 . . . . . . 182 THR CB . 19740 1 711 . 1 1 181 181 THR N N 15 115.744 0.044 . . . . . . 182 THR N . 19740 1 712 . 1 1 182 182 ASP H H 1 8.236 0.014 . . . . . . 183 ASP HN . 19740 1 713 . 1 1 182 182 ASP C C 13 178.040 0.021 . . . . . . 183 ASP C . 19740 1 714 . 1 1 182 182 ASP CA C 13 56.513 0.002 . . . . . . 183 ASP CA . 19740 1 715 . 1 1 182 182 ASP CB C 13 39.540 0.064 . . . . . . 183 ASP CB . 19740 1 716 . 1 1 182 182 ASP N N 15 122.630 0.038 . . . . . . 183 ASP N . 19740 1 717 . 1 1 183 183 GLN H H 1 7.341 0.002 . . . . . . 184 GLN HN . 19740 1 718 . 1 1 183 183 GLN C C 13 177.313 0.007 . . . . . . 184 GLN C . 19740 1 719 . 1 1 183 183 GLN CA C 13 55.991 0.032 . . . . . . 184 GLN CA . 19740 1 720 . 1 1 183 183 GLN CB C 13 26.870 0.009 . . . . . . 184 GLN CB . 19740 1 721 . 1 1 183 183 GLN N N 15 114.108 0.039 . . . . . . 184 GLN N . 19740 1 722 . 1 1 184 184 MET H H 1 7.708 0.002 . . . . . . 185 MET HN . 19740 1 723 . 1 1 184 184 MET C C 13 176.691 0.000 . . . . . . 185 MET C . 19740 1 724 . 1 1 184 184 MET CA C 13 58.751 0.009 . . . . . . 185 MET CA . 19740 1 725 . 1 1 184 184 MET CB C 13 33.501 0.010 . . . . . . 185 MET CB . 19740 1 726 . 1 1 184 184 MET N N 15 115.639 0.045 . . . . . . 185 MET N . 19740 1 727 . 1 1 185 185 THR H H 1 7.841 0.004 . . . . . . 186 THR HN . 19740 1 728 . 1 1 185 185 THR C C 13 176.024 0.004 . . . . . . 186 THR C . 19740 1 729 . 1 1 185 185 THR CA C 13 62.748 0.011 . . . . . . 186 THR CA . 19740 1 730 . 1 1 185 185 THR CB C 13 69.663 0.013 . . . . . . 186 THR CB . 19740 1 731 . 1 1 185 185 THR N N 15 106.972 0.040 . . . . . . 186 THR N . 19740 1 732 . 1 1 186 186 ARG H H 1 8.775 0.000 . . . . . . 187 ARG HN . 19740 1 733 . 1 1 186 186 ARG C C 13 172.682 0.000 . . . . . . 187 ARG C . 19740 1 734 . 1 1 186 186 ARG CA C 13 53.960 0.000 . . . . . . 187 ARG CA . 19740 1 735 . 1 1 186 186 ARG CB C 13 31.213 0.000 . . . . . . 187 ARG CB . 19740 1 736 . 1 1 186 186 ARG N N 15 122.751 0.044 . . . . . . 187 ARG N . 19740 1 737 . 1 1 188 188 ASP C C 13 177.977 0.000 . . . . . . 189 ASP C . 19740 1 738 . 1 1 188 188 ASP CA C 13 52.704 0.013 . . . . . . 189 ASP CA . 19740 1 739 . 1 1 188 188 ASP CB C 13 40.446 0.000 . . . . . . 189 ASP CB . 19740 1 740 . 1 1 189 189 GLY H H 1 8.762 0.001 . . . . . . 190 GLY HN . 19740 1 741 . 1 1 189 189 GLY C C 13 175.406 0.002 . . . . . . 190 GLY C . 19740 1 742 . 1 1 189 189 GLY CA C 13 44.593 0.004 . . . . . . 190 GLY CA . 19740 1 743 . 1 1 189 189 GLY N N 15 110.336 0.045 . . . . . . 190 GLY N . 19740 1 744 . 1 1 190 190 SER H H 1 8.833 0.002 . . . . . . 191 SER HN . 19740 1 745 . 1 1 190 190 SER C C 13 174.528 0.055 . . . . . . 191 SER C . 19740 1 746 . 1 1 190 190 SER CA C 13 60.550 0.020 . . . . . . 191 SER CA . 19740 1 747 . 1 1 190 190 SER CB C 13 62.709 0.023 . . . . . . 191 SER CB . 19740 1 748 . 1 1 190 190 SER N N 15 119.500 0.031 . . . . . . 191 SER N . 19740 1 749 . 1 1 191 191 MET H H 1 8.380 0.002 . . . . . . 192 MET HN . 19740 1 750 . 1 1 191 191 MET C C 13 176.304 0.005 . . . . . . 192 MET C . 19740 1 751 . 1 1 191 191 MET CA C 13 55.087 0.014 . . . . . . 192 MET CA . 19740 1 752 . 1 1 191 191 MET CB C 13 36.815 0.002 . . . . . . 192 MET CB . 19740 1 753 . 1 1 191 191 MET N N 15 120.941 0.043 . . . . . . 192 MET N . 19740 1 754 . 1 1 192 192 THR H H 1 8.933 0.002 . . . . . . 193 THR HN . 19740 1 755 . 1 1 192 192 THR C C 13 174.563 0.014 . . . . . . 193 THR C . 19740 1 756 . 1 1 192 192 THR CA C 13 60.874 0.021 . . . . . . 193 THR CA . 19740 1 757 . 1 1 192 192 THR CB C 13 70.301 0.038 . . . . . . 193 THR CB . 19740 1 758 . 1 1 192 192 THR N N 15 116.671 0.039 . . . . . . 193 THR N . 19740 1 759 . 1 1 193 193 PHE H H 1 8.747 0.080 . . . . . . 194 PHE HN . 19740 1 760 . 1 1 193 193 PHE C C 13 178.136 1.372 . . . . . . 194 PHE C . 19740 1 761 . 1 1 193 193 PHE CA C 13 58.676 3.663 . . . . . . 194 PHE CA . 19740 1 762 . 1 1 193 193 PHE CB C 13 37.750 0.013 . . . . . . 194 PHE CB . 19740 1 763 . 1 1 193 193 PHE N N 15 121.364 2.190 . . . . . . 194 PHE N . 19740 1 764 . 1 1 195 195 GLU H H 1 7.667 0.002 . . . . . . 196 GLU HN . 19740 1 765 . 1 1 195 195 GLU C C 13 179.502 0.010 . . . . . . 196 GLU C . 19740 1 766 . 1 1 195 195 GLU CA C 13 58.511 0.003 . . . . . . 196 GLU CA . 19740 1 767 . 1 1 195 195 GLU CB C 13 29.404 0.009 . . . . . . 196 GLU CB . 19740 1 768 . 1 1 195 195 GLU N N 15 117.772 0.033 . . . . . . 196 GLU N . 19740 1 769 . 1 1 196 196 ALA H H 1 8.022 0.002 . . . . . . 197 ALA HN . 19740 1 770 . 1 1 196 196 ALA C C 13 178.310 0.007 . . . . . . 197 ALA C . 19740 1 771 . 1 1 196 196 ALA CA C 13 54.884 0.017 . . . . . . 197 ALA CA . 19740 1 772 . 1 1 196 196 ALA CB C 13 17.178 0.011 . . . . . . 197 ALA CB . 19740 1 773 . 1 1 196 196 ALA N N 15 125.282 0.035 . . . . . . 197 ALA N . 19740 1 774 . 1 1 197 197 LYS H H 1 8.415 0.002 . . . . . . 198 LYS HN . 19740 1 775 . 1 1 197 197 LYS C C 13 177.440 0.009 . . . . . . 198 LYS C . 19740 1 776 . 1 1 197 197 LYS CA C 13 58.899 0.000 . . . . . . 198 LYS CA . 19740 1 777 . 1 1 197 197 LYS CB C 13 29.874 0.011 . . . . . . 198 LYS CB . 19740 1 778 . 1 1 197 197 LYS N N 15 119.033 0.035 . . . . . . 198 LYS N . 19740 1 779 . 1 1 198 198 GLU H H 1 7.939 0.001 . . . . . . 199 GLU HN . 19740 1 780 . 1 1 198 198 GLU C C 13 178.796 0.000 . . . . . . 199 GLU C . 19740 1 781 . 1 1 198 198 GLU CA C 13 58.846 0.058 . . . . . . 199 GLU CA . 19740 1 782 . 1 1 198 198 GLU CB C 13 28.149 0.000 . . . . . . 199 GLU CB . 19740 1 783 . 1 1 198 198 GLU N N 15 117.109 0.041 . . . . . . 199 GLU N . 19740 1 784 . 1 1 201 201 TYR H H 1 7.649 0.001 . . . . . . 202 TYR HN . 19740 1 785 . 1 1 201 201 TYR C C 13 176.354 0.004 . . . . . . 202 TYR C . 19740 1 786 . 1 1 201 201 TYR CA C 13 58.261 0.001 . . . . . . 202 TYR CA . 19740 1 787 . 1 1 201 201 TYR CB C 13 30.011 0.000 . . . . . . 202 TYR CB . 19740 1 788 . 1 1 201 201 TYR N N 15 116.961 0.047 . . . . . . 202 TYR N . 19740 1 789 . 1 1 202 202 ASP H H 1 7.567 0.002 . . . . . . 203 ASP HN . 19740 1 790 . 1 1 202 202 ASP C C 13 179.095 0.009 . . . . . . 203 ASP C . 19740 1 791 . 1 1 202 202 ASP CA C 13 57.079 0.014 . . . . . . 203 ASP CA . 19740 1 792 . 1 1 202 202 ASP CB C 13 41.404 0.045 . . . . . . 203 ASP CB . 19740 1 793 . 1 1 202 202 ASP N N 15 117.394 0.039 . . . . . . 203 ASP N . 19740 1 794 . 1 1 203 203 TYR H H 1 9.047 0.002 . . . . . . 204 TYR HN . 19740 1 795 . 1 1 203 203 TYR C C 13 177.165 0.007 . . . . . . 204 TYR C . 19740 1 796 . 1 1 203 203 TYR CA C 13 57.103 0.000 . . . . . . 204 TYR CA . 19740 1 797 . 1 1 203 203 TYR CB C 13 31.132 0.005 . . . . . . 204 TYR CB . 19740 1 798 . 1 1 203 203 TYR N N 15 120.421 0.046 . . . . . . 204 TYR N . 19740 1 799 . 1 1 204 204 LEU H H 1 7.529 0.002 . . . . . . 205 LEU HN . 19740 1 800 . 1 1 204 204 LEU C C 13 177.553 0.016 . . . . . . 205 LEU C . 19740 1 801 . 1 1 204 204 LEU CA C 13 61.288 0.018 . . . . . . 205 LEU CA . 19740 1 802 . 1 1 204 204 LEU CB C 13 37.199 0.011 . . . . . . 205 LEU CB . 19740 1 803 . 1 1 204 204 LEU N N 15 118.983 0.043 . . . . . . 205 LEU N . 19740 1 804 . 1 1 205 205 ILE H H 1 7.383 0.002 . . . . . . 206 ILE HN . 19740 1 805 . 1 1 205 205 ILE C C 13 178.808 0.012 . . . . . . 206 ILE C . 19740 1 806 . 1 1 205 205 ILE CA C 13 57.400 0.026 . . . . . . 206 ILE CA . 19740 1 807 . 1 1 205 205 ILE CB C 13 40.950 0.025 . . . . . . 206 ILE CB . 19740 1 808 . 1 1 205 205 ILE N N 15 116.571 0.042 . . . . . . 206 ILE N . 19740 1 809 . 1 1 206 206 PRO C C 13 179.450 0.017 . . . . . . 207 PRO C . 19740 1 810 . 1 1 206 206 PRO CA C 13 64.905 0.022 . . . . . . 207 PRO CA . 19740 1 811 . 1 1 206 206 PRO CB C 13 30.172 0.000 . . . . . . 207 PRO CB . 19740 1 812 . 1 1 207 207 ILE H H 1 6.628 0.002 . . . . . . 208 ILE HN . 19740 1 813 . 1 1 207 207 ILE C C 13 177.915 0.025 . . . . . . 208 ILE C . 19740 1 814 . 1 1 207 207 ILE CA C 13 63.986 0.017 . . . . . . 208 ILE CA . 19740 1 815 . 1 1 207 207 ILE CB C 13 37.481 0.004 . . . . . . 208 ILE CB . 19740 1 816 . 1 1 207 207 ILE N N 15 119.857 0.040 . . . . . . 208 ILE N . 19740 1 817 . 1 1 208 208 ILE H H 1 8.306 0.002 . . . . . . 209 ILE HN . 19740 1 818 . 1 1 208 208 ILE C C 13 177.319 0.007 . . . . . . 209 ILE C . 19740 1 819 . 1 1 208 208 ILE CA C 13 64.908 0.010 . . . . . . 209 ILE CA . 19740 1 820 . 1 1 208 208 ILE CB C 13 36.445 0.008 . . . . . . 209 ILE CB . 19740 1 821 . 1 1 208 208 ILE N N 15 120.759 0.036 . . . . . . 209 ILE N . 19740 1 822 . 1 1 209 209 GLU H H 1 7.705 0.002 . . . . . . 210 GLU HN . 19740 1 823 . 1 1 209 209 GLU C C 13 179.745 0.000 . . . . . . 210 GLU C . 19740 1 824 . 1 1 209 209 GLU CA C 13 58.817 0.006 . . . . . . 210 GLU CA . 19740 1 825 . 1 1 209 209 GLU CB C 13 28.134 0.013 . . . . . . 210 GLU CB . 19740 1 826 . 1 1 209 209 GLU N N 15 117.003 0.036 . . . . . . 210 GLU N . 19740 1 827 . 1 1 210 210 GLN H H 1 7.737 0.002 . . . . . . 211 GLN HN . 19740 1 828 . 1 1 210 210 GLN C C 13 179.129 0.003 . . . . . . 211 GLN C . 19740 1 829 . 1 1 210 210 GLN CA C 13 58.569 0.012 . . . . . . 211 GLN CA . 19740 1 830 . 1 1 210 210 GLN CB C 13 27.632 0.000 . . . . . . 211 GLN CB . 19740 1 831 . 1 1 210 210 GLN N N 15 118.742 0.042 . . . . . . 211 GLN N . 19740 1 832 . 1 1 211 211 ARG H H 1 8.093 0.002 . . . . . . 212 ARG HN . 19740 1 833 . 1 1 211 211 ARG C C 13 177.087 0.005 . . . . . . 212 ARG C . 19740 1 834 . 1 1 211 211 ARG CA C 13 57.221 0.027 . . . . . . 212 ARG CA . 19740 1 835 . 1 1 211 211 ARG CB C 13 27.990 0.000 . . . . . . 212 ARG CB . 19740 1 836 . 1 1 211 211 ARG N N 15 118.382 0.041 . . . . . . 212 ARG N . 19740 1 837 . 1 1 212 212 ARG H H 1 7.615 0.001 . . . . . . 213 ARG HN . 19740 1 838 . 1 1 212 212 ARG C C 13 177.690 0.012 . . . . . . 213 ARG C . 19740 1 839 . 1 1 212 212 ARG CA C 13 57.608 0.053 . . . . . . 213 ARG CA . 19740 1 840 . 1 1 212 212 ARG CB C 13 29.904 0.035 . . . . . . 213 ARG CB . 19740 1 841 . 1 1 212 212 ARG N N 15 118.664 0.046 . . . . . . 213 ARG N . 19740 1 842 . 1 1 213 213 GLN H H 1 7.328 0.220 . . . . . . 214 GLN HN . 19740 1 843 . 1 1 213 213 GLN HE21 H 1 7.535 0.002 . . . . . . 214 GLN HE21 . 19740 1 844 . 1 1 213 213 GLN HE22 H 1 6.847 0.000 . . . . . . 214 GLN HE22 . 19740 1 845 . 1 1 213 213 GLN C C 13 176.938 0.012 . . . . . . 214 GLN C . 19740 1 846 . 1 1 213 213 GLN CA C 13 57.165 0.009 . . . . . . 214 GLN CA . 19740 1 847 . 1 1 213 213 GLN CB C 13 28.150 0.040 . . . . . . 214 GLN CB . 19740 1 848 . 1 1 213 213 GLN CG C 13 33.087 0.068 . . . . . . 214 GLN CG . 19740 1 849 . 1 1 213 213 GLN CD C 13 180.307 0.004 . . . . . . 214 GLN CD . 19740 1 850 . 1 1 213 213 GLN N N 15 116.719 2.004 . . . . . . 214 GLN N . 19740 1 851 . 1 1 213 213 GLN NE2 N 15 113.196 0.052 . . . . . . 214 GLN NE2 . 19740 1 852 . 1 1 214 214 LYS H H 1 7.897 0.002 . . . . . . 215 LYS HN . 19740 1 853 . 1 1 214 214 LYS C C 13 171.696 0.000 . . . . . . 215 LYS C . 19740 1 854 . 1 1 214 214 LYS CA C 13 52.903 0.000 . . . . . . 215 LYS CA . 19740 1 855 . 1 1 214 214 LYS CB C 13 32.161 0.000 . . . . . . 215 LYS CB . 19740 1 856 . 1 1 214 214 LYS N N 15 119.018 0.041 . . . . . . 215 LYS N . 19740 1 857 . 1 1 215 215 PRO C C 13 178.737 0.000 . . . . . . 216 PRO C . 19740 1 858 . 1 1 215 215 PRO CA C 13 63.407 0.000 . . . . . . 216 PRO CA . 19740 1 859 . 1 1 215 215 PRO CB C 13 31.908 0.000 . . . . . . 216 PRO CB . 19740 1 860 . 1 1 216 216 GLY H H 1 8.491 0.002 . . . . . . 217 GLY HN . 19740 1 861 . 1 1 216 216 GLY C C 13 173.548 0.012 . . . . . . 217 GLY C . 19740 1 862 . 1 1 216 216 GLY CA C 13 43.266 0.060 . . . . . . 217 GLY CA . 19740 1 863 . 1 1 216 216 GLY N N 15 110.951 0.052 . . . . . . 217 GLY N . 19740 1 864 . 1 1 217 217 THR H H 1 8.545 0.001 . . . . . . 218 THR HN . 19740 1 865 . 1 1 217 217 THR C C 13 173.774 0.000 . . . . . . 218 THR C . 19740 1 866 . 1 1 217 217 THR CA C 13 60.576 0.016 . . . . . . 218 THR CA . 19740 1 867 . 1 1 217 217 THR CB C 13 68.142 0.016 . . . . . . 218 THR CB . 19740 1 868 . 1 1 217 217 THR N N 15 109.879 0.032 . . . . . . 218 THR N . 19740 1 869 . 1 1 218 218 ASP H H 1 8.100 0.002 . . . . . . 219 ASP HN . 19740 1 870 . 1 1 218 218 ASP C C 13 174.682 0.007 . . . . . . 219 ASP C . 19740 1 871 . 1 1 218 218 ASP CA C 13 52.288 0.018 . . . . . . 219 ASP CA . 19740 1 872 . 1 1 218 218 ASP CB C 13 42.227 0.004 . . . . . . 219 ASP CB . 19740 1 873 . 1 1 218 218 ASP N N 15 118.973 0.040 . . . . . . 219 ASP N . 19740 1 874 . 1 1 219 219 ALA H H 1 8.507 0.002 . . . . . . 220 ALA HN . 19740 1 875 . 1 1 219 219 ALA C C 13 179.015 0.011 . . . . . . 220 ALA C . 19740 1 876 . 1 1 219 219 ALA CA C 13 54.866 0.020 . . . . . . 220 ALA CA . 19740 1 877 . 1 1 219 219 ALA CB C 13 18.801 0.009 . . . . . . 220 ALA CB . 19740 1 878 . 1 1 219 219 ALA N N 15 117.880 0.035 . . . . . . 220 ALA N . 19740 1 879 . 1 1 220 220 ILE H H 1 7.506 0.002 . . . . . . 221 ILE HN . 19740 1 880 . 1 1 220 220 ILE C C 13 177.685 0.000 . . . . . . 221 ILE C . 19740 1 881 . 1 1 220 220 ILE CA C 13 64.363 0.000 . . . . . . 221 ILE CA . 19740 1 882 . 1 1 220 220 ILE CB C 13 35.109 0.000 . . . . . . 221 ILE CB . 19740 1 883 . 1 1 220 220 ILE N N 15 114.426 0.040 . . . . . . 221 ILE N . 19740 1 884 . 1 1 224 224 ALA H H 1 8.917 0.001 . . . . . . 225 ALA HN . 19740 1 885 . 1 1 224 224 ALA C C 13 176.464 0.000 . . . . . . 225 ALA C . 19740 1 886 . 1 1 224 224 ALA CA C 13 53.708 0.000 . . . . . . 225 ALA CA . 19740 1 887 . 1 1 224 224 ALA CB C 13 18.043 0.011 . . . . . . 225 ALA CB . 19740 1 888 . 1 1 224 224 ALA N N 15 116.118 0.014 . . . . . . 225 ALA N . 19740 1 889 . 1 1 225 225 ASN H H 1 7.162 0.002 . . . . . . 226 ASN HN . 19740 1 890 . 1 1 225 225 ASN C C 13 174.721 0.004 . . . . . . 226 ASN C . 19740 1 891 . 1 1 225 225 ASN CA C 13 52.460 0.022 . . . . . . 226 ASN CA . 19740 1 892 . 1 1 225 225 ASN CB C 13 39.713 0.001 . . . . . . 226 ASN CB . 19740 1 893 . 1 1 225 225 ASN N N 15 112.570 0.041 . . . . . . 226 ASN N . 19740 1 894 . 1 1 226 226 GLY H H 1 7.618 0.003 . . . . . . 227 GLY HN . 19740 1 895 . 1 1 226 226 GLY C C 13 171.691 0.005 . . . . . . 227 GLY C . 19740 1 896 . 1 1 226 226 GLY CA C 13 44.842 0.003 . . . . . . 227 GLY CA . 19740 1 897 . 1 1 226 226 GLY N N 15 109.705 0.046 . . . . . . 227 GLY N . 19740 1 898 . 1 1 227 227 GLN H H 1 8.101 0.002 . . . . . . 228 GLN HN . 19740 1 899 . 1 1 227 227 GLN C C 13 175.121 0.006 . . . . . . 228 GLN C . 19740 1 900 . 1 1 227 227 GLN CA C 13 53.981 0.014 . . . . . . 228 GLN CA . 19740 1 901 . 1 1 227 227 GLN CB C 13 30.934 0.004 . . . . . . 228 GLN CB . 19740 1 902 . 1 1 227 227 GLN N N 15 117.956 0.035 . . . . . . 228 GLN N . 19740 1 903 . 1 1 228 228 VAL H H 1 8.906 0.002 . . . . . . 229 VAL HN . 19740 1 904 . 1 1 228 228 VAL C C 13 174.830 0.012 . . . . . . 229 VAL C . 19740 1 905 . 1 1 228 228 VAL CA C 13 59.320 0.016 . . . . . . 229 VAL CA . 19740 1 906 . 1 1 228 228 VAL CB C 13 33.506 0.004 . . . . . . 229 VAL CB . 19740 1 907 . 1 1 228 228 VAL N N 15 117.321 0.035 . . . . . . 229 VAL N . 19740 1 908 . 1 1 229 229 ASN H H 1 8.916 0.002 . . . . . . 230 ASN HN . 19740 1 909 . 1 1 229 229 ASN C C 13 175.704 0.004 . . . . . . 230 ASN C . 19740 1 910 . 1 1 229 229 ASN CA C 13 53.611 0.017 . . . . . . 230 ASN CA . 19740 1 911 . 1 1 229 229 ASN CB C 13 37.378 0.015 . . . . . . 230 ASN CB . 19740 1 912 . 1 1 229 229 ASN N N 15 121.367 0.033 . . . . . . 230 ASN N . 19740 1 913 . 1 1 230 230 GLY H H 1 8.596 0.002 . . . . . . 231 GLY HN . 19740 1 914 . 1 1 230 230 GLY C C 13 173.106 0.001 . . . . . . 231 GLY C . 19740 1 915 . 1 1 230 230 GLY CA C 13 45.334 0.047 . . . . . . 231 GLY CA . 19740 1 916 . 1 1 230 230 GLY N N 15 103.213 0.040 . . . . . . 231 GLY N . 19740 1 917 . 1 1 231 231 ARG H H 1 7.981 0.023 . . . . . . 232 ARG HN . 19740 1 918 . 1 1 231 231 ARG C C 13 172.828 0.000 . . . . . . 232 ARG C . 19740 1 919 . 1 1 231 231 ARG CA C 13 52.141 0.023 . . . . . . 232 ARG CA . 19740 1 920 . 1 1 231 231 ARG CB C 13 29.366 0.000 . . . . . . 232 ARG CB . 19740 1 921 . 1 1 231 231 ARG N N 15 118.943 0.046 . . . . . . 232 ARG N . 19740 1 922 . 1 1 233 233 ILE H H 1 8.248 0.002 . . . . . . 234 ILE HN . 19740 1 923 . 1 1 233 233 ILE CA C 13 61.587 0.012 . . . . . . 234 ILE CA . 19740 1 924 . 1 1 233 233 ILE CB C 13 38.662 0.008 . . . . . . 234 ILE CB . 19740 1 925 . 1 1 233 233 ILE N N 15 126.862 0.037 . . . . . . 234 ILE N . 19740 1 926 . 1 1 234 234 THR H H 1 9.059 0.002 . . . . . . 235 THR HN . 19740 1 927 . 1 1 234 234 THR C C 13 176.066 0.026 . . . . . . 235 THR C . 19740 1 928 . 1 1 234 234 THR CA C 13 60.598 0.015 . . . . . . 235 THR CA . 19740 1 929 . 1 1 234 234 THR CB C 13 70.586 0.034 . . . . . . 235 THR CB . 19740 1 930 . 1 1 234 234 THR N N 15 119.722 0.040 . . . . . . 235 THR N . 19740 1 931 . 1 1 235 235 SER H H 1 9.058 0.002 . . . . . . 236 SER HN . 19740 1 932 . 1 1 235 235 SER CA C 13 62.590 0.000 . . . . . . 236 SER CA . 19740 1 933 . 1 1 235 235 SER CB C 13 61.079 0.000 . . . . . . 236 SER CB . 19740 1 934 . 1 1 235 235 SER N N 15 118.176 0.043 . . . . . . 236 SER N . 19740 1 935 . 1 1 237 237 GLU C C 13 178.962 0.015 . . . . . . 238 GLU C . 19740 1 936 . 1 1 237 237 GLU CA C 13 58.553 0.007 . . . . . . 238 GLU CA . 19740 1 937 . 1 1 237 237 GLU CB C 13 29.172 0.000 . . . . . . 238 GLU CB . 19740 1 938 . 1 1 238 238 ALA H H 1 8.606 0.002 . . . . . . 239 ALA HN . 19740 1 939 . 1 1 238 238 ALA C C 13 179.732 0.009 . . . . . . 239 ALA C . 19740 1 940 . 1 1 238 238 ALA CA C 13 54.650 0.036 . . . . . . 239 ALA CA . 19740 1 941 . 1 1 238 238 ALA CB C 13 17.072 0.015 . . . . . . 239 ALA CB . 19740 1 942 . 1 1 238 238 ALA N N 15 119.276 0.043 . . . . . . 239 ALA N . 19740 1 943 . 1 1 239 239 LYS H H 1 8.116 0.002 . . . . . . 240 LYS HN . 19740 1 944 . 1 1 239 239 LYS C C 13 176.821 0.036 . . . . . . 240 LYS C . 19740 1 945 . 1 1 239 239 LYS CA C 13 59.634 0.002 . . . . . . 240 LYS CA . 19740 1 946 . 1 1 239 239 LYS CB C 13 30.270 0.051 . . . . . . 240 LYS CB . 19740 1 947 . 1 1 239 239 LYS N N 15 121.644 0.037 . . . . . . 240 LYS N . 19740 1 948 . 1 1 240 240 ARG H H 1 7.484 0.003 . . . . . . 241 ARG HN . 19740 1 949 . 1 1 240 240 ARG C C 13 179.766 0.000 . . . . . . 241 ARG C . 19740 1 950 . 1 1 240 240 ARG CA C 13 58.330 0.000 . . . . . . 241 ARG CA . 19740 1 951 . 1 1 240 240 ARG CB C 13 40.579 0.000 . . . . . . 241 ARG CB . 19740 1 952 . 1 1 240 240 ARG N N 15 118.929 0.036 . . . . . . 241 ARG N . 19740 1 953 . 1 1 241 241 MET H H 1 8.158 0.002 . . . . . . 242 MET HN . 19740 1 954 . 1 1 241 241 MET C C 13 178.731 0.000 . . . . . . 242 MET C . 19740 1 955 . 1 1 241 241 MET CA C 13 56.992 0.000 . . . . . . 242 MET CA . 19740 1 956 . 1 1 241 241 MET CB C 13 33.263 0.000 . . . . . . 242 MET CB . 19740 1 957 . 1 1 241 241 MET N N 15 119.789 0.035 . . . . . . 242 MET N . 19740 1 958 . 1 1 242 242 CYS C C 13 176.675 0.000 . . . . . . 243 CYS C . 19740 1 959 . 1 1 242 242 CYS CA C 13 64.779 0.010 . . . . . . 243 CYS CA . 19740 1 960 . 1 1 242 242 CYS CB C 13 26.632 0.000 . . . . . . 243 CYS CB . 19740 1 961 . 1 1 243 243 GLY H H 1 8.792 0.002 . . . . . . 244 GLY HN . 19740 1 962 . 1 1 243 243 GLY C C 13 171.851 0.018 . . . . . . 244 GLY C . 19740 1 963 . 1 1 243 243 GLY CA C 13 47.448 0.014 . . . . . . 244 GLY CA . 19740 1 964 . 1 1 243 243 GLY N N 15 105.522 0.048 . . . . . . 244 GLY N . 19740 1 965 . 1 1 244 244 LEU H H 1 6.194 0.002 . . . . . . 245 LEU HN . 19740 1 966 . 1 1 244 244 LEU C C 13 178.485 0.000 . . . . . . 245 LEU C . 19740 1 967 . 1 1 244 244 LEU CA C 13 55.832 0.000 . . . . . . 245 LEU CA . 19740 1 968 . 1 1 244 244 LEU CB C 13 39.542 0.000 . . . . . . 245 LEU CB . 19740 1 969 . 1 1 244 244 LEU N N 15 121.230 0.032 . . . . . . 245 LEU N . 19740 1 970 . 1 1 249 249 GLY C C 13 176.052 0.000 . . . . . . 250 GLY C . 19740 1 971 . 1 1 249 249 GLY CA C 13 44.795 0.008 . . . . . . 250 GLY CA . 19740 1 972 . 1 1 250 250 LEU H H 1 7.677 0.002 . . . . . . 251 LEU HN . 19740 1 973 . 1 1 250 250 LEU C C 13 176.802 0.000 . . . . . . 251 LEU C . 19740 1 974 . 1 1 250 250 LEU CA C 13 56.205 0.000 . . . . . . 251 LEU CA . 19740 1 975 . 1 1 250 250 LEU CB C 13 41.757 0.000 . . . . . . 251 LEU CB . 19740 1 976 . 1 1 250 250 LEU N N 15 118.938 0.035 . . . . . . 251 LEU N . 19740 1 977 . 1 1 253 253 VAL C C 13 177.067 0.009 . . . . . . 254 VAL C . 19740 1 978 . 1 1 253 253 VAL CA C 13 67.620 0.036 . . . . . . 254 VAL CA . 19740 1 979 . 1 1 253 253 VAL CB C 13 31.116 0.000 . . . . . . 254 VAL CB . 19740 1 980 . 1 1 254 254 VAL H H 1 7.055 0.003 . . . . . . 255 VAL HN . 19740 1 981 . 1 1 254 254 VAL C C 13 178.390 0.008 . . . . . . 255 VAL C . 19740 1 982 . 1 1 254 254 VAL CA C 13 64.269 0.019 . . . . . . 255 VAL CA . 19740 1 983 . 1 1 254 254 VAL CB C 13 32.517 0.006 . . . . . . 255 VAL CB . 19740 1 984 . 1 1 254 254 VAL N N 15 118.432 0.034 . . . . . . 255 VAL N . 19740 1 985 . 1 1 255 255 ASN H H 1 7.928 0.003 . . . . . . 256 ASN HN . 19740 1 986 . 1 1 255 255 ASN C C 13 176.546 0.008 . . . . . . 256 ASN C . 19740 1 987 . 1 1 255 255 ASN CA C 13 56.778 0.005 . . . . . . 256 ASN CA . 19740 1 988 . 1 1 255 255 ASN CB C 13 40.467 0.014 . . . . . . 256 ASN CB . 19740 1 989 . 1 1 255 255 ASN N N 15 115.216 0.045 . . . . . . 256 ASN N . 19740 1 990 . 1 1 256 256 PHE H H 1 9.114 0.002 . . . . . . 257 PHE HN . 19740 1 991 . 1 1 256 256 PHE C C 13 178.487 0.035 . . . . . . 257 PHE C . 19740 1 992 . 1 1 256 256 PHE CA C 13 63.840 0.044 . . . . . . 257 PHE CA . 19740 1 993 . 1 1 256 256 PHE CB C 13 39.891 0.001 . . . . . . 257 PHE CB . 19740 1 994 . 1 1 256 256 PHE N N 15 121.456 0.038 . . . . . . 257 PHE N . 19740 1 995 . 1 1 257 257 LEU H H 1 9.047 0.002 . . . . . . 258 LEU HN . 19740 1 996 . 1 1 257 257 LEU C C 13 179.049 0.005 . . . . . . 258 LEU C . 19740 1 997 . 1 1 257 257 LEU CA C 13 58.000 0.013 . . . . . . 258 LEU CA . 19740 1 998 . 1 1 257 257 LEU CB C 13 41.425 0.028 . . . . . . 258 LEU CB . 19740 1 999 . 1 1 257 257 LEU N N 15 118.570 0.039 . . . . . . 258 LEU N . 19740 1 1000 . 1 1 258 258 SER H H 1 7.330 0.002 . . . . . . 259 SER HN . 19740 1 1001 . 1 1 258 258 SER CA C 13 63.017 0.000 . . . . . . 259 SER CA . 19740 1 1002 . 1 1 258 258 SER CB C 13 62.010 0.000 . . . . . . 259 SER CB . 19740 1 1003 . 1 1 258 258 SER N N 15 115.070 0.039 . . . . . . 259 SER N . 19740 1 1004 . 1 1 259 259 PHE C C 13 177.774 0.006 . . . . . . 260 PHE C . 19740 1 1005 . 1 1 259 259 PHE CA C 13 57.042 0.000 . . . . . . 260 PHE CA . 19740 1 1006 . 1 1 259 259 PHE CB C 13 39.714 0.000 . . . . . . 260 PHE CB . 19740 1 1007 . 1 1 260 260 SER H H 1 7.030 0.002 . . . . . . 261 SER HN . 19740 1 1008 . 1 1 260 260 SER C C 13 173.968 0.004 . . . . . . 261 SER C . 19740 1 1009 . 1 1 260 260 SER CA C 13 64.624 0.021 . . . . . . 261 SER CA . 19740 1 1010 . 1 1 260 260 SER CB C 13 69.125 0.010 . . . . . . 261 SER CB . 19740 1 1011 . 1 1 260 260 SER N N 15 108.257 0.043 . . . . . . 261 SER N . 19740 1 1012 . 1 1 261 261 MET H H 1 6.485 0.002 . . . . . . 262 MET HN . 19740 1 1013 . 1 1 261 261 MET C C 13 175.136 0.000 . . . . . . 262 MET C . 19740 1 1014 . 1 1 261 261 MET CA C 13 56.960 0.000 . . . . . . 262 MET CA . 19740 1 1015 . 1 1 261 261 MET CB C 13 32.552 0.000 . . . . . . 262 MET CB . 19740 1 1016 . 1 1 261 261 MET N N 15 118.377 0.041 . . . . . . 262 MET N . 19740 1 1017 . 1 1 265 265 ALA C C 13 178.458 0.008 . . . . . . 266 ALA C . 19740 1 1018 . 1 1 265 265 ALA CA C 13 53.504 0.013 . . . . . . 266 ALA CA . 19740 1 1019 . 1 1 265 265 ALA CB C 13 18.269 0.000 . . . . . . 266 ALA CB . 19740 1 1020 . 1 1 266 266 LYS H H 1 7.282 0.002 . . . . . . 267 LYS HN . 19740 1 1021 . 1 1 266 266 LYS C C 13 176.571 0.013 . . . . . . 267 LYS C . 19740 1 1022 . 1 1 266 266 LYS CA C 13 56.502 0.035 . . . . . . 267 LYS CA . 19740 1 1023 . 1 1 266 266 LYS CB C 13 33.112 0.022 . . . . . . 267 LYS CB . 19740 1 1024 . 1 1 266 266 LYS N N 15 115.960 0.045 . . . . . . 267 LYS N . 19740 1 1025 . 1 1 267 267 SER H H 1 7.184 0.003 . . . . . . 268 SER HN . 19740 1 1026 . 1 1 267 267 SER CA C 13 53.739 0.000 . . . . . . 268 SER CA . 19740 1 1027 . 1 1 267 267 SER CB C 13 60.811 0.000 . . . . . . 268 SER CB . 19740 1 1028 . 1 1 267 267 SER N N 15 114.461 0.042 . . . . . . 268 SER N . 19740 1 1029 . 1 1 268 268 PRO C C 13 178.918 0.014 . . . . . . 269 PRO C . 19740 1 1030 . 1 1 268 268 PRO CA C 13 63.842 0.006 . . . . . . 269 PRO CA . 19740 1 1031 . 1 1 268 268 PRO CB C 13 33.911 0.000 . . . . . . 269 PRO CB . 19740 1 1032 . 1 1 269 269 GLU H H 1 8.759 0.001 . . . . . . 270 GLU HN . 19740 1 1033 . 1 1 269 269 GLU C C 13 177.794 0.009 . . . . . . 270 GLU C . 19740 1 1034 . 1 1 269 269 GLU CA C 13 59.972 0.039 . . . . . . 270 GLU CA . 19740 1 1035 . 1 1 269 269 GLU CB C 13 28.734 0.051 . . . . . . 270 GLU CB . 19740 1 1036 . 1 1 269 269 GLU N N 15 127.659 0.042 . . . . . . 270 GLU N . 19740 1 1037 . 1 1 270 270 HIS H H 1 7.668 0.002 . . . . . . 271 HIS HN . 19740 1 1038 . 1 1 270 270 HIS CA C 13 57.471 0.009 . . . . . . 271 HIS CA . 19740 1 1039 . 1 1 270 270 HIS CB C 13 26.801 0.029 . . . . . . 271 HIS CB . 19740 1 1040 . 1 1 270 270 HIS N N 15 113.269 0.032 . . . . . . 271 HIS N . 19740 1 1041 . 1 1 271 271 ARG H H 1 7.432 0.002 . . . . . . 272 ARG HN . 19740 1 1042 . 1 1 271 271 ARG C C 13 179.402 0.000 . . . . . . 272 ARG C . 19740 1 1043 . 1 1 271 271 ARG CA C 13 60.452 0.000 . . . . . . 272 ARG CA . 19740 1 1044 . 1 1 271 271 ARG CB C 13 29.137 0.000 . . . . . . 272 ARG CB . 19740 1 1045 . 1 1 271 271 ARG N N 15 117.664 0.042 . . . . . . 272 ARG N . 19740 1 1046 . 1 1 273 273 GLU C C 13 178.385 0.000 . . . . . . 274 GLU C . 19740 1 1047 . 1 1 273 273 GLU CA C 13 58.039 0.000 . . . . . . 274 GLU CA . 19740 1 1048 . 1 1 273 273 GLU CB C 13 31.602 0.000 . . . . . . 274 GLU CB . 19740 1 1049 . 1 1 274 274 LEU H H 1 7.910 0.002 . . . . . . 275 LEU HN . 19740 1 1050 . 1 1 274 274 LEU C C 13 178.763 0.068 . . . . . . 275 LEU C . 19740 1 1051 . 1 1 274 274 LEU CA C 13 54.493 0.036 . . . . . . 275 LEU CA . 19740 1 1052 . 1 1 274 274 LEU CB C 13 43.012 0.011 . . . . . . 275 LEU CB . 19740 1 1053 . 1 1 274 274 LEU N N 15 119.455 0.045 . . . . . . 275 LEU N . 19740 1 1054 . 1 1 275 275 ILE H H 1 7.639 0.004 . . . . . . 276 ILE HN . 19740 1 1055 . 1 1 275 275 ILE C C 13 180.851 0.000 . . . . . . 276 ILE C . 19740 1 1056 . 1 1 275 275 ILE CA C 13 63.708 0.032 . . . . . . 276 ILE CA . 19740 1 1057 . 1 1 275 275 ILE CB C 13 36.077 0.004 . . . . . . 276 ILE CB . 19740 1 1058 . 1 1 275 275 ILE N N 15 121.410 0.041 . . . . . . 276 ILE N . 19740 1 1059 . 1 1 276 276 GLU H H 1 7.660 0.002 . . . . . . 277 GLU HN . 19740 1 1060 . 1 1 276 276 GLU C C 13 177.686 0.000 . . . . . . 277 GLU C . 19740 1 1061 . 1 1 276 276 GLU CA C 13 66.352 0.019 . . . . . . 277 GLU CA . 19740 1 1062 . 1 1 276 276 GLU CB C 13 30.797 0.045 . . . . . . 277 GLU CB . 19740 1 1063 . 1 1 276 276 GLU N N 15 118.302 0.036 . . . . . . 277 GLU N . 19740 1 1064 . 1 1 277 277 ARG H H 1 8.921 0.002 . . . . . . 278 ARG HN . 19740 1 1065 . 1 1 277 277 ARG C C 13 178.793 0.000 . . . . . . 278 ARG C . 19740 1 1066 . 1 1 277 277 ARG CA C 13 57.142 0.000 . . . . . . 278 ARG CA . 19740 1 1067 . 1 1 277 277 ARG CB C 13 28.960 0.000 . . . . . . 278 ARG CB . 19740 1 1068 . 1 1 277 277 ARG N N 15 116.156 0.038 . . . . . . 278 ARG N . 19740 1 1069 . 1 1 278 278 PRO C C 13 179.693 0.003 . . . . . . 279 PRO C . 19740 1 1070 . 1 1 278 278 PRO CA C 13 64.179 0.011 . . . . . . 279 PRO CA . 19740 1 1071 . 1 1 278 278 PRO CB C 13 30.476 0.000 . . . . . . 279 PRO CB . 19740 1 1072 . 1 1 279 279 GLU H H 1 10.043 0.002 . . . . . . 280 GLU HN . 19740 1 1073 . 1 1 279 279 GLU C C 13 177.586 0.007 . . . . . . 280 GLU C . 19740 1 1074 . 1 1 279 279 GLU CA C 13 57.800 0.021 . . . . . . 280 GLU CA . 19740 1 1075 . 1 1 279 279 GLU CB C 13 26.412 0.021 . . . . . . 280 GLU CB . 19740 1 1076 . 1 1 279 279 GLU N N 15 121.864 0.041 . . . . . . 280 GLU N . 19740 1 1077 . 1 1 280 280 ARG H H 1 8.573 0.002 . . . . . . 281 ARG HN . 19740 1 1078 . 1 1 280 280 ARG C C 13 176.308 0.007 . . . . . . 281 ARG C . 19740 1 1079 . 1 1 280 280 ARG CA C 13 56.025 0.015 . . . . . . 281 ARG CA . 19740 1 1080 . 1 1 280 280 ARG CB C 13 29.520 0.005 . . . . . . 281 ARG CB . 19740 1 1081 . 1 1 280 280 ARG N N 15 120.765 0.039 . . . . . . 281 ARG N . 19740 1 1082 . 1 1 281 281 ILE H H 1 7.858 0.002 . . . . . . 282 ILE HN . 19740 1 1083 . 1 1 281 281 ILE C C 13 174.709 0.000 . . . . . . 282 ILE C . 19740 1 1084 . 1 1 281 281 ILE CA C 13 67.671 0.000 . . . . . . 282 ILE CA . 19740 1 1085 . 1 1 281 281 ILE CB C 13 34.927 0.000 . . . . . . 282 ILE CB . 19740 1 1086 . 1 1 281 281 ILE N N 15 119.824 0.037 . . . . . . 282 ILE N . 19740 1 1087 . 1 1 282 282 PRO C C 13 178.997 0.011 . . . . . . 283 PRO C . 19740 1 1088 . 1 1 282 282 PRO CA C 13 66.833 0.017 . . . . . . 283 PRO CA . 19740 1 1089 . 1 1 282 282 PRO CB C 13 29.759 0.000 . . . . . . 283 PRO CB . 19740 1 1090 . 1 1 283 283 ALA H H 1 7.808 0.001 . . . . . . 284 ALA HN . 19740 1 1091 . 1 1 283 283 ALA C C 13 180.983 0.015 . . . . . . 284 ALA C . 19740 1 1092 . 1 1 283 283 ALA CA C 13 54.514 0.049 . . . . . . 284 ALA CA . 19740 1 1093 . 1 1 283 283 ALA CB C 13 17.390 0.021 . . . . . . 284 ALA CB . 19740 1 1094 . 1 1 283 283 ALA N N 15 122.324 0.034 . . . . . . 284 ALA N . 19740 1 1095 . 1 1 284 284 ALA H H 1 8.579 0.002 . . . . . . 285 ALA HN . 19740 1 1096 . 1 1 284 284 ALA C C 13 178.979 0.000 . . . . . . 285 ALA C . 19740 1 1097 . 1 1 284 284 ALA CB C 13 16.980 0.000 . . . . . . 285 ALA CB . 19740 1 1098 . 1 1 284 284 ALA N N 15 122.657 0.042 . . . . . . 285 ALA N . 19740 1 1099 . 1 1 287 287 GLU C C 13 174.347 0.000 . . . . . . 288 GLU C . 19740 1 1100 . 1 1 287 287 GLU CA C 13 63.816 0.000 . . . . . . 288 GLU CA . 19740 1 1101 . 1 1 287 287 GLU CB C 13 31.137 0.000 . . . . . . 288 GLU CB . 19740 1 1102 . 1 1 288 288 LEU H H 1 5.739 0.001 . . . . . . 289 LEU HN . 19740 1 1103 . 1 1 288 288 LEU C C 13 172.387 0.004 . . . . . . 289 LEU C . 19740 1 1104 . 1 1 288 288 LEU CA C 13 53.498 0.014 . . . . . . 289 LEU CA . 19740 1 1105 . 1 1 288 288 LEU CB C 13 39.469 0.009 . . . . . . 289 LEU CB . 19740 1 1106 . 1 1 288 288 LEU N N 15 116.903 0.014 . . . . . . 289 LEU N . 19740 1 1107 . 1 1 289 289 LEU H H 1 5.929 0.002 . . . . . . 290 LEU HN . 19740 1 1108 . 1 1 289 289 LEU C C 13 174.501 0.000 . . . . . . 290 LEU C . 19740 1 1109 . 1 1 289 289 LEU CA C 13 57.044 0.007 . . . . . . 290 LEU CA . 19740 1 1110 . 1 1 289 289 LEU CB C 13 40.699 0.064 . . . . . . 290 LEU CB . 19740 1 1111 . 1 1 289 289 LEU N N 15 121.413 0.039 . . . . . . 290 LEU N . 19740 1 1112 . 1 1 290 290 ARG H H 1 7.476 0.002 . . . . . . 291 ARG HN . 19740 1 1113 . 1 1 290 290 ARG C C 13 177.361 0.003 . . . . . . 291 ARG C . 19740 1 1114 . 1 1 290 290 ARG CA C 13 58.442 0.067 . . . . . . 291 ARG CA . 19740 1 1115 . 1 1 290 290 ARG CB C 13 28.352 0.011 . . . . . . 291 ARG CB . 19740 1 1116 . 1 1 290 290 ARG N N 15 120.465 0.042 . . . . . . 291 ARG N . 19740 1 1117 . 1 1 291 291 ARG H H 1 8.210 0.002 . . . . . . 292 ARG HN . 19740 1 1118 . 1 1 291 291 ARG C C 13 175.042 0.011 . . . . . . 292 ARG C . 19740 1 1119 . 1 1 291 291 ARG CA C 13 56.414 0.065 . . . . . . 292 ARG CA . 19740 1 1120 . 1 1 291 291 ARG CB C 13 28.411 0.000 . . . . . . 292 ARG CB . 19740 1 1121 . 1 1 291 291 ARG N N 15 119.201 0.041 . . . . . . 292 ARG N . 19740 1 1122 . 1 1 292 292 PHE H H 1 8.383 0.002 . . . . . . 293 PHE HN . 19740 1 1123 . 1 1 292 292 PHE C C 13 171.364 0.003 . . . . . . 293 PHE C . 19740 1 1124 . 1 1 292 292 PHE CB C 13 35.929 0.000 . . . . . . 293 PHE CB . 19740 1 1125 . 1 1 292 292 PHE N N 15 114.991 0.037 . . . . . . 293 PHE N . 19740 1 1126 . 1 1 293 293 SER H H 1 5.568 0.002 . . . . . . 294 SER HN . 19740 1 1127 . 1 1 293 293 SER C C 13 175.142 0.000 . . . . . . 294 SER C . 19740 1 1128 . 1 1 293 293 SER CA C 13 60.070 0.000 . . . . . . 294 SER CA . 19740 1 1129 . 1 1 293 293 SER CB C 13 63.076 0.000 . . . . . . 294 SER CB . 19740 1 1130 . 1 1 293 293 SER N N 15 109.625 0.017 . . . . . . 294 SER N . 19740 1 1131 . 1 1 295 295 VAL C C 13 172.388 0.044 . . . . . . 296 VAL C . 19740 1 1132 . 1 1 295 295 VAL CA C 13 61.191 0.013 . . . . . . 296 VAL CA . 19740 1 1133 . 1 1 295 295 VAL CB C 13 30.877 0.000 . . . . . . 296 VAL CB . 19740 1 1134 . 1 1 296 296 ALA H H 1 8.708 0.002 . . . . . . 297 ALA HN . 19740 1 1135 . 1 1 296 296 ALA C C 13 172.460 0.005 . . . . . . 297 ALA C . 19740 1 1136 . 1 1 296 296 ALA CA C 13 51.710 0.017 . . . . . . 297 ALA CA . 19740 1 1137 . 1 1 296 296 ALA CB C 13 21.458 0.002 . . . . . . 297 ALA CB . 19740 1 1138 . 1 1 296 296 ALA N N 15 127.298 0.038 . . . . . . 297 ALA N . 19740 1 1139 . 1 1 297 297 ASP H H 1 7.469 0.002 . . . . . . 298 ASP HN . 19740 1 1140 . 1 1 297 297 ASP C C 13 173.083 0.014 . . . . . . 298 ASP C . 19740 1 1141 . 1 1 297 297 ASP CA C 13 49.976 0.031 . . . . . . 298 ASP CA . 19740 1 1142 . 1 1 297 297 ASP CB C 13 37.153 0.012 . . . . . . 298 ASP CB . 19740 1 1143 . 1 1 297 297 ASP N N 15 119.657 0.036 . . . . . . 298 ASP N . 19740 1 1144 . 1 1 298 298 GLY H H 1 7.540 0.002 . . . . . . 299 GLY HN . 19740 1 1145 . 1 1 298 298 GLY C C 13 172.623 0.011 . . . . . . 299 GLY C . 19740 1 1146 . 1 1 298 298 GLY CA C 13 44.939 0.006 . . . . . . 299 GLY CA . 19740 1 1147 . 1 1 298 298 GLY N N 15 102.302 0.039 . . . . . . 299 GLY N . 19740 1 1148 . 1 1 299 299 ARG H H 1 8.417 0.002 . . . . . . 300 ARG HN . 19740 1 1149 . 1 1 299 299 ARG C C 13 173.905 0.017 . . . . . . 300 ARG C . 19740 1 1150 . 1 1 299 299 ARG CA C 13 51.962 0.009 . . . . . . 300 ARG CA . 19740 1 1151 . 1 1 299 299 ARG CB C 13 36.142 0.018 . . . . . . 300 ARG CB . 19740 1 1152 . 1 1 299 299 ARG N N 15 117.315 0.035 . . . . . . 300 ARG N . 19740 1 1153 . 1 1 300 300 ILE H H 1 9.425 0.003 . . . . . . 301 ILE HN . 19740 1 1154 . 1 1 300 300 ILE C C 13 172.748 0.007 . . . . . . 301 ILE C . 19740 1 1155 . 1 1 300 300 ILE CA C 13 58.564 0.008 . . . . . . 301 ILE CA . 19740 1 1156 . 1 1 300 300 ILE CB C 13 41.275 0.012 . . . . . . 301 ILE CB . 19740 1 1157 . 1 1 300 300 ILE N N 15 121.238 0.036 . . . . . . 301 ILE N . 19740 1 1158 . 1 1 301 301 LEU H H 1 8.730 0.002 . . . . . . 302 LEU HN . 19740 1 1159 . 1 1 301 301 LEU C C 13 181.268 0.010 . . . . . . 302 LEU C . 19740 1 1160 . 1 1 301 301 LEU CA C 13 51.624 0.043 . . . . . . 302 LEU CA . 19740 1 1161 . 1 1 301 301 LEU CB C 13 39.248 0.059 . . . . . . 302 LEU CB . 19740 1 1162 . 1 1 301 301 LEU N N 15 131.026 0.040 . . . . . . 302 LEU N . 19740 1 1163 . 1 1 302 302 THR H H 1 8.603 0.002 . . . . . . 303 THR HN . 19740 1 1164 . 1 1 302 302 THR C C 13 174.023 0.004 . . . . . . 303 THR C . 19740 1 1165 . 1 1 302 302 THR CA C 13 61.838 0.011 . . . . . . 303 THR CA . 19740 1 1166 . 1 1 302 302 THR CB C 13 69.002 0.033 . . . . . . 303 THR CB . 19740 1 1167 . 1 1 302 302 THR N N 15 116.235 0.039 . . . . . . 303 THR N . 19740 1 1168 . 1 1 303 303 SER H H 1 7.565 0.003 . . . . . . 304 SER HN . 19740 1 1169 . 1 1 303 303 SER C C 13 171.389 0.007 . . . . . . 304 SER C . 19740 1 1170 . 1 1 303 303 SER CA C 13 55.955 0.009 . . . . . . 304 SER CA . 19740 1 1171 . 1 1 303 303 SER CB C 13 64.885 0.027 . . . . . . 304 SER CB . 19740 1 1172 . 1 1 303 303 SER N N 15 112.651 0.038 . . . . . . 304 SER N . 19740 1 1173 . 1 1 304 304 ASP H H 1 8.486 0.002 . . . . . . 305 ASP HN . 19740 1 1174 . 1 1 304 304 ASP C C 13 177.148 0.020 . . . . . . 305 ASP C . 19740 1 1175 . 1 1 304 304 ASP CA C 13 54.535 0.006 . . . . . . 305 ASP CA . 19740 1 1176 . 1 1 304 304 ASP CB C 13 38.727 0.020 . . . . . . 305 ASP CB . 19740 1 1177 . 1 1 304 304 ASP N N 15 120.948 0.036 . . . . . . 305 ASP N . 19740 1 1178 . 1 1 305 305 TYR C C 13 171.963 0.008 . . . . . . 306 TYR C . 19740 1 1179 . 1 1 305 305 TYR CA C 13 56.029 0.000 . . . . . . 306 TYR CA . 19740 1 1180 . 1 1 305 305 TYR CB C 13 40.749 0.000 . . . . . . 306 TYR CB . 19740 1 1181 . 1 1 306 306 GLU H H 1 8.004 0.342 . . . . . . 307 GLU HN . 19740 1 1182 . 1 1 306 306 GLU C C 13 172.676 0.407 . . . . . . 307 GLU C . 19740 1 1183 . 1 1 306 306 GLU CA C 13 54.415 0.002 . . . . . . 307 GLU CA . 19740 1 1184 . 1 1 306 306 GLU CB C 13 28.888 0.003 . . . . . . 307 GLU CB . 19740 1 1185 . 1 1 306 306 GLU N N 15 128.208 1.936 . . . . . . 307 GLU N . 19740 1 1186 . 1 1 307 307 PHE H H 1 8.459 0.002 . . . . . . 308 PHE HN . 19740 1 1187 . 1 1 307 307 PHE C C 13 173.545 0.040 . . . . . . 308 PHE C . 19740 1 1188 . 1 1 307 307 PHE CA C 13 54.054 0.030 . . . . . . 308 PHE CA . 19740 1 1189 . 1 1 307 307 PHE CB C 13 41.708 0.008 . . . . . . 308 PHE CB . 19740 1 1190 . 1 1 307 307 PHE N N 15 129.492 0.038 . . . . . . 308 PHE N . 19740 1 1191 . 1 1 308 308 HIS H H 1 9.058 0.001 . . . . . . 309 HIS HN . 19740 1 1192 . 1 1 308 308 HIS CA C 13 56.555 0.033 . . . . . . 309 HIS CA . 19740 1 1193 . 1 1 308 308 HIS CB C 13 25.623 0.042 . . . . . . 309 HIS CB . 19740 1 1194 . 1 1 308 308 HIS N N 15 123.396 0.035 . . . . . . 309 HIS N . 19740 1 1195 . 1 1 309 309 GLY H H 1 8.365 0.002 . . . . . . 310 GLY HN . 19740 1 1196 . 1 1 309 309 GLY C C 13 173.425 0.004 . . . . . . 310 GLY C . 19740 1 1197 . 1 1 309 309 GLY CA C 13 44.688 0.013 . . . . . . 310 GLY CA . 19740 1 1198 . 1 1 309 309 GLY N N 15 102.489 0.037 . . . . . . 310 GLY N . 19740 1 1199 . 1 1 310 310 VAL H H 1 7.454 0.002 . . . . . . 311 VAL HN . 19740 1 1200 . 1 1 310 310 VAL C C 13 174.626 0.005 . . . . . . 311 VAL C . 19740 1 1201 . 1 1 310 310 VAL CA C 13 60.825 0.013 . . . . . . 311 VAL CA . 19740 1 1202 . 1 1 310 310 VAL CB C 13 32.223 0.000 . . . . . . 311 VAL CB . 19740 1 1203 . 1 1 310 310 VAL N N 15 123.635 0.040 . . . . . . 311 VAL N . 19740 1 1204 . 1 1 311 311 GLN H H 1 8.394 0.002 . . . . . . 312 GLN HN . 19740 1 1205 . 1 1 311 311 GLN C C 13 173.508 0.021 . . . . . . 312 GLN C . 19740 1 1206 . 1 1 311 311 GLN CA C 13 55.550 0.028 . . . . . . 312 GLN CA . 19740 1 1207 . 1 1 311 311 GLN CB C 13 27.246 0.023 . . . . . . 312 GLN CB . 19740 1 1208 . 1 1 311 311 GLN N N 15 125.671 0.035 . . . . . . 312 GLN N . 19740 1 1209 . 1 1 312 312 LEU H H 1 8.595 0.001 . . . . . . 313 LEU HN . 19740 1 1210 . 1 1 312 312 LEU C C 13 177.344 0.012 . . . . . . 313 LEU C . 19740 1 1211 . 1 1 312 312 LEU CA C 13 53.177 0.043 . . . . . . 313 LEU CA . 19740 1 1212 . 1 1 312 312 LEU CB C 13 40.503 0.031 . . . . . . 313 LEU CB . 19740 1 1213 . 1 1 312 312 LEU N N 15 128.152 0.037 . . . . . . 313 LEU N . 19740 1 1214 . 1 1 313 313 LYS H H 1 8.542 0.003 . . . . . . 314 LYS HN . 19740 1 1215 . 1 1 313 313 LYS C C 13 175.461 0.003 . . . . . . 314 LYS C . 19740 1 1216 . 1 1 313 313 LYS CA C 13 53.058 0.002 . . . . . . 314 LYS CA . 19740 1 1217 . 1 1 313 313 LYS CB C 13 33.414 0.000 . . . . . . 314 LYS CB . 19740 1 1218 . 1 1 313 313 LYS N N 15 124.588 0.038 . . . . . . 314 LYS N . 19740 1 1219 . 1 1 314 314 LYS H H 1 8.719 0.002 . . . . . . 315 LYS HN . 19740 1 1220 . 1 1 314 314 LYS C C 13 177.471 0.005 . . . . . . 315 LYS C . 19740 1 1221 . 1 1 314 314 LYS CA C 13 58.303 0.019 . . . . . . 315 LYS CA . 19740 1 1222 . 1 1 314 314 LYS CB C 13 31.639 0.008 . . . . . . 315 LYS CB . 19740 1 1223 . 1 1 314 314 LYS N N 15 121.618 0.036 . . . . . . 315 LYS N . 19740 1 1224 . 1 1 315 315 GLY H H 1 8.565 0.002 . . . . . . 316 GLY HN . 19740 1 1225 . 1 1 315 315 GLY C C 13 174.178 0.021 . . . . . . 316 GLY C . 19740 1 1226 . 1 1 315 315 GLY CA C 13 44.626 0.017 . . . . . . 316 GLY CA . 19740 1 1227 . 1 1 315 315 GLY N N 15 117.102 0.041 . . . . . . 316 GLY N . 19740 1 1228 . 1 1 316 316 ASP H H 1 8.953 0.001 . . . . . . 317 ASP HN . 19740 1 1229 . 1 1 316 316 ASP C C 13 176.008 0.004 . . . . . . 317 ASP C . 19740 1 1230 . 1 1 316 316 ASP CA C 13 55.106 0.010 . . . . . . 317 ASP CA . 19740 1 1231 . 1 1 316 316 ASP CB C 13 41.060 0.080 . . . . . . 317 ASP CB . 19740 1 1232 . 1 1 316 316 ASP N N 15 122.597 0.031 . . . . . . 317 ASP N . 19740 1 1233 . 1 1 317 317 GLN H H 1 9.445 0.002 . . . . . . 318 GLN HN . 19740 1 1234 . 1 1 317 317 GLN C C 13 174.880 0.029 . . . . . . 318 GLN C . 19740 1 1235 . 1 1 317 317 GLN CA C 13 55.314 0.042 . . . . . . 318 GLN CA . 19740 1 1236 . 1 1 317 317 GLN CB C 13 32.599 0.059 . . . . . . 318 GLN CB . 19740 1 1237 . 1 1 317 317 GLN N N 15 118.781 0.036 . . . . . . 318 GLN N . 19740 1 1238 . 1 1 318 318 ILE H H 1 8.814 0.002 . . . . . . 319 ILE HN . 19740 1 1239 . 1 1 318 318 ILE C C 13 171.933 0.000 . . . . . . 319 ILE C . 19740 1 1240 . 1 1 318 318 ILE CA C 13 57.309 0.000 . . . . . . 319 ILE CA . 19740 1 1241 . 1 1 318 318 ILE CB C 13 41.729 0.000 . . . . . . 319 ILE CB . 19740 1 1242 . 1 1 321 321 PRO C C 13 175.477 0.004 . . . . . . 322 PRO C . 19740 1 1243 . 1 1 321 321 PRO CA C 13 63.097 0.000 . . . . . . 322 PRO CA . 19740 1 1244 . 1 1 321 321 PRO CB C 13 30.642 0.000 . . . . . . 322 PRO CB . 19740 1 1245 . 1 1 322 322 GLN H H 1 9.670 0.001 . . . . . . 323 GLN HN . 19740 1 1246 . 1 1 322 322 GLN C C 13 178.327 0.008 . . . . . . 323 GLN C . 19740 1 1247 . 1 1 322 322 GLN CA C 13 61.929 0.025 . . . . . . 323 GLN CA . 19740 1 1248 . 1 1 322 322 GLN CB C 13 23.423 0.003 . . . . . . 323 GLN CB . 19740 1 1249 . 1 1 322 322 GLN N N 15 134.731 0.041 . . . . . . 323 GLN N . 19740 1 1250 . 1 1 323 323 MET H H 1 7.686 0.002 . . . . . . 324 MET HN . 19740 1 1251 . 1 1 323 323 MET C C 13 176.750 0.007 . . . . . . 324 MET C . 19740 1 1252 . 1 1 323 323 MET CA C 13 55.935 0.000 . . . . . . 324 MET CA . 19740 1 1253 . 1 1 323 323 MET CB C 13 34.212 0.008 . . . . . . 324 MET CB . 19740 1 1254 . 1 1 323 323 MET N N 15 113.492 0.041 . . . . . . 324 MET N . 19740 1 1255 . 1 1 324 324 LEU H H 1 7.231 0.002 . . . . . . 325 LEU HN . 19740 1 1256 . 1 1 324 324 LEU C C 13 180.173 0.000 . . . . . . 325 LEU C . 19740 1 1257 . 1 1 324 324 LEU CA C 13 55.839 0.093 . . . . . . 325 LEU CA . 19740 1 1258 . 1 1 324 324 LEU CB C 13 40.264 0.000 . . . . . . 325 LEU CB . 19740 1 1259 . 1 1 324 324 LEU N N 15 113.700 0.037 . . . . . . 325 LEU N . 19740 1 1260 . 1 1 326 326 GLY C C 13 175.142 0.000 . . . . . . 327 GLY C . 19740 1 1261 . 1 1 326 326 GLY CA C 13 45.742 0.013 . . . . . . 327 GLY CA . 19740 1 1262 . 1 1 327 327 LEU H H 1 6.743 0.002 . . . . . . 328 LEU HN . 19740 1 1263 . 1 1 327 327 LEU C C 13 173.482 0.009 . . . . . . 328 LEU C . 19740 1 1264 . 1 1 327 327 LEU CA C 13 53.193 0.047 . . . . . . 328 LEU CA . 19740 1 1265 . 1 1 327 327 LEU CB C 13 39.899 0.027 . . . . . . 328 LEU CB . 19740 1 1266 . 1 1 327 327 LEU N N 15 119.426 0.027 . . . . . . 328 LEU N . 19740 1 1267 . 1 1 328 328 ASP H H 1 6.679 0.002 . . . . . . 329 ASP HN . 19740 1 1268 . 1 1 328 328 ASP C C 13 178.603 0.009 . . . . . . 329 ASP C . 19740 1 1269 . 1 1 328 328 ASP CA C 13 53.216 0.014 . . . . . . 329 ASP CA . 19740 1 1270 . 1 1 328 328 ASP CB C 13 42.206 0.006 . . . . . . 329 ASP CB . 19740 1 1271 . 1 1 328 328 ASP N N 15 118.536 0.047 . . . . . . 329 ASP N . 19740 1 1272 . 1 1 329 329 GLU H H 1 9.457 0.001 . . . . . . 330 GLU HN . 19740 1 1273 . 1 1 329 329 GLU C C 13 177.017 0.015 . . . . . . 330 GLU C . 19740 1 1274 . 1 1 329 329 GLU CA C 13 56.828 0.011 . . . . . . 330 GLU CA . 19740 1 1275 . 1 1 329 329 GLU CB C 13 27.657 0.017 . . . . . . 330 GLU CB . 19740 1 1276 . 1 1 329 329 GLU N N 15 131.722 0.038 . . . . . . 330 GLU N . 19740 1 1277 . 1 1 330 330 ARG H H 1 8.698 0.002 . . . . . . 331 ARG HN . 19740 1 1278 . 1 1 330 330 ARG C C 13 177.784 0.000 . . . . . . 331 ARG C . 19740 1 1279 . 1 1 330 330 ARG CA C 13 57.312 0.000 . . . . . . 331 ARG CA . 19740 1 1280 . 1 1 330 330 ARG CB C 13 29.010 0.000 . . . . . . 331 ARG CB . 19740 1 1281 . 1 1 330 330 ARG N N 15 118.660 0.040 . . . . . . 331 ARG N . 19740 1 1282 . 1 1 331 331 GLU C C 13 176.341 0.002 . . . . . . 332 GLU C . 19740 1 1283 . 1 1 331 331 GLU CA C 13 56.520 0.001 . . . . . . 332 GLU CA . 19740 1 1284 . 1 1 331 331 GLU CB C 13 30.875 0.000 . . . . . . 332 GLU CB . 19740 1 1285 . 1 1 332 332 ASN H H 1 7.819 0.002 . . . . . . 333 ASN HN . 19740 1 1286 . 1 1 332 332 ASN C C 13 171.521 0.006 . . . . . . 333 ASN C . 19740 1 1287 . 1 1 332 332 ASN CA C 13 51.818 0.047 . . . . . . 333 ASN CA . 19740 1 1288 . 1 1 332 332 ASN CB C 13 42.450 0.001 . . . . . . 333 ASN CB . 19740 1 1289 . 1 1 332 332 ASN N N 15 116.332 0.042 . . . . . . 333 ASN N . 19740 1 1290 . 1 1 333 333 ALA H H 1 8.525 0.002 . . . . . . 334 ALA HN . 19740 1 1291 . 1 1 333 333 ALA C C 13 178.264 0.010 . . . . . . 334 ALA C . 19740 1 1292 . 1 1 333 333 ALA CA C 13 51.950 0.009 . . . . . . 334 ALA CA . 19740 1 1293 . 1 1 333 333 ALA CB C 13 17.824 0.016 . . . . . . 334 ALA CB . 19740 1 1294 . 1 1 333 333 ALA N N 15 124.027 0.040 . . . . . . 334 ALA N . 19740 1 1295 . 1 1 334 334 ALA H H 1 9.212 0.001 . . . . . . 335 ALA HN . 19740 1 1296 . 1 1 334 334 ALA C C 13 176.551 0.000 . . . . . . 335 ALA C . 19740 1 1297 . 1 1 334 334 ALA CB C 13 16.258 0.000 . . . . . . 335 ALA CB . 19740 1 1298 . 1 1 334 334 ALA N N 15 122.700 0.038 . . . . . . 335 ALA N . 19740 1 1299 . 1 1 335 335 PRO C C 13 179.793 0.012 . . . . . . 336 PRO C . 19740 1 1300 . 1 1 335 335 PRO CA C 13 63.670 0.041 . . . . . . 336 PRO CA . 19740 1 1301 . 1 1 335 335 PRO CB C 13 32.401 0.000 . . . . . . 336 PRO CB . 19740 1 1302 . 1 1 336 336 MET H H 1 8.727 0.002 . . . . . . 337 MET HN . 19740 1 1303 . 1 1 336 336 MET CA C 13 53.743 0.013 . . . . . . 337 MET CA . 19740 1 1304 . 1 1 336 336 MET CB C 13 29.375 0.006 . . . . . . 337 MET CB . 19740 1 1305 . 1 1 336 336 MET N N 15 115.613 0.039 . . . . . . 337 MET N . 19740 1 1306 . 1 1 337 337 HIS H H 1 8.104 0.002 . . . . . . 338 HIS HN . 19740 1 1307 . 1 1 337 337 HIS CA C 13 54.966 0.012 . . . . . . 338 HIS CA . 19740 1 1308 . 1 1 337 337 HIS CB C 13 29.996 0.051 . . . . . . 338 HIS CB . 19740 1 1309 . 1 1 337 337 HIS N N 15 123.313 0.043 . . . . . . 338 HIS N . 19740 1 1310 . 1 1 338 338 VAL H H 1 8.129 0.002 . . . . . . 339 VAL HN . 19740 1 1311 . 1 1 338 338 VAL C C 13 174.825 0.004 . . . . . . 339 VAL C . 19740 1 1312 . 1 1 338 338 VAL CA C 13 61.354 0.013 . . . . . . 339 VAL CA . 19740 1 1313 . 1 1 338 338 VAL CB C 13 29.424 0.042 . . . . . . 339 VAL CB . 19740 1 1314 . 1 1 338 338 VAL N N 15 126.720 0.037 . . . . . . 339 VAL N . 19740 1 1315 . 1 1 339 339 ASP H H 1 10.179 0.002 . . . . . . 340 ASP HN . 19740 1 1316 . 1 1 339 339 ASP C C 13 176.622 0.016 . . . . . . 340 ASP C . 19740 1 1317 . 1 1 339 339 ASP CA C 13 51.329 0.033 . . . . . . 340 ASP CA . 19740 1 1318 . 1 1 339 339 ASP CB C 13 41.517 0.046 . . . . . . 340 ASP CB . 19740 1 1319 . 1 1 339 339 ASP N N 15 131.244 0.038 . . . . . . 340 ASP N . 19740 1 1320 . 1 1 340 340 PHE H H 1 9.591 0.001 . . . . . . 341 PHE HN . 19740 1 1321 . 1 1 340 340 PHE C C 13 177.135 0.005 . . . . . . 341 PHE C . 19740 1 1322 . 1 1 340 340 PHE CA C 13 55.471 0.011 . . . . . . 341 PHE CA . 19740 1 1323 . 1 1 340 340 PHE CB C 13 35.153 0.005 . . . . . . 341 PHE CB . 19740 1 1324 . 1 1 340 340 PHE N N 15 124.258 0.037 . . . . . . 341 PHE N . 19740 1 1325 . 1 1 341 341 SER H H 1 8.734 0.002 . . . . . . 342 SER HN . 19740 1 1326 . 1 1 341 341 SER C C 13 173.932 0.000 . . . . . . 342 SER C . 19740 1 1327 . 1 1 341 341 SER CA C 13 57.512 0.008 . . . . . . 342 SER CA . 19740 1 1328 . 1 1 341 341 SER CB C 13 62.707 0.002 . . . . . . 342 SER CB . 19740 1 1329 . 1 1 341 341 SER N N 15 116.007 0.036 . . . . . . 342 SER N . 19740 1 1330 . 1 1 342 342 ARG H H 1 7.239 0.002 . . . . . . 343 ARG HN . 19740 1 1331 . 1 1 342 342 ARG C C 13 177.080 0.000 . . . . . . 343 ARG C . 19740 1 1332 . 1 1 342 342 ARG CB C 13 30.436 0.000 . . . . . . 343 ARG CB . 19740 1 1333 . 1 1 342 342 ARG N N 15 124.119 0.040 . . . . . . 343 ARG N . 19740 1 1334 . 1 1 343 343 GLN C C 13 176.227 0.000 . . . . . . 344 GLN C . 19740 1 1335 . 1 1 343 343 GLN CA C 13 57.370 0.000 . . . . . . 344 GLN CA . 19740 1 1336 . 1 1 343 343 GLN CB C 13 28.412 0.000 . . . . . . 344 GLN CB . 19740 1 1337 . 1 1 344 344 LYS H H 1 8.377 0.010 . . . . . . 345 LYS HN . 19740 1 1338 . 1 1 344 344 LYS C C 13 174.627 0.009 . . . . . . 345 LYS C . 19740 1 1339 . 1 1 344 344 LYS CA C 13 54.937 0.007 . . . . . . 345 LYS CA . 19740 1 1340 . 1 1 344 344 LYS CB C 13 31.959 0.060 . . . . . . 345 LYS CB . 19740 1 1341 . 1 1 344 344 LYS N N 15 120.552 0.047 . . . . . . 345 LYS N . 19740 1 1342 . 1 1 345 345 VAL H H 1 8.668 0.014 . . . . . . 346 VAL HN . 19740 1 1343 . 1 1 345 345 VAL C C 13 175.164 0.006 . . . . . . 346 VAL C . 19740 1 1344 . 1 1 345 345 VAL CA C 13 62.407 0.020 . . . . . . 346 VAL CA . 19740 1 1345 . 1 1 345 345 VAL CB C 13 30.867 0.014 . . . . . . 346 VAL CB . 19740 1 1346 . 1 1 345 345 VAL N N 15 126.763 0.109 . . . . . . 346 VAL N . 19740 1 1347 . 1 1 346 346 SER H H 1 8.079 0.002 . . . . . . 347 SER HN . 19740 1 1348 . 1 1 346 346 SER C C 13 174.154 0.000 . . . . . . 347 SER C . 19740 1 1349 . 1 1 346 346 SER CA C 13 56.118 0.015 . . . . . . 347 SER CA . 19740 1 1350 . 1 1 346 346 SER CB C 13 62.855 0.016 . . . . . . 347 SER CB . 19740 1 1351 . 1 1 346 346 SER N N 15 123.309 0.041 . . . . . . 347 SER N . 19740 1 1352 . 1 1 347 347 HIS H H 1 8.216 0.002 . . . . . . 348 HIS HN . 19740 1 1353 . 1 1 347 347 HIS CA C 13 55.564 0.000 . . . . . . 348 HIS CA . 19740 1 1354 . 1 1 347 347 HIS CB C 13 31.656 0.000 . . . . . . 348 HIS CB . 19740 1 1355 . 1 1 347 347 HIS N N 15 121.526 0.036 . . . . . . 348 HIS N . 19740 1 1356 . 1 1 348 348 THR C C 13 177.734 0.000 . . . . . . 349 THR C . 19740 1 1357 . 1 1 348 348 THR CA C 13 59.370 0.000 . . . . . . 349 THR CA . 19740 1 1358 . 1 1 348 348 THR CB C 13 68.468 0.000 . . . . . . 349 THR CB . 19740 1 1359 . 1 1 349 349 THR H H 1 11.774 0.002 . . . . . . 350 THR HN . 19740 1 1360 . 1 1 349 349 THR C C 13 173.385 0.000 . . . . . . 350 THR C . 19740 1 1361 . 1 1 349 349 THR CA C 13 66.359 0.006 . . . . . . 350 THR CA . 19740 1 1362 . 1 1 349 349 THR CB C 13 67.094 0.006 . . . . . . 350 THR CB . 19740 1 1363 . 1 1 349 349 THR N N 15 128.900 0.038 . . . . . . 350 THR N . 19740 1 1364 . 1 1 350 350 PHE H H 1 8.097 0.003 . . . . . . 351 PHE HN . 19740 1 1365 . 1 1 350 350 PHE C C 13 172.203 0.000 . . . . . . 351 PHE C . 19740 1 1366 . 1 1 350 350 PHE CA C 13 57.102 0.007 . . . . . . 351 PHE CA . 19740 1 1367 . 1 1 350 350 PHE CB C 13 40.939 0.037 . . . . . . 351 PHE CB . 19740 1 1368 . 1 1 350 350 PHE N N 15 114.561 0.038 . . . . . . 351 PHE N . 19740 1 1369 . 1 1 351 351 GLY H H 1 6.901 0.001 . . . . . . 352 GLY HN . 19740 1 1370 . 1 1 351 351 GLY C C 13 172.203 0.000 . . . . . . 352 GLY C . 19740 1 1371 . 1 1 351 351 GLY CA C 13 42.915 0.000 . . . . . . 352 GLY CA . 19740 1 1372 . 1 1 351 351 GLY N N 15 104.481 0.043 . . . . . . 352 GLY N . 19740 1 1373 . 1 1 352 352 HIS H H 1 7.829 0.001 . . . . . . 353 HIS HN . 19740 1 1374 . 1 1 352 352 HIS CA C 13 56.640 0.020 . . . . . . 353 HIS CA . 19740 1 1375 . 1 1 352 352 HIS CB C 13 33.235 0.010 . . . . . . 353 HIS CB . 19740 1 1376 . 1 1 352 352 HIS N N 15 118.002 0.014 . . . . . . 353 HIS N . 19740 1 1377 . 1 1 353 353 GLY H H 1 8.060 0.002 . . . . . . 354 GLY HN . 19740 1 1378 . 1 1 353 353 GLY C C 13 175.781 0.000 . . . . . . 354 GLY C . 19740 1 1379 . 1 1 353 353 GLY CA C 13 43.846 0.043 . . . . . . 354 GLY CA . 19740 1 1380 . 1 1 353 353 GLY N N 15 114.413 0.039 . . . . . . 354 GLY N . 19740 1 1381 . 1 1 354 354 SER H H 1 9.414 0.001 . . . . . . 355 SER HN . 19740 1 1382 . 1 1 354 354 SER C C 13 176.672 0.000 . . . . . . 355 SER C . 19740 1 1383 . 1 1 354 354 SER CA C 13 61.455 0.033 . . . . . . 355 SER CA . 19740 1 1384 . 1 1 354 354 SER CB C 13 62.571 0.021 . . . . . . 355 SER CB . 19740 1 1385 . 1 1 354 354 SER N N 15 119.930 0.029 . . . . . . 355 SER N . 19740 1 1386 . 1 1 355 355 HIS H H 1 8.549 0.002 . . . . . . 356 HIS HN . 19740 1 1387 . 1 1 355 355 HIS CA C 13 55.374 0.023 . . . . . . 356 HIS CA . 19740 1 1388 . 1 1 355 355 HIS CB C 13 27.097 0.009 . . . . . . 356 HIS CB . 19740 1 1389 . 1 1 355 355 HIS N N 15 119.295 0.039 . . . . . . 356 HIS N . 19740 1 1390 . 1 1 356 356 LEU H H 1 6.949 0.003 . . . . . . 357 LEU HN . 19740 1 1391 . 1 1 356 356 LEU CA C 13 61.669 0.000 . . . . . . 357 LEU CA . 19740 1 1392 . 1 1 356 356 LEU CB C 13 42.732 0.000 . . . . . . 357 LEU CB . 19740 1 1393 . 1 1 356 356 LEU N N 15 119.091 0.044 . . . . . . 357 LEU N . 19740 1 1394 . 1 1 358 358 LEU CA C 13 59.208 0.000 . . . . . . 359 LEU CA . 19740 1 1395 . 1 1 358 358 LEU CB C 13 32.118 0.000 . . . . . . 359 LEU CB . 19740 1 1396 . 1 1 359 359 GLY H H 1 7.073 0.002 . . . . . . 360 GLY HN . 19740 1 1397 . 1 1 359 359 GLY C C 13 173.604 0.012 . . . . . . 360 GLY C . 19740 1 1398 . 1 1 359 359 GLY CA C 13 43.645 0.007 . . . . . . 360 GLY CA . 19740 1 1399 . 1 1 359 359 GLY N N 15 105.808 0.049 . . . . . . 360 GLY N . 19740 1 1400 . 1 1 360 360 GLN H H 1 8.683 0.001 . . . . . . 361 GLN HN . 19740 1 1401 . 1 1 360 360 GLN C C 13 178.207 0.009 . . . . . . 361 GLN C . 19740 1 1402 . 1 1 360 360 GLN CA C 13 59.373 0.050 . . . . . . 361 GLN CA . 19740 1 1403 . 1 1 360 360 GLN CB C 13 29.136 0.013 . . . . . . 361 GLN CB . 19740 1 1404 . 1 1 360 360 GLN N N 15 118.107 0.030 . . . . . . 361 GLN N . 19740 1 1405 . 1 1 361 361 HIS H H 1 7.040 0.003 . . . . . . 362 HIS HN . 19740 1 1406 . 1 1 361 361 HIS CA C 13 55.519 0.009 . . . . . . 362 HIS CA . 19740 1 1407 . 1 1 361 361 HIS CB C 13 40.042 0.064 . . . . . . 362 HIS CB . 19740 1 1408 . 1 1 361 361 HIS N N 15 115.340 0.051 . . . . . . 362 HIS N . 19740 1 1409 . 1 1 362 362 LEU H H 1 7.088 0.002 . . . . . . 363 LEU HN . 19740 1 1410 . 1 1 362 362 LEU C C 13 175.158 0.000 . . . . . . 363 LEU C . 19740 1 1411 . 1 1 362 362 LEU CA C 13 54.062 0.000 . . . . . . 363 LEU CA . 19740 1 1412 . 1 1 362 362 LEU CB C 13 44.221 0.000 . . . . . . 363 LEU CB . 19740 1 1413 . 1 1 362 362 LEU N N 15 118.733 0.039 . . . . . . 363 LEU N . 19740 1 1414 . 1 1 369 369 VAL H H 1 8.827 0.002 . . . . . . 370 VAL HN . 19740 1 1415 . 1 1 369 369 VAL C C 13 174.266 0.015 . . . . . . 370 VAL C . 19740 1 1416 . 1 1 369 369 VAL CA C 13 54.590 0.004 . . . . . . 370 VAL CA . 19740 1 1417 . 1 1 369 369 VAL CB C 13 34.919 0.000 . . . . . . 370 VAL CB . 19740 1 1418 . 1 1 369 369 VAL N N 15 118.790 0.042 . . . . . . 370 VAL N . 19740 1 1419 . 1 1 370 370 THR H H 1 8.823 0.002 . . . . . . 371 THR HN . 19740 1 1420 . 1 1 370 370 THR C C 13 173.475 0.000 . . . . . . 371 THR C . 19740 1 1421 . 1 1 370 370 THR CA C 13 54.920 0.000 . . . . . . 371 THR CA . 19740 1 1422 . 1 1 370 370 THR CB C 13 65.390 0.000 . . . . . . 371 THR CB . 19740 1 1423 . 1 1 370 370 THR N N 15 117.207 0.044 . . . . . . 371 THR N . 19740 1 1424 . 1 1 374 374 TRP C C 13 178.235 0.003 . . . . . . 375 TRP C . 19740 1 1425 . 1 1 374 374 TRP CA C 13 63.025 0.009 . . . . . . 375 TRP CA . 19740 1 1426 . 1 1 374 374 TRP CB C 13 31.046 0.000 . . . . . . 375 TRP CB . 19740 1 1427 . 1 1 380 380 ASP H H 1 8.170 0.002 . . . . . . 381 ASP HN . 19740 1 1428 . 1 1 380 380 ASP C C 13 174.341 0.016 . . . . . . 381 ASP C . 19740 1 1429 . 1 1 380 380 ASP CA C 13 52.862 0.018 . . . . . . 381 ASP CA . 19740 1 1430 . 1 1 380 380 ASP CB C 13 42.618 0.007 . . . . . . 381 ASP CB . 19740 1 1431 . 1 1 380 380 ASP N N 15 116.360 0.044 . . . . . . 381 ASP N . 19740 1 1432 . 1 1 381 381 PHE H H 1 6.652 0.002 . . . . . . 382 PHE HN . 19740 1 1433 . 1 1 381 381 PHE C C 13 172.010 0.000 . . . . . . 382 PHE C . 19740 1 1434 . 1 1 381 381 PHE CA C 13 54.958 0.000 . . . . . . 382 PHE CA . 19740 1 1435 . 1 1 381 381 PHE CB C 13 39.264 0.000 . . . . . . 382 PHE CB . 19740 1 1436 . 1 1 381 381 PHE N N 15 118.871 0.042 . . . . . . 382 PHE N . 19740 1 1437 . 1 1 382 382 SER C C 13 173.486 0.000 . . . . . . 383 SER C . 19740 1 1438 . 1 1 382 382 SER CA C 13 56.544 0.000 . . . . . . 383 SER CA . 19740 1 1439 . 1 1 382 382 SER CB C 13 66.537 0.000 . . . . . . 383 SER CB . 19740 1 1440 . 1 1 383 383 ILE H H 1 8.556 0.002 . . . . . . 384 ILE HN . 19740 1 1441 . 1 1 383 383 ILE C C 13 177.020 0.014 . . . . . . 384 ILE C . 19740 1 1442 . 1 1 383 383 ILE CA C 13 60.321 0.030 . . . . . . 384 ILE CA . 19740 1 1443 . 1 1 383 383 ILE CB C 13 35.935 0.021 . . . . . . 384 ILE CB . 19740 1 1444 . 1 1 383 383 ILE N N 15 122.352 0.040 . . . . . . 384 ILE N . 19740 1 1445 . 1 1 384 384 ALA H H 1 8.224 0.002 . . . . . . 385 ALA HN . 19740 1 1446 . 1 1 384 384 ALA C C 13 175.119 0.000 . . . . . . 385 ALA C . 19740 1 1447 . 1 1 384 384 ALA CA C 13 50.750 0.000 . . . . . . 385 ALA CA . 19740 1 1448 . 1 1 384 384 ALA CB C 13 17.012 0.000 . . . . . . 385 ALA CB . 19740 1 1449 . 1 1 384 384 ALA N N 15 131.446 0.039 . . . . . . 385 ALA N . 19740 1 1450 . 1 1 386 386 GLY C C 13 174.089 0.005 . . . . . . 387 GLY C . 19740 1 1451 . 1 1 386 386 GLY CA C 13 44.907 0.000 . . . . . . 387 GLY CA . 19740 1 1452 . 1 1 387 387 ALA H H 1 7.669 0.002 . . . . . . 388 ALA HN . 19740 1 1453 . 1 1 387 387 ALA C C 13 177.067 0.009 . . . . . . 388 ALA C . 19740 1 1454 . 1 1 387 387 ALA CA C 13 52.187 0.009 . . . . . . 388 ALA CA . 19740 1 1455 . 1 1 387 387 ALA CB C 13 18.977 0.002 . . . . . . 388 ALA CB . 19740 1 1456 . 1 1 387 387 ALA N N 15 123.632 0.030 . . . . . . 388 ALA N . 19740 1 1457 . 1 1 388 388 GLN H H 1 8.489 0.004 . . . . . . 389 GLN HN . 19740 1 1458 . 1 1 388 388 GLN C C 13 174.984 0.005 . . . . . . 389 GLN C . 19740 1 1459 . 1 1 388 388 GLN CA C 13 53.852 0.057 . . . . . . 389 GLN CA . 19740 1 1460 . 1 1 388 388 GLN CB C 13 29.008 0.019 . . . . . . 389 GLN CB . 19740 1 1461 . 1 1 388 388 GLN N N 15 122.285 0.039 . . . . . . 389 GLN N . 19740 1 1462 . 1 1 389 389 ILE H H 1 8.628 0.001 . . . . . . 390 ILE HN . 19740 1 1463 . 1 1 389 389 ILE C C 13 175.996 0.010 . . . . . . 390 ILE C . 19740 1 1464 . 1 1 389 389 ILE CA C 13 58.933 0.007 . . . . . . 390 ILE CA . 19740 1 1465 . 1 1 389 389 ILE CB C 13 34.511 0.008 . . . . . . 390 ILE CB . 19740 1 1466 . 1 1 389 389 ILE N N 15 126.412 0.037 . . . . . . 390 ILE N . 19740 1 1467 . 1 1 390 390 GLN H H 1 9.617 0.002 . . . . . . 391 GLN HN . 19740 1 1468 . 1 1 390 390 GLN C C 13 174.773 0.036 . . . . . . 391 GLN C . 19740 1 1469 . 1 1 390 390 GLN CA C 13 54.121 0.035 . . . . . . 391 GLN CA . 19740 1 1470 . 1 1 390 390 GLN CB C 13 30.426 0.025 . . . . . . 391 GLN CB . 19740 1 1471 . 1 1 390 390 GLN N N 15 129.519 0.039 . . . . . . 391 GLN N . 19740 1 1472 . 1 1 391 391 HIS H H 1 8.938 0.001 . . . . . . 392 HIS HN . 19740 1 1473 . 1 1 391 391 HIS CA C 13 52.566 0.009 . . . . . . 392 HIS CA . 19740 1 1474 . 1 1 391 391 HIS CB C 13 34.412 0.008 . . . . . . 392 HIS CB . 19740 1 1475 . 1 1 391 391 HIS N N 15 124.876 0.043 . . . . . . 392 HIS N . 19740 1 1476 . 1 1 392 392 LYS H H 1 8.976 0.002 . . . . . . 393 LYS HN . 19740 1 1477 . 1 1 392 392 LYS C C 13 174.490 0.005 . . . . . . 393 LYS C . 19740 1 1478 . 1 1 392 392 LYS CA C 13 54.798 0.016 . . . . . . 393 LYS CA . 19740 1 1479 . 1 1 392 392 LYS CB C 13 35.459 0.019 . . . . . . 393 LYS CB . 19740 1 1480 . 1 1 392 392 LYS N N 15 119.385 0.048 . . . . . . 393 LYS N . 19740 1 1481 . 1 1 393 393 SER H H 1 8.966 0.002 . . . . . . 394 SER HN . 19740 1 1482 . 1 1 393 393 SER C C 13 173.683 0.001 . . . . . . 394 SER C . 19740 1 1483 . 1 1 393 393 SER CA C 13 55.218 0.054 . . . . . . 394 SER CA . 19740 1 1484 . 1 1 393 393 SER CB C 13 65.326 0.003 . . . . . . 394 SER CB . 19740 1 1485 . 1 1 393 393 SER N N 15 117.586 0.037 . . . . . . 394 SER N . 19740 1 1486 . 1 1 394 394 GLY H H 1 7.085 0.002 . . . . . . 395 GLY HN . 19740 1 1487 . 1 1 394 394 GLY C C 13 171.749 0.006 . . . . . . 395 GLY C . 19740 1 1488 . 1 1 394 394 GLY CA C 13 45.732 0.004 . . . . . . 395 GLY CA . 19740 1 1489 . 1 1 394 394 GLY N N 15 110.613 0.044 . . . . . . 395 GLY N . 19740 1 1490 . 1 1 395 395 ILE H H 1 8.374 0.002 . . . . . . 396 ILE HN . 19740 1 1491 . 1 1 395 395 ILE C C 13 176.454 0.002 . . . . . . 396 ILE C . 19740 1 1492 . 1 1 395 395 ILE CA C 13 61.691 0.037 . . . . . . 396 ILE CA . 19740 1 1493 . 1 1 395 395 ILE CB C 13 36.471 0.017 . . . . . . 396 ILE CB . 19740 1 1494 . 1 1 395 395 ILE N N 15 124.829 0.024 . . . . . . 396 ILE N . 19740 1 1495 . 1 1 396 396 VAL H H 1 6.366 0.002 . . . . . . 397 VAL HN . 19740 1 1496 . 1 1 396 396 VAL C C 13 177.416 0.007 . . . . . . 397 VAL C . 19740 1 1497 . 1 1 396 396 VAL CA C 13 60.849 0.012 . . . . . . 397 VAL CA . 19740 1 1498 . 1 1 396 396 VAL CB C 13 34.334 0.025 . . . . . . 397 VAL CB . 19740 1 1499 . 1 1 396 396 VAL N N 15 113.401 0.036 . . . . . . 397 VAL N . 19740 1 1500 . 1 1 397 397 SER H H 1 8.673 0.002 . . . . . . 398 SER HN . 19740 1 1501 . 1 1 397 397 SER C C 13 172.413 0.002 . . . . . . 398 SER C . 19740 1 1502 . 1 1 397 397 SER CA C 13 61.243 0.067 . . . . . . 398 SER CA . 19740 1 1503 . 1 1 397 397 SER CB C 13 63.791 0.010 . . . . . . 398 SER CB . 19740 1 1504 . 1 1 397 397 SER N N 15 125.931 0.042 . . . . . . 398 SER N . 19740 1 1505 . 1 1 398 398 GLY H H 1 8.957 0.002 . . . . . . 399 GLY HN . 19740 1 1506 . 1 1 398 398 GLY C C 13 171.572 0.013 . . . . . . 399 GLY C . 19740 1 1507 . 1 1 398 398 GLY CA C 13 44.997 0.009 . . . . . . 399 GLY CA . 19740 1 1508 . 1 1 398 398 GLY N N 15 102.308 0.043 . . . . . . 399 GLY N . 19740 1 1509 . 1 1 399 399 VAL H H 1 7.092 0.002 . . . . . . 400 VAL HN . 19740 1 1510 . 1 1 399 399 VAL C C 13 176.433 0.007 . . . . . . 400 VAL C . 19740 1 1511 . 1 1 399 399 VAL CA C 13 60.681 0.033 . . . . . . 400 VAL CA . 19740 1 1512 . 1 1 399 399 VAL CB C 13 33.039 0.005 . . . . . . 400 VAL CB . 19740 1 1513 . 1 1 399 399 VAL N N 15 118.006 0.026 . . . . . . 400 VAL N . 19740 1 1514 . 1 1 400 400 GLN H H 1 8.827 0.378 . . . . . . 401 GLN HN . 19740 1 1515 . 1 1 400 400 GLN HE21 H 1 6.900 0.000 . . . . . . 401 GLN HE21 . 19740 1 1516 . 1 1 400 400 GLN HE22 H 1 7.460 0.000 . . . . . . 401 GLN HE22 . 19740 1 1517 . 1 1 400 400 GLN C C 13 175.470 0.018 . . . . . . 401 GLN C . 19740 1 1518 . 1 1 400 400 GLN CA C 13 59.070 0.002 . . . . . . 401 GLN CA . 19740 1 1519 . 1 1 400 400 GLN CB C 13 28.678 0.012 . . . . . . 401 GLN CB . 19740 1 1520 . 1 1 400 400 GLN N N 15 125.604 0.038 . . . . . . 401 GLN N . 19740 1 1521 . 1 1 400 400 GLN NE2 N 15 112.938 0.139 . . . . . . 401 GLN NE2 . 19740 1 1522 . 1 1 401 401 ALA H H 1 7.378 0.002 . . . . . . 402 ALA HN . 19740 1 1523 . 1 1 401 401 ALA C C 13 175.449 0.000 . . . . . . 402 ALA C . 19740 1 1524 . 1 1 401 401 ALA CA C 13 51.807 0.037 . . . . . . 402 ALA CA . 19740 1 1525 . 1 1 401 401 ALA CB C 13 20.839 0.003 . . . . . . 402 ALA CB . 19740 1 1526 . 1 1 401 401 ALA N N 15 117.417 0.038 . . . . . . 402 ALA N . 19740 1 1527 . 1 1 402 402 LEU H H 1 8.725 0.002 . . . . . . 403 LEU HN . 19740 1 1528 . 1 1 402 402 LEU C C 13 170.507 0.000 . . . . . . 403 LEU C . 19740 1 1529 . 1 1 402 402 LEU CB C 13 43.034 0.000 . . . . . . 403 LEU CB . 19740 1 1530 . 1 1 402 402 LEU N N 15 119.784 0.038 . . . . . . 403 LEU N . 19740 1 1531 . 1 1 408 408 PRO C C 13 178.259 0.020 . . . . . . 409 PRO C . 19740 1 1532 . 1 1 408 408 PRO CA C 13 64.734 0.017 . . . . . . 409 PRO CA . 19740 1 1533 . 1 1 408 408 PRO CB C 13 31.883 0.000 . . . . . . 409 PRO CB . 19740 1 1534 . 1 1 409 409 ALA H H 1 8.687 0.002 . . . . . . 410 ALA HN . 19740 1 1535 . 1 1 409 409 ALA C C 13 178.726 0.020 . . . . . . 410 ALA C . 19740 1 1536 . 1 1 409 409 ALA CA C 13 54.021 0.010 . . . . . . 410 ALA CA . 19740 1 1537 . 1 1 409 409 ALA CB C 13 17.621 0.024 . . . . . . 410 ALA CB . 19740 1 1538 . 1 1 409 409 ALA N N 15 121.400 0.038 . . . . . . 410 ALA N . 19740 1 1539 . 1 1 410 410 THR H H 1 8.161 0.003 . . . . . . 411 THR HN . 19740 1 1540 . 1 1 410 410 THR C C 13 174.676 0.004 . . . . . . 411 THR C . 19740 1 1541 . 1 1 410 410 THR CA C 13 61.509 0.023 . . . . . . 411 THR CA . 19740 1 1542 . 1 1 410 410 THR CB C 13 69.807 0.017 . . . . . . 411 THR CB . 19740 1 1543 . 1 1 410 410 THR N N 15 108.153 0.038 . . . . . . 411 THR N . 19740 1 1544 . 1 1 411 411 THR H H 1 7.318 0.002 . . . . . . 412 THR HN . 19740 1 1545 . 1 1 411 411 THR C C 13 174.004 0.058 . . . . . . 412 THR C . 19740 1 1546 . 1 1 411 411 THR CA C 13 60.434 0.003 . . . . . . 412 THR CA . 19740 1 1547 . 1 1 411 411 THR CB C 13 70.888 0.014 . . . . . . 412 THR CB . 19740 1 1548 . 1 1 411 411 THR N N 15 112.844 0.034 . . . . . . 412 THR N . 19740 1 1549 . 1 1 412 412 LYS H H 1 8.985 0.002 . . . . . . 413 LYS HN . 19740 1 1550 . 1 1 412 412 LYS C C 13 173.916 0.002 . . . . . . 413 LYS C . 19740 1 1551 . 1 1 412 412 LYS CA C 13 54.839 0.006 . . . . . . 413 LYS CA . 19740 1 1552 . 1 1 412 412 LYS CB C 13 33.887 0.005 . . . . . . 413 LYS CB . 19740 1 1553 . 1 1 412 412 LYS N N 15 120.839 0.039 . . . . . . 413 LYS N . 19740 1 1554 . 1 1 413 413 ALA H H 1 8.068 0.002 . . . . . . 414 ALA HN . 19740 1 1555 . 1 1 413 413 ALA C C 13 177.211 0.005 . . . . . . 414 ALA C . 19740 1 1556 . 1 1 413 413 ALA CA C 13 50.995 0.011 . . . . . . 414 ALA CA . 19740 1 1557 . 1 1 413 413 ALA CB C 13 18.316 0.007 . . . . . . 414 ALA CB . 19740 1 1558 . 1 1 413 413 ALA N N 15 125.210 0.036 . . . . . . 414 ALA N . 19740 1 1559 . 1 1 414 414 VAL H H 1 7.992 0.002 . . . . . . 415 VAL HN . 19740 1 1560 . 1 1 414 414 VAL C C 13 181.092 0.000 . . . . . . 415 VAL C . 19740 1 1561 . 1 1 414 414 VAL CA C 13 63.640 0.000 . . . . . . 415 VAL CA . 19740 1 1562 . 1 1 414 414 VAL CB C 13 32.650 0.000 . . . . . . 415 VAL CB . 19740 1 1563 . 1 1 414 414 VAL N N 15 126.887 0.038 . . . . . . 415 VAL N . 19740 1 stop_ save_